Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_000
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=2.855324894189835
cohesive_energy=4.1227593179916635
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: 0.014457459520076805
Energy: 0.015078787350165598
Energy: 0.01473495763278239
Energy: 1.4282867261972518
Energy: 0.014734957632308459
Energy: 0.01507878734924406
Energy: 0.014457459520313768
Energy: 0.01507878734924406
Energy: 0.014734957633019359
Energy: 1.4282867261974888
Energy: 0.6736934771902338
Energy: 0.015530053530102244
Energy: 0.016818005346476976
Energy: 0.6633603005623439
Energy: 0.01681800534668761
Energy: 0.015530053530102244
Energy: 0.6736934771893124
Energy: 0.015530053531023779
Energy: 0.01681800534624001
Energy: 0.6633603005625547
Energy: 0.014457459520313768
Energy: 0.015078787350402564
Energy: 0.01473495763278239
Energy: 1.4282867261977257
Energy: 0.014734957632308459
Energy: 0.015078787349454698
Energy: 0.014457459519839838
Energy: 0.015078787349928631
Energy: 0.014734957633019359
Energy: 1.4282867261979626
Energy: 0.6736934771899968
Energy: 0.015530053530102244
Energy: 0.01681800534624001
Energy: 0.6633603005621072
Energy: 0.01681800534668761
Energy: 0.015530053530549847
Energy: 0.6736934771906814
Energy: 0.01553005353033921
Energy: 0.016818005346924576
Energy: 0.6633603005627916
Energy: 0.0144574595189183
Energy: 0.015078787349691664
Energy: 0.014734957632071494
Energy: 1.4282867261956458
Energy: 0.014734957633466961
Energy: 0.015078787349454698
Energy: 0.0144574595189183
Energy: 0.015078787349691664
Energy: 0.01473495763278239
Energy: 1.4282867261998056
Energy: 0.6736934771902338
Energy: 0.015530053529865277
Energy: 0.016818005346003043
Energy: 0.6633603005623439
Energy: 0.01681800534668761
Energy: 0.01553005353033921
Energy: 0.6736934771899968
Energy: 0.01553005353033921
Energy: 0.01681800534624001
Energy: 0.6633603005630286
Energy: 0.014457459520313768
Energy: 0.015078787350165598
Energy: 0.014734957633019359
Energy: 1.7378764362285948
Energy: 0.014734957633229994
Energy: 0.015078787349928631
Energy: 0.014457459520076805
Energy: 0.015078787349691664
Energy: 0.014734957632308459
Energy: 1.4282867261981997

minimum gb energy = 0.0144574595189183 eV
minimum distance =  2.28389867324651 Angstroms
sigma value = 3


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

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Energy: 1.4105085776142634
Energy: 1.4497218036390693
Energy: 1.391640252183554
Energy: 1.4372922487205513
Energy: 1.3456382625668488
Energy: 1.4956978010279678
Energy: 1.4105085776153985
Energy: 1.449721803639637
Energy: 1.3916402521812843
Energy: 1.3956047946029824
Energy: 1.2890985346675388
Energy: 1.4336118510094547
Energy: 1.5442572297897623
Energy: 1.3451757918288774
Energy: 1.3051834700730478
Energy: 1.3956047946035501
Energy: 1.2890985346686739
Energy: 1.433611851006617
Energy: 1.544257229787492
Energy: 1.3662445421129892
Energy: 1.295535405801774
Energy: 1.3050139451608562
Energy: 1.3118906276132094
Energy: 1.4121382697360192
Energy: 1.366847285944055
Energy: 1.366244542116962
Energy: 1.3053149044946206
Energy: 1.3050139451682345
Energy: 1.3118906276132094
Energy: 1.3611747996163686
Energy: 1.2887840589843116
Energy: 1.2761795309684252
Energy: 1.3166081274818537
Energy: 1.2731399178709024
Energy: 1.3186665948739802
Energy: 1.3611747996089907
Energy: 1.2887840589843116
Energy: 1.2761795309729658
Energy: 1.3166081274795833
Energy: 1.2917300574575938
Energy: 1.2886238987026635
Energy: 1.2750816950677806
Energy: 1.280974505697989
Energy: 1.289858243061004
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Energy: 1.2917300574507835
Energy: 1.2886238987094742
Energy: 1.2750816950672128
Energy: 1.2809745057036648
Energy: 1.4326638739620896
Energy: 1.3231815594670155
Energy: 1.288347368550957
Energy: 1.2523150763542108
Energy: 1.3141295758027018
Energy: 1.3102106303243648
Energy: 1.4326638739626572
Energy: 1.3231815594619079
Energy: 1.2883473685469842
Energy: 1.2523150763224793
Energy: 1.3099086179983443
Energy: 1.2778179724274021
Energy: 1.3465379050524895
Energy: 1.3293348001863046
Energy: 1.3518700133932795
Energy: 1.4599362744598432
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Energy: 1.3293348001874397
Energy: 1.453393857668747
Energy: 1.449907774767612
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Energy: 1.3117164714433827
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Energy: 1.4533938576602854
Energy: 1.4499077747715847
Energy: 1.312484431160123
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Energy: 1.3349091938488271
Energy: 1.4281837881933097
Energy: 1.3505783713486148
Energy: 1.4323721123911861
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Energy: 1.4281837881859314
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Energy: 1.4323721123911861
Energy: 1.3504264335428682
Energy: 1.408344860166534
Energy: 1.3977203151082982
Energy: 1.4758415197395256
Energy: 1.2892723350080337
Energy: 1.4640142610152216
Energy: 1.3990175573609889
Energy: 1.4083448601614263
Energy: 1.3977203151111357
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Energy: 1.2959687429907056
Energy: 1.3411105074657248
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Energy: 1.3281678294341244
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Energy: 1.3227391223411236
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Energy: 1.2995175433436412
Energy: 1.2910901317301153
Energy: 1.3340101150978314
Energy: 1.2989796209858948
Energy: 1.2520050875803062
Energy: 1.3141215529117585
Energy: 1.3136542937355824
Energy: 1.4280672880451202
Energy: 1.334010115099534
Energy: 1.2989796209824895
Energy: 1.2520050875910895
Energy: 1.3141215529111911
Energy: 1.3111312835978945
Energy: 1.343300118750599
Energy: 1.3464466432224989
Energy: 1.3982359991133935
Energy: 1.3387378622984532
Energy: 1.3143273938583302
Energy: 1.3111312835944893
Energy: 1.3433001187483289
Energy: 1.3464466432304445
Energy: 1.3982359991105555
Energy: 1.504033562766969
Energy: 1.2865796050497393
Energy: 1.4091437299563867
Energy: 1.3231635645338988
Energy: 1.464579861266165
Energy: 1.3994173213548786
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Energy: 1.409143729955819
Energy: 1.3231635645231155
Energy: 1.4573006254189067
Energy: 1.39291215754159
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Energy: 1.4155763360061355
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Energy: 1.4290682515137798
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Energy: 1.3116534724351732
Energy: 1.3267056144169
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Energy: 1.262469731928822
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Energy: 1.3116534724368756
Energy: 1.3267056144180351
Energy: 1.4374241926965363
Energy: 1.2624697319787666
Energy: 1.3124562094469157
Energy: 1.4120757067055256
Energy: 1.2841482264583413
Energy: 1.284212971524552
Energy: 1.3534975704847139
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Energy: 1.3124562094548617
Energy: 1.412075706706661
Energy: 1.2841482264679895
Energy: 1.2842129715200117
Energy: 1.2589266038825597
Energy: 1.2883518144747608
Energy: 1.3811053109790818
Energy: 1.4393557832709976
Energy: 1.3082175171906323
Energy: 1.2935982604116085
Energy: 1.2589266038865325
Energy: 1.2883518144736257
Energy: 1.3811053109819194
Energy: 1.4393557832709976
Energy: 1.2815371500855672
Energy: 1.2748635065862768
Energy: 1.2876090854775275
Energy: 1.2917601053764125
Energy: 1.3650433736709462
Energy: 1.3739561887116305
Energy: 1.2815371500844321
Energy: 1.274863506588547
Energy: 1.287609085467312
Energy: 1.2917601053735746
Energy: 1.3031867845942338
Energy: 1.2853293177963914
Energy: 1.2714728059177423
Energy: 1.468495566863014
Energy: 1.3089296827745758
Energy: 1.2741394055698758
Energy: 1.3031867845891258
Energy: 1.2853293177912832
Energy: 1.271472805919445
Energy: 1.4684955668624469
Energy: 1.308487724590081
Energy: 1.304042634925036
Energy: 1.3315802584112586
Energy: 1.3658316222560596
Energy: 1.4017673445516834
Energy: 1.4335579688217222
Energy: 1.3084877245923512
Energy: 1.3040426349233334
Energy: 1.2938908829952094
Energy: 1.3658316222623024
Energy: 1.3856740713958366
Energy: 1.4284597047367946
Energy: 1.327900483050632
Energy: 1.4397727121456096
Energy: 1.2994856663376162
Energy: 1.3317739720676813
Energy: 1.385674071395269
Energy: 1.4284597047328218
Energy: 1.327900483048362
Energy: 1.4397727121461772
Energy: 1.3910786830099493
Energy: 1.4386630732363817
Energy: 1.3661444425775464
Energy: 1.4660843274007973
Energy: 1.4105085785264677
Energy: 1.4497218036617712
Energy: 1.3910786830076793
Energy: 1.4386630732318417
Energy: 1.3661444425849247
Energy: 1.4660843274007973
Energy: 1.5442572297886272
Energy: 1.3451757918277423
Energy: 1.3051834700792906
Energy: 1.3956047946035501
Energy: 1.2890985346584583
Energy: 1.4336118510083196
Energy: 1.544257229787492
Energy: 1.3451757918300127
Energy: 1.3051834700758853
Energy: 1.3956047946029824
Energy: 1.3084877245883784
Energy: 1.4121382697365867
Energy: 1.339641981254148
Energy: 1.3662445421112863
Energy: 1.3096310923761294
Energy: 1.3050139451710205
Energy: 1.308487724590081
Energy: 1.4121382697371543
Energy: 1.3668472859417848
Energy: 1.3662445421061786
Energy: 1.3166081274818537
Energy: 1.273139917874308
Energy: 1.3186390427881334
Energy: 1.3611747996231793
Energy: 1.288784058984879
Energy: 1.2761795309718307
Energy: 1.3166081274767456
Energy: 1.2731399178709024
Energy: 1.318639042783593
Energy: 1.3611747996265846

minimum gb energy = 1.2520050875803062 eV
minimum distance =  2.22032062910056 Angstroms
sigma value = 75


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

Energy: 1.6158280343080131
Energy: 1.4502931713872473
Energy: 1.4252547064062138
Energy: 1.3941276886438094
Energy: 1.4340256306212797
Energy: 1.5497558911574614
Energy: 1.6158280343057976
Energy: 1.4502931713878011
Energy: 1.4252547072048187
Energy: 1.441390427726002
Energy: 1.3990811707661985
Energy: 1.434963483762323
Energy: 1.4448832146016615
Energy: 1.527720903896089
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Energy: 1.429297721590674
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Energy: 1.3491344837952808
Energy: 1.3478035936781385
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Energy: 1.4773577975949213
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Energy: 1.3392961276232005
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Energy: 1.3326763704085847
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Energy: 1.4773577975946444
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Energy: 1.489484487693746
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Energy: 1.452922919886231
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Energy: 1.5909327461345713
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minimum gb energy = 1.3239093126061166 eV
minimum distance =  2.20819516288156 Angstroms
sigma value = 105


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

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Energy: 1.4226476191310307
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Energy: 1.3998346426018624
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Energy: 1.390992420370483
Energy: 1.4278926005756347
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Energy: 1.3938356344671445
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Energy: 1.5671401598303987
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Energy: 1.4278926005731352
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Energy: 1.3338256367256558
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Energy: 1.3149218316698987
Energy: 1.478277769357993
Energy: 1.3338256367215946
Energy: 1.3191669943011168
Energy: 1.4167605437830093
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Energy: 1.3195951819199352
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Energy: 1.4794763615357824
Energy: 1.3157599521184837
Energy: 1.4301296367605847
Energy: 1.4521513593813875
Energy: 1.3195951819168108
Energy: 1.3193271470774552
Energy: 1.4794763615389068
Energy: 1.315759952120983
Energy: 1.5641507533491734
Energy: 1.3828321997465134
Energy: 1.3185623694679969
Energy: 1.3576143283305764
Energy: 1.416285308777214
Energy: 1.3525684320857783
Energy: 1.56415075335261
Energy: 1.382832199751512
Energy: 1.3185623694661224
Energy: 1.3576143283249527
Energy: 1.4315764600735732
Energy: 1.3834005536893386
Energy: 1.5361660197276192
Energy: 1.411197046696694
Energy: 1.3798954585452647
Energy: 1.4263854131151212
Energy: 1.4315764600738856
Energy: 1.3834005536927751
Energy: 1.536166019729181
Energy: 1.4111970466985688
Energy: 1.408145201028018
Energy: 1.3529680468033398
Energy: 1.4094012273607675
Energy: 1.3554988030917963
Energy: 1.4276293964199656
Energy: 1.3896328142378278
Energy: 1.408145201028018
Energy: 1.3529680468027148
Energy: 1.4094012273623293
Energy: 1.3554988030914839
Energy: 1.3269401832751124
Energy: 1.3566169532583208
Energy: 1.4057218453630818
Energy: 1.3160934856308082
Energy: 1.4904222246349939
Energy: 1.3168210355909262
Energy: 1.3269401832776118
Energy: 1.3566169532576962
Energy: 1.4057218453649565
Energy: 1.3160934856311204
Energy: 1.319769397704913
Energy: 1.3891244211443947
Energy: 1.3579804363988237
Energy: 1.368436677269416
Energy: 1.3292764958145282
Energy: 1.3201202774585947
Energy: 1.319769397708662
Energy: 1.389124421145332
Energy: 1.3579804364006982
Energy: 1.3684366772669165
Energy: 1.5243941927636073
Energy: 1.3795346758175304
Energy: 1.359081986694099
Energy: 1.4001306028833338
Energy: 1.3796126122460435
Energy: 1.5243848698825233
Energy: 1.5243941927661067
Energy: 1.3795346758147187
Energy: 1.3590819866956614
Energy: 1.400130602882709

minimum gb energy = 1.3016237670199267 eV
minimum distance =  2.23164265236521 Angstroms
sigma value = 165


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

Energy: 1.3639414191703698
Energy: 1.600584100905197
Energy: 1.3205867466770436
Energy: 1.3962612727605341
Energy: 1.3204440587233888
Energy: 1.6005654450079094
Energy: 1.3639414191639345
Energy: 1.600584100905197
Energy: 1.3205867466770436
Energy: 1.3962612404842374
Energy: 1.3172666514708018
Energy: 1.3248409390114442
Energy: 1.324539365261543
Energy: 1.3695676384247224
Energy: 1.2385694170990633
Energy: 1.2588107811635625
Energy: 1.3172666514708018
Energy: 1.3248409390114442
Energy: 1.3245393652604704
Energy: 1.3695676384215048
Energy: 1.2619892572657847
Energy: 1.4532041528827135
Energy: 1.3530614429854069
Energy: 1.2596522589677521
Energy: 1.3369471736224436
Energy: 1.3869557106487225
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Energy: 1.296334103506649
Energy: 1.3365298950663904
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Energy: 1.2576568223916513
Energy: 1.4528456365680846
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Energy: 1.5624857959688585
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Energy: 1.3426356547869185
Energy: 1.2579137410306043
Energy: 1.2823976454630404
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Energy: 1.2423956422280735
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Energy: 1.3194218439815668
Energy: 1.3157784695668806
Energy: 1.2823976454619677
Energy: 1.261418692257209
Energy: 1.2423956422259281
Energy: 1.3594459155397236
Energy: 1.3602912915174339
Energy: 1.3090889422575889
Energy: 1.3185122533479687
Energy: 1.326343103840812
Energy: 1.33926795314859
Energy: 1.599697769383149
Energy: 1.360291291514216
Energy: 1.3090889422436456
Energy: 1.3185122533468965
Energy: 1.3263431038451021
Energy: 1.3580512996439569
Energy: 1.290940862166938
Energy: 1.3422137232559916
Energy: 1.452895979974733
Energy: 1.3376781970645442
Energy: 1.2604776885539162
Energy: 1.3580512996450294
Energy: 1.2909408620233118
Energy: 1.3422137232592095
Energy: 1.452895979972588
Energy: 1.2576447683955514
Energy: 1.3945175000427492
Energy: 1.3366634141618017
Energy: 1.2967264483448402
Energy: 1.2385646742892986
Energy: 1.2581556009677066
Energy: 1.2576447683955514
Energy: 1.3945175000416767
Energy: 1.336663414160729
Energy: 1.2967264483426948
Energy: 1.2586685631341514
Energy: 1.3530614429854069
Energy: 1.453274086385183
Energy: 1.2619958748687576
Energy: 1.3869557106508676
Energy: 1.3338391946506638
Energy: 1.2586685631266434
Energy: 1.3530614429843344
Energy: 1.453274086385183
Energy: 1.2619958748687576
Energy: 1.3686593234370177
Energy: 1.3245243617658122
Energy: 1.3250484321476126
Energy: 1.317368606464942
Energy: 1.2587424148807016
Energy: 1.238509196500023
Energy: 1.3686593234359452
Energy: 1.3245243617658122
Energy: 1.3250484338061386
Energy: 1.3173686064670869
Energy: 1.3953611974476812
Energy: 1.3204440587233888
Energy: 1.6005654450089821
Energy: 1.3639414191682246
Energy: 1.6005841009105357
Energy: 1.3205867466748986
Energy: 1.395361203211253
Energy: 1.3204440587223165
Energy: 1.600565445011127
Energy: 1.3639414191703698

minimum gb energy = 1.238509196500023 eV
minimum distance =  2.21748720755809 Angstroms
sigma value = 41


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

Energy: 1.6210097999350372
Energy: 1.235347316813836
Energy: 1.1201201815064572
Energy: 1.5012376759070818
Energy: 1.1220907229661283
Energy: 1.2334252011861346
Energy: 1.621009799936702
Energy: 1.2353473168125877
Energy: 1.1201201815043764
Energy: 1.4875396800133442
Energy: 1.2136738516816061
Energy: 1.2390180580693029
Energy: 1.1186931737495724
Energy: 1.2113129592565992
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Energy: 1.228637616308899
Energy: 1.2163321768632573
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Energy: 1.1154399058986926
Energy: 1.1413504534757388
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Energy: 1.2286376163059862
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Energy: 1.1154399058995248
Energy: 1.296684131707843
Energy: 1.2181279062566341
Energy: 1.1163384599835564
Energy: 1.1422423380753592
Energy: 1.21257604871922
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Energy: 1.2966841317070106
Energy: 1.2181279062582993
Energy: 1.1163384599810595
Energy: 1.142242338074943
Energy: 1.2790244518626712
Energy: 1.2152724352614503
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Energy: 1.1191882430507425
Energy: 1.293752216933329
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Energy: 1.215272435268525
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Energy: 1.1191882430499103
Energy: 1.267280936844679
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Energy: 1.2377019049744236
Energy: 1.1192072003294318
Energy: 1.2159687038283136
Energy: 1.1422263799295067
Energy: 1.2672809368430145
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Energy: 1.1192072003290154
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Energy: 1.2165444571867776
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Energy: 1.1198080300166326
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Energy: 1.2792635947347577
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Energy: 1.2807889009986326
Energy: 1.1192284815388682
Energy: 1.2927945666449856
Energy: 1.2183461746430946
Energy: 1.2304834389928907
Energy: 1.2344101155765022
Energy: 1.2807889009873965
Energy: 1.1192284815372038
Energy: 1.2927945666408243
Energy: 1.1712247591892089
Energy: 1.29521820983309
Energy: 1.1190355420192444
Energy: 1.21245834091951
Energy: 1.1482124471515276
Energy: 1.1328505298858362
Energy: 1.1712247591887928
Energy: 1.2952182098318414
Energy: 1.1190355420184122
Energy: 1.2124583409190934
Energy: 1.217173904239825
Energy: 1.2372965188065437
Energy: 1.2719214416074018
Energy: 1.1394316842304972
Energy: 1.1393005994463221
Energy: 1.2670347047218173
Energy: 1.217173904238993
Energy: 1.2372965188069598
Energy: 1.271921441608234
Energy: 1.1394316842296648
Energy: 1.2377001250318582
Energy: 1.213409279363573
Energy: 1.2746080914843356
Energy: 1.1420452007674025
Energy: 1.2154965563095657
Energy: 1.1189575537602856
Energy: 1.2377001250335227
Energy: 1.2134092793656537
Energy: 1.2746080914847517
Energy: 1.1420452007690671
Energy: 1.2313297624987132
Energy: 1.2178807424178364
Energy: 1.281134974129754
Energy: 1.1190573672805713
Energy: 1.3436374020050728
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Energy: 1.2313297624949682
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Energy: 1.2811349741305864
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Energy: 1.119614968103624
Energy: 1.2138083763397753
Energy: 1.2379026606849783
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Energy: 1.2115681851079396
Energy: 1.1420523854676046
Energy: 1.1196149681011272
Energy: 1.2138083763393592
Energy: 1.2379026606816488
Energy: 1.1187029724725306
Energy: 1.2686151409824171
Energy: 1.2292846087365832
Energy: 1.2293418952558641
Energy: 1.2686151409857465
Energy: 1.140728328756273
Energy: 1.1154818248309673
Energy: 1.2686151409844981
Energy: 1.2292846087365832
Energy: 1.2293418952546156
Energy: 1.268615140984914
Energy: 1.1195049544400517
Energy: 1.237902498157577
Energy: 1.213804238221559
Energy: 1.119584655632266
Energy: 1.1418759229729218
Energy: 1.2117129677434368
Energy: 1.1195049544388032
Energy: 1.237902498155496
Energy: 1.213804238221559
Energy: 1.119584655629353
Energy: 1.1191469684882045
Energy: 1.279623658832021
Energy: 1.2244343069189543
Energy: 1.230972021850149
Energy: 1.1200194766260196
Energy: 1.343598550069331
Energy: 1.1191469684869562
Energy: 1.2796236588307723
Energy: 1.2244343069347678
Energy: 1.2309720218509812
Energy: 1.1424565518940462
Energy: 1.2746080914822548
Energy: 1.213359941064323
Energy: 1.2379529013178545
Energy: 1.119035238235078
Energy: 1.215509665836596
Energy: 1.1424565518927976
Energy: 1.2746080914830873
Energy: 1.2133599410651554
Energy: 1.2379529013174382
Energy: 1.1406278528480631
Energy: 1.2719214416061535
Energy: 1.23729952085528
Energy: 1.2167572374473916
Energy: 1.2670347047255628
Energy: 1.139452045690813
Energy: 1.1406278528488956
Energy: 1.2719214416074018
Energy: 1.23729952085528
Energy: 1.2167572374498885
Energy: 1.2126273821803473
Energy: 1.1194989525172847
Energy: 1.2962375855040944
Energy: 1.171405108878316
Energy: 1.1339776687555227
Energy: 1.1482095796285048
Energy: 1.2126273821803473
Energy: 1.119498952518117
Energy: 1.296237585511585
Energy: 1.171405108878732
Energy: 1.294756313628828
Energy: 1.1186583884731878
Energy: 1.279685424800028
Energy: 1.2402175166616476
Energy: 1.230176579392831
Energy: 1.2180966627943424
Energy: 1.2947563136304927
Energy: 1.1186583884756847
Energy: 1.2796854232418247
Energy: 1.2402175169382335
Energy: 1.216653239974918
Energy: 1.1413778872896265
Energy: 1.2682920802064401
Energy: 1.2131795386612492
Energy: 1.2380541478742138
Energy: 1.1220245334163133
Energy: 1.216653239974918
Energy: 1.1413778872892104
Energy: 1.268292080208521
Energy: 1.2131795386616655

minimum gb energy = 1.1154399058986926 eV
minimum distance =  2.26790375878834 Angstroms
sigma value = 185


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

Energy: 1.3745329993668718
Energy: 1.1371372568171783
Energy: 1.3935922227918385
Energy: 1.5625612661839987
Energy: 1.3937026519343045
Energy: 1.2339071136244582
Energy: 1.3745329993673656
Energy: 1.13713725681619
Energy: 1.3935922227898623
Energy: 1.3125727990998373
Energy: 1.4199865062728227
Energy: 1.1385880959598431
Energy: 1.1144046024813272
Energy: 1.1361848885536863
Energy: 1.1358916721371741
Energy: 1.2355418907757376
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Energy: 1.1361848885556622
Energy: 1.7094373449329143
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Energy: 1.4537416754371721
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Energy: 1.136477832211913
Energy: 1.7094373449343963
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Energy: 1.392988950651725
Energy: 1.4725543014435674
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Energy: 1.136331392661122
Energy: 1.1150532684207646
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Energy: 1.136331392661122
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Energy: 1.6871846640167092
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Energy: 1.1378355473865218
Energy: 1.4251405811202944
Energy: 1.4250379648187854
Energy: 1.3706505825648656
Energy: 1.6871846640157215
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Energy: 1.1378355473870159
Energy: 1.4251405811217763
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Energy: 1.3049584394514449
Energy: 1.3050986402889988
Energy: 1.1364673078388605
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Energy: 1.235196700450908
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Energy: 1.6874153710909439
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Energy: 1.1147569474913595
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Energy: 1.1150421908506316
Energy: 1.1360547185618253
Energy: 1.1374508468656015
Energy: 1.4706025410202295
Energy: 1.3926208240546099
Energy: 1.453741675432232
Energy: 1.1359026099265925
Energy: 1.7091645754407148
Energy: 1.136128092592203
Energy: 1.1373269873357135
Energy: 1.3926208240560918
Energy: 1.4537416754302563
Energy: 1.1359026099265925
Energy: 1.7091645754392328
Energy: 1.1361827786769996
Energy: 1.114379737342122
Energy: 1.1383183805604518
Energy: 1.4197324391659834
Energy: 1.2355418907737614
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Energy: 1.1361827786760115
Energy: 1.11437973734311
Energy: 1.138318380562428
Energy: 1.4197324391635133
Energy: 1.4747486675791321
Energy: 1.3937026519343045
Energy: 1.1842680267310166
Energy: 1.3745329993668718
Energy: 1.1371372568137201
Energy: 1.3935922227903565
Energy: 1.5746461603573094
Energy: 1.3937026519333164
Energy: 1.1372504613621017
Energy: 1.3745329993658837
Energy: 1.1361848885502284
Energy: 1.1358916721366803
Energy: 1.2355418907757376
Energy: 1.4199865062767743
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Energy: 1.1144046024857734
Energy: 1.1361848885507224
Energy: 1.1358916721381622
Energy: 1.2355418907737614
Energy: 1.4199865062757866
Energy: 1.3929889506512307
Energy: 1.1373775520118627
Energy: 1.1364778322094427
Energy: 1.7094373449368663
Energy: 1.135772034200402
Energy: 1.4537416754623202
Energy: 1.3929889506527127
Energy: 1.1373775520123568
Energy: 1.136477832207018
Energy: 1.7094373449348905
Energy: 1.1150532684197765
Energy: 1.115095725330454
Energy: 1.1140960775268607
Energy: 1.4725543014420854
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Energy: 1.1363313926596401
Energy: 1.1150532684192827
Energy: 1.11509572532996
Energy: 1.114096077523403
Energy: 1.4725543014415914
Energy: 1.4251405811272102
Energy: 1.4250379648207612
Energy: 1.3706505825619018
Energy: 1.6871846640167092
Energy: 1.1144805607203598
Energy: 1.1378355473909678
Energy: 1.4251405811168814
Energy: 1.4250379648138454
Energy: 1.3706505825623958
Energy: 1.6871846640117694
Energy: 1.1364673078393546
Energy: 1.1359984863995964
Energy: 1.2812056615081757
Energy: 1.1651549390125793
Energy: 1.30495843947071
Energy: 1.235196700452839
Energy: 1.1364673078378726
Energy: 1.1359984863995964
Energy: 1.281205661512128
Energy: 1.1773936596169658
Energy: 1.3156089708744514
Energy: 1.2803727853965092
Energy: 1.136334559727992
Energy: 1.1364594113768631
Energy: 1.176630029287511
Energy: 1.3048592176284324
Energy: 1.315608970870993
Energy: 1.2803727853935454
Energy: 1.1363345597398478
Energy: 1.1364594113773572
Energy: 1.6874153710909439
Energy: 1.3708763411221663
Energy: 1.4282930523922805
Energy: 1.421909509735454
Energy: 1.1378826302248204
Energy: 1.1145025710355856
Energy: 1.687415371089462
Energy: 1.3708763411231542
Energy: 1.4282930523982085
Energy: 1.4219095097359478
Energy: 1.4706025410172656
Energy: 1.1147569474839498
Energy: 1.1152189400525654
Energy: 1.1150421908535955
Energy: 1.1360547185603433
Energy: 1.1374508468665894
Energy: 1.4706025410187475
Energy: 1.1147569474923478
Energy: 1.1152189400505894
Energy: 1.1150421908545836
Energy: 1.7091645754417029
Energy: 1.1361280925907211
Energy: 1.1373269873362077
Energy: 1.3926208240546099
Energy: 1.4537416754307502
Energy: 1.1359026099246168
Energy: 1.7091645754421967
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Energy: 1.1373269873376897
Energy: 1.3926208240551037
Energy: 1.4197324391664772
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Energy: 1.1143797373450859
Energy: 1.1383183805639099
Energy: 1.4197324391659834
Energy: 1.2355418907762314
Energy: 1.1359182132211063
Energy: 1.1361827786774936
Energy: 1.3745329993668718
Energy: 1.1371372568181661
Energy: 1.3935922227913444
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Energy: 1.1372504613690178
Energy: 1.3745329993663775
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Energy: 1.3935922227923325
Energy: 1.313619326310925
Energy: 1.4199865062688706
Energy: 1.1385880959598431
Energy: 1.1144046024813272
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Energy: 1.2355418907752433
Energy: 1.4199865062683765
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Energy: 1.1144046024823153
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Energy: 1.1357720342008961
Energy: 1.4537416754623202
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Energy: 1.1373775520158147
Energy: 1.1364778322114186
Energy: 1.7094373449329143
Energy: 1.1357720341989201
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Energy: 1.3929889506487612
Energy: 1.4725543014396154
Energy: 1.137148269565979
Energy: 1.136331392661122
Energy: 1.1150532684197765
Energy: 1.1150957253294662
Energy: 1.1140960775466202
Energy: 1.4725543014415914
Energy: 1.137148269565485
Energy: 1.136331392661616
Energy: 1.1150532684202705
Energy: 1.6871846640142396
Energy: 1.114480560717396
Energy: 1.137835547388004
Energy: 1.4251405811262223
Energy: 1.4250379648143394
Energy: 1.3706505825633837
Energy: 1.6871846640162154
Energy: 1.114480560716902
Energy: 1.1378355473870159
Energy: 1.42514058112968
Energy: 1.1386350043120113
Energy: 1.3049584393300135
Energy: 1.235196700450414
Energy: 1.1364673078398484
Energy: 1.1359984863991024
Energy: 1.281205661500811
Energy: 1.1386350043164573
Energy: 1.304958439355162
Energy: 1.2351967004514017
Energy: 1.1364673078388605
Energy: 1.1364594113738993
Energy: 1.1766300292884992
Energy: 1.3048592176175644
Energy: 1.2714545329683486
Energy: 1.2803727853970033
Energy: 1.1363345597433054
Energy: 1.1364594113748872
Energy: 1.176630029288005
Energy: 1.3048592176269502
Energy: 1.27145453892911
Energy: 1.421909509735454
Energy: 1.1378826302228444
Energy: 1.1145025710345975
Energy: 1.687415371089462
Energy: 1.370876341124142
Energy: 1.4282930523932686
Energy: 1.4219095097344658
Energy: 1.1378826302243263
Energy: 1.1145025710345975
Energy: 1.6874153710904498
Energy: 1.1150421908506316
Energy: 1.1360547185628131
Energy: 1.1374508468670834
Energy: 1.4706025410187475
Energy: 1.1147569474785162
Energy: 1.115218940057999
Energy: 1.1150421908521135
Energy: 1.1360547185623193
Energy: 1.1374508468675775
Energy: 1.4706025410182535
Energy: 1.392620824057574
Energy: 1.453741675433714
Energy: 1.1359026099265925
Energy: 1.7091645754397267
Energy: 1.1361280925902273
Energy: 1.1373269873327496
Energy: 1.3926208240570797
Energy: 1.4537416754332202
Energy: 1.1359026099246168
Energy: 1.7091645754407148
Energy: 1.1361827786760115
Energy: 1.114379737343604
Energy: 1.138318380561934
Energy: 1.4197324391615374
Energy: 1.2355418907801834
Energy: 1.135918213220118
Energy: 1.1361827786779874
Energy: 1.11437973734311
Energy: 1.1383183805604518
Energy: 1.4197324391659834

minimum gb energy = 1.114096077521427 eV
minimum distance =  2.18334232633211 Angstroms
sigma value = 33


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

Energy: 1.514062598609404
Energy: 1.4646351126462702
Energy: 1.4219891221854521
Energy: 1.6574990226820567
Energy: 1.4219300646792044
Energy: 1.4651054460524366
Energy: 1.5140625986053362
Energy: 1.4646351126484398
Energy: 1.4219891221846386
Energy: 1.6574990226812432
Energy: 1.4882295959791516
Energy: 1.4562266524363914
Energy: 1.2206279263505402
Energy: 1.3439838041297227
Energy: 1.2678762104316328
Energy: 1.2351941227205456
Energy: 1.4882295959832192
Energy: 1.4562266524358494
Energy: 1.2206279259152144
Energy: 1.343983804130265
Energy: 1.3863240013757796
Energy: 1.253049461216899
Energy: 1.4164393206391825
Energy: 1.5040189979429253
Energy: 1.2398722346199298
Energy: 1.2414586692309895
Energy: 1.3863240013828306
Energy: 1.253049461219611
Energy: 1.4164393206329453
Energy: 1.50401899794401
Energy: 1.288158447183178
Energy: 1.2488033056556793
Energy: 1.341304396188924
Energy: 1.4903712380636374
Energy: 1.4613248453591086
Energy: 1.44661486798514
Energy: 1.2881584471845335
Energy: 1.248803305661374
Energy: 1.341304396193534
Energy: 1.4903712380663494
Energy: 1.3417152283630758
Energy: 1.2217928434655605
Energy: 1.3041380828540012
Energy: 1.446508207110236
Energy: 1.3723463884520328
Energy: 1.4875558166799336
Energy: 1.341715228368228
Energy: 1.2217928434631196
Energy: 1.3041380828480351
Energy: 1.446508207109151
Energy: 1.5130216133814234
Energy: 1.2491007152774218
Energy: 1.2541073082765746
Energy: 1.2419302892881956
Energy: 1.2394703834946446
Energy: 1.4538458491160802
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Energy: 1.2208054873779204
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Energy: 1.4802361995042985
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Energy: 1.4290716514108481
Energy: 1.4802361995070104
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Energy: 1.4815278155049039
Energy: 1.4886199032813556
Energy: 1.4219822593559237
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Energy: 1.488619903280271
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Energy: 1.4924765419619401
Energy: 1.4296439769401674
Energy: 1.2213347500825447
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Energy: 1.4296439769407097
Energy: 1.2390041516755321
Energy: 1.241804887457139
Energy: 1.3831460894582424
Energy: 1.2494510703241446
Energy: 1.4021983678523844
Energy: 1.5025251872949568
Energy: 1.2390041516812271
Energy: 1.2418048874590375
Energy: 1.3831460894590313
Energy: 1.24945107032306
Energy: 1.4688981646933794
Energy: 1.4196565814850535
Energy: 1.3561080805547723
Energy: 1.2218762624813635
Energy: 1.3527165718252752
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Energy: 1.4688981646947352
Energy: 1.4196565814820705
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Energy: 1.2218762624873296
Energy: 1.3544737920795407
Energy: 1.487941724097296
Energy: 1.3732901577116423
Energy: 1.2487760986142955
Energy: 1.3005791249935679
Energy: 1.4462514330803662
Energy: 1.3544737920746595
Energy: 1.4879417240962114
Energy: 1.3732901577092016
Energy: 1.2487760986178211
Energy: 1.2396232274182046
Energy: 1.3118343293337427
Energy: 1.513085532618087
Energy: 1.2494511662337946
Energy: 1.2337711894588388
Energy: 1.2416873121599352
Energy: 1.239623227413052
Energy: 1.3118343293397088
Energy: 1.5130855326142905
Energy: 1.249451166227286
Energy: 1.2370845173943728
Energy: 1.3438881766039277
Energy: 1.4959388848797275
Energy: 1.377074147601061
Energy: 1.4799630704885736
Energy: 1.2335175990850389
Energy: 1.2370845173908478
Energy: 1.3438881766006734
Energy: 1.495938884879185
Energy: 1.377074147601603
Energy: 1.392572670857995
Energy: 1.3400737246596435
Energy: 1.4217535410491027
Energy: 1.4597527786564535
Energy: 1.4800392725044518
Energy: 1.487524091798653
Energy: 1.3925726708582662
Energy: 1.3400737246512369
Energy: 1.4217535410436788
Energy: 1.4597527786567248
Energy: 1.220917427385586
Energy: 1.3445141360125672
Energy: 1.2676250015292474
Energy: 1.2420969244394389
Energy: 1.3336268643940559
Energy: 1.4824264371977576
Energy: 1.2209174273885692
Energy: 1.3445141360163637
Energy: 1.2676250015278918
Energy: 1.2420969244386253
Energy: 1.2971944322612574
Energy: 1.441758979240104
Energy: 1.2398547511325664
Energy: 1.2426072900840748
Energy: 1.2600519519584974
Energy: 1.2490540571341107
Energy: 1.2971944322612574
Energy: 1.4417589792425447
Energy: 1.2398547511379898
Energy: 1.2426072900881424
Energy: 1.3529332368056866
Energy: 1.4898472942675165
Energy: 1.4695255022145866
Energy: 1.41556876736216
Energy: 1.357966065212454
Energy: 1.2220060771102212
Energy: 1.3529332368062292
Energy: 1.4898472942612795
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Energy: 1.2206209398977248
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Energy: 1.5231046289351216
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Energy: 1.3924263366144296
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Energy: 1.2300761840496177
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Energy: 1.2336566781462717
Energy: 1.4276683634096825
Energy: 1.3924263366206668
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Energy: 1.2300761840544745
Energy: 1.2420130392578408
Energy: 1.3397529099317826
Energy: 1.4162195784689606
Energy: 1.3872623770184922
Energy: 1.2420751163508104
Energy: 1.233963586121679
Energy: 1.2497100836570179
Energy: 1.33975290992202
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Energy: 1.3872623770212038
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Energy: 1.5275864405782236
Energy: 1.3536987654563257
Energy: 1.4861810034706926
Energy: 1.468843355620091
Energy: 1.3257063870802093

minimum gb energy = 1.1995636767908457 eV
minimum distance =  2.21341361778869 Angstroms
sigma value = 219


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

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Energy: 1.2213247925588238
Energy: 1.186632552799947
Energy: 1.3002501036950425
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Energy: 1.223774662161173
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Energy: 1.183372020921345
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Energy: 1.2213324817398412
Energy: 1.1865561643679294
Energy: 1.2395298062701263
Energy: 1.1867984334163209
Energy: 1.3637561078719977

minimum gb energy = 1.1827358816440658 eV
minimum distance =  2.30963413509314 Angstroms
sigma value = 15


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

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Energy: 1.4039845212408328
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minimum gb energy = 1.3041866008101428 eV
minimum distance =  2.22378679027009 Angstroms
sigma value = 293


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

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Energy: 1.4202622323074168
Energy: 1.3884169378563271
Energy: 1.3568884984105791
Energy: 1.3744383425341964
Energy: 1.506350278178766
Energy: 1.31373891902705
Energy: 1.4202622323074168
Energy: 1.3884169378563271
Energy: 1.356888498408552
Energy: 1.5179407243546987
Energy: 1.4327293525804687
Energy: 1.374996224692022
Energy: 1.5815821154713785
Energy: 1.3779180112767737
Energy: 1.4329343525843385
Energy: 1.5179407243530771
Energy: 1.4327293525784417
Energy: 1.374996224691211
Energy: 1.5058427263315413
Energy: 1.3139240397117715
Energy: 1.506247097484602
Energy: 1.3757857373677063
Energy: 1.3570810900447343
Energy: 1.3884183034359585
Energy: 1.4207942101171476
Energy: 1.313924039709339
Energy: 1.506247097482575
Energy: 1.3757857373697333
Energy: 1.3570810900451398
Energy: 1.4610315916377807
Energy: 1.395730510419194
Energy: 1.4230090955230184
Energy: 1.3789857778228267
Energy: 1.3888403556383342
Energy: 1.2992613739698209
Energy: 1.4397653637685695
Energy: 1.3957305104216262
Energy: 1.4230090955230184
Energy: 1.3789857778248535
Energy: 1.394383527611046
Energy: 1.397059773494961
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Energy: 1.4371596840695926
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Energy: 1.3970597734957717
Energy: 1.5074969942562546
Energy: 1.437159684069998
Energy: 1.3397242775350926
Energy: 1.4803720503692916
Energy: 1.4160789980013282
Energy: 1.3882795709632942
Energy: 1.5701790748563642
Energy: 1.3125728190381347
Energy: 1.3397242775346871
Energy: 1.4803720503684807
Energy: 1.4160789980009227
Energy: 1.388279570962889
Energy: 1.3471649582405412
Energy: 1.3639543634707603
Energy: 1.3528396552174002
Energy: 1.522809133010511
Energy: 1.382543990209766
Energy: 1.4125628140737925
Energy: 1.3471649582397303
Energy: 1.3639543634691387
Energy: 1.352839655216184
Energy: 1.5228091330109166
Energy: 1.379991805691465
Energy: 1.4267845739007878
Energy: 1.4241271254037933
Energy: 1.4758851112228906
Energy: 1.4065071826544187
Energy: 1.482865976753386
Energy: 1.3799918056922758
Energy: 1.4267845739036256
Energy: 1.4241271254041985
Energy: 1.4758851112330253
Energy: 1.3879816532203564
Energy: 1.4030744660923953
Energy: 1.403081143829702
Energy: 1.388229646614728
Energy: 1.3449220254290863
Energy: 1.344871266076639
Energy: 1.3879816532203564
Energy: 1.4030744660928007
Energy: 1.4030811438272697
Energy: 1.3882296466143225
Energy: 1.4760546347540833
Energy: 1.4250449734844215
Energy: 1.380335617277793
Energy: 1.3801337296372356
Energy: 1.4828399046939822
Energy: 1.407361233321353
Energy: 1.4760546347536776
Energy: 1.4250449734836108
Energy: 1.380335617281847
Energy: 1.3801337296384517
Energy: 1.5224978524627835
Energy: 1.3527820944028424
Energy: 1.3639505259828932
Energy: 1.3471319267761743
Energy: 1.4128556377691655
Energy: 1.382700557511708
Energy: 1.5224978524607569
Energy: 1.3527820944052744
Energy: 1.3639505259828932
Energy: 1.3471319267733366
Energy: 1.390956382634881
Energy: 1.4162529690940022
Energy: 1.480372050366454
Energy: 1.3394859757969975
Energy: 1.3123245523737144
Energy: 1.5701790748575806
Energy: 1.3909563826352864
Energy: 1.4162529690940022
Energy: 1.4803720503656432
Energy: 1.3394859757978081
Energy: 1.4373882132514466
Energy: 1.5077984918118255
Energy: 1.397737803747786
Energy: 1.3944132965686449
Energy: 1.3883858515341654
Energy: 1.3781541499013072
Energy: 1.4373882132506357
Energy: 1.5077984918118255
Energy: 1.3977378037473807
Energy: 1.394413296580807

minimum gb energy = 1.2992613739681993 eV
minimum distance =  2.21827582109747 Angstroms
sigma value = 293


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

Energy: 1.1247729682323686
Energy: 1.383795414842482
Energy: 1.154927848923328
Energy: 1.4398557271766383
Energy: 1.154933498719387
Energy: 1.2516988167151082
Energy: 1.1247729682316359
Energy: 1.3837954148197684
Energy: 1.1549278489240604
Energy: 1.4398557271766383
Energy: 1.2305978809894316
Energy: 1.6844445592254444
Energy: 1.154943329804219
Energy: 1.5439704450642762
Energy: 1.5698849460725282
Energy: 1.1554735128438094
Energy: 1.2305978809894316
Energy: 1.4848997033099496
Energy: 1.154943329802021
Energy: 1.5474289489535429
Energy: 1.1982462332667436
Energy: 1.1207600227652958
Energy: 1.504140418375887
Energy: 1.1208616247333802
Energy: 1.2777987325146427
Energy: 1.1574419711547443
Energy: 1.1982462332645454
Energy: 1.1207600227674939
Energy: 1.504140418375887
Energy: 1.120861624731915
Energy: 1.5041500268580272
Energy: 1.1207550656378615
Energy: 1.198176288342878
Energy: 1.1574368512465338
Energy: 1.2303567218077998
Energy: 1.1208638739598495
Energy: 1.5041500268572943
Energy: 1.1207550656349308
Energy: 1.1981762883392144
Energy: 1.1574368512465338
Energy: 1.1550445283913975
Energy: 1.502877344890969
Energy: 1.2305957457030812
Energy: 1.1555620855399775
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Energy: 1.3814572499521223
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Energy: 1.7275180462415856
Energy: 1.2305957457023486
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Energy: 1.2516988167121772
Energy: 1.1247729682323686
Energy: 1.383795414745799
Energy: 1.1549278489240604
Energy: 1.5301771135891382
Energy: 1.154933498719387
Energy: 1.3748362764751596
Energy: 1.1247729682316359
Energy: 1.3837954147882954
Energy: 1.5698849460739936
Energy: 1.1554735128496711
Energy: 1.2305978809894316
Energy: 1.6137732003563567
Energy: 1.1549433298049518
Energy: 1.5439704450672072
Energy: 1.5698849460725282
Energy: 1.1554735128452747
Energy: 1.2305978809894316
Energy: 1.4848997033099496
Energy: 1.2777987325139102
Energy: 1.157441971155477
Energy: 1.1982462332689419
Energy: 1.1207600227652958
Energy: 1.5041404183751874
Energy: 1.1208616247275187
Energy: 1.2777987325124447
Energy: 1.1574419711547443
Energy: 1.1982462332623471
Energy: 1.1207600227667611
Energy: 1.2303567218056017
Energy: 1.1208638739605823
Energy: 1.5041500268580272
Energy: 1.1207550656385945
Energy: 1.1981762883384819
Energy: 1.1574368512472664
Energy: 1.2303567218070672
Energy: 1.1208638739598495
Energy: 1.5041500268572943
Energy: 1.120755065639327
Energy: 1.5697877467267705
Energy: 1.4314720800474112
Energy: 1.1550445283935957
Energy: 1.502877344893167
Energy: 1.2305957457016161
Energy: 1.155562085543641
Energy: 1.569787746726038
Energy: 1.381457249952855
Energy: 1.1550445283921302
Energy: 1.7275180462437836
Energy: 1.1549278489218624
Energy: 1.4620140383550158
Energy: 1.1549334987223177
Energy: 1.3748362749115421
Energy: 1.1247729682323686
Energy: 1.383795414800718
Energy: 1.1549278489240604
Energy: 1.5373034974936481
Energy: 1.1549334987215851
Energy: 1.374836276341142
Energy: 1.1549433298034864
Energy: 1.5474289489520776
Energy: 1.569884946073261
Energy: 1.1554735128438094
Energy: 1.2305978809872666
Energy: 1.735616326279349
Energy: 1.1549433298049518
Energy: 1.5474289489520776
Energy: 1.5698849460725282
Energy: 1.1554735128511364
Energy: 1.5041404183773524
Energy: 1.120861624731915
Energy: 1.2777987325139102
Energy: 1.157441971155477
Energy: 1.19824623326308
Energy: 1.1207600227638306
Energy: 1.504140418378085
Energy: 1.1208616247297167
Energy: 1.2777987325139102
Energy: 1.1574419711540116
Energy: 1.1981762883384819
Energy: 1.1574368512465338
Energy: 1.2303567218070672
Energy: 1.1208638739649783
Energy: 1.5041500268565617
Energy: 1.1207550656385945
Energy: 1.1981762883399472
Energy: 1.1574368512465338
Energy: 1.2303567218085323
Energy: 1.1208638739649783
Energy: 1.2305957456994179
Energy: 1.1555620855429083
Energy: 1.569787746726038
Energy: 1.3814572499521223
Energy: 1.1550445283928628
Energy: 1.4867066069775052
Energy: 1.2305957457023486
Energy: 1.1555620855451065
Energy: 1.569787746725305
Energy: 1.3814572499521223
Energy: 1.1247729682316359
Energy: 1.3837954147252831
Energy: 1.1549278489262587
Energy: 1.4620140383550158
Energy: 1.1549334987208522
Energy: 1.3748362751005125
Energy: 1.1247729682323686
Energy: 1.3837954147318774
Energy: 1.1549278489247932
Energy: 1.4003530358540999
Energy: 1.230597880987966
Energy: 1.8123490220775171
Energy: 1.1549433298027536
Energy: 1.5474289489528104
Energy: 1.5698849460725282
Energy: 1.1554735128474727
Energy: 1.2305978809894316
Energy: 1.7356163262778836
Energy: 1.1549433298064173
Energy: 1.5474289489520776
Energy: 1.1982462332601491
Energy: 1.120760022764563
Energy: 1.5041404183766196
Energy: 1.120861624724588
Energy: 1.277798732511712
Energy: 1.1574419711562098
Energy: 1.1982462332616146
Energy: 1.1207600227652958
Energy: 1.504140418375887
Energy: 1.1208616247297167
Energy: 1.5041500268580272
Energy: 1.1207550656363963
Energy: 1.1981762883392144
Energy: 1.1574368512465338
Energy: 1.2303567218092653
Energy: 1.1208638739605823
Energy: 1.5041500268558292
Energy: 1.120755065639327
Energy: 1.1981762883406797
Energy: 1.1574368512472664
Energy: 1.1550445283928628
Energy: 1.4867066069775052
Energy: 1.2305957456994179
Energy: 1.1555620855421755
Energy: 1.5697877467275032
Energy: 1.381457249955053
Energy: 1.1550445283935957
Energy: 1.4867066069789707
Energy: 1.2305957457030812
Energy: 1.1555620855421755
Energy: 1.1549334987208522
Energy: 1.3748362742890459
Energy: 1.1247729682316359
Energy: 1.3837954146879488
Energy: 1.1549278489247932
Energy: 1.462014038352818
Energy: 1.1549334987208522
Energy: 1.3748362729963948
Energy: 1.1247729682323686
Energy: 1.3837954146740274
Energy: 1.5698849460725282
Energy: 1.1554735128474727
Energy: 1.230597880987966
Energy: 1.8123490220775171
Energy: 1.154943329804219
Energy: 1.5474289489535429
Energy: 1.5698849460725282
Energy: 1.1554735128460074
Energy: 1.2305978809894316
Energy: 1.735616326277151

minimum gb energy = 1.1207550656349308 eV
minimum distance =  2.2349034141368 Angstroms
sigma value = 15


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

Energy: 1.5635606005386498
Energy: 1.3310503383322265
Energy: 1.3838130201007492
Energy: 1.3551394434957744
Energy: 1.3838157053003455
Energy: 1.3310512640495835
Energy: 1.563560600536325
Energy: 1.3310503383335552
Energy: 1.3838130200997532
Energy: 1.355139441128064
Energy: 1.3918537480890643
Energy: 1.5162111639864386
Energy: 1.3824779531683427
Energy: 1.3626074458411543
Energy: 1.3775752768361336
Energy: 1.3219117364590574
Energy: 1.391853748091057
Energy: 1.5162111639874352
Energy: 1.3824779531683427
Energy: 1.3626074458404902
Energy: 1.425916164773558
Energy: 1.328723741345821
Energy: 1.4483167075786239
Energy: 1.3675186256796092
Energy: 1.4266876322040856
Energy: 1.4050832011984244
Energy: 1.4259161647742227
Energy: 1.3287237413481463
Energy: 1.4483167075766612
Energy: 1.3675186256802736
Energy: 1.4697390205691434
Energy: 1.3357635880776317
Energy: 1.3767742093518491
Energy: 1.3263430999041295
Energy: 1.4080289160450867
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Energy: 1.4697390205714687
Energy: 1.3357635880779637
Energy: 1.3767742093518491
Energy: 1.3263430999041295
Energy: 1.3696320383548368
Energy: 1.421524016523397
Energy: 1.325125697930878
Energy: 1.3937719617623066
Energy: 1.312025653434492
Energy: 1.32954042290091
Energy: 1.3696320383571619
Energy: 1.4404982586854227
Energy: 1.3251256979295498
Energy: 1.393771961763967
Energy: 1.3578017277963303
Energy: 1.4373821309534784
Energy: 1.3952223779771304
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Energy: 1.333038611052531
Energy: 1.4791349027480267
Energy: 1.357801727795334
Energy: 1.437382130955471
Energy: 1.3952223779744732
Energy: 1.3687114322825487
Energy: 1.4657510558655713
Energy: 1.2839488347356258
Energy: 1.287619219626874
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Energy: 1.376085326387553
Energy: 1.3871317750257661
Energy: 1.4657510558675642
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Energy: 1.2876192196282024
Energy: 1.3842797919626368
Energy: 1.3348417898294207
Energy: 1.515394529295905
Energy: 1.3656216630924503
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Energy: 1.3141846862868556
Energy: 1.3840879009918297
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Energy: 1.3656216630941107
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Energy: 1.345510595653888
Energy: 1.4520567927428427
Energy: 1.4621389730818537
Energy: 1.3728252605443003
Energy: 1.3312385778552875
Energy: 1.3302128769029957
Energy: 1.3455105956552165
Energy: 1.4520567927501495
Energy: 1.462138973084179
Energy: 1.372825260546293
Energy: 1.3506064201025454
Energy: 1.3883768585786755
Energy: 1.336483459170367
Energy: 1.4848776580463854
Energy: 1.3665823208647734
Energy: 1.3611218881108984
Energy: 1.3506064200992238
Energy: 1.3883768585803362
Energy: 1.3364834591710313
Energy: 1.4848776580460532
Energy: 1.3302864081012191
Energy: 1.4017472085965756
Energy: 1.2820676011754977
Energy: 1.4729173429597426
Energy: 1.32240391452295
Energy: 1.3667267026884078
Energy: 1.3302864081025474
Energy: 1.4017472085995648
Energy: 1.2820676011748333
Energy: 1.4729173429617355
Energy: 1.3670253428738814
Energy: 1.4047502575277941
Energy: 1.4982508170802797
Energy: 1.329023868914366
Energy: 1.3751345504983488
Energy: 1.3184959433594587
Energy: 1.3670253428765387
Energy: 1.4047502575277941
Energy: 1.498250817077623
Energy: 1.3290238689156946
Energy: 1.4060692222057698
Energy: 1.3504651697849968
Energy: 1.5023828441736449
Energy: 1.4373896482018433
Energy: 1.3537386085389949
Energy: 1.3121097381397886
Energy: 1.4060692222041093
Energy: 1.3504651697833363
Energy: 1.502382844170656
Energy: 1.437389648204138
Energy: 1.3222084802826193
Energy: 1.467986342428307
Energy: 1.3335290453543363
Energy: 1.3974762068975302
Energy: 1.3693989465986691
Energy: 1.3639318992403167
Energy: 1.3222084802823173
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Energy: 1.39747620690215
Energy: 1.3702009043944687
Energy: 1.515710257028575
Energy: 1.475719356332443
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Energy: 1.3961203411030707
Energy: 1.3011060322057915
Energy: 1.370200904395133
Energy: 1.5157102570308998
Energy: 1.4757193563301183
Energy: 1.3858203067511428
Energy: 1.314659899527326
Energy: 1.3791469528803981
Energy: 1.4661107304022896
Energy: 1.4682934308759854
Energy: 1.352949590138104
Energy: 1.3796644828811695
Energy: 1.3146598995263297
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Energy: 1.4661107304016254
Energy: 1.468293430876982
Energy: 1.4223556513717184
Energy: 1.3489928354959775
Energy: 1.350586453776274
Energy: 1.4676798397220054
Energy: 1.4670923610570883
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Energy: 1.4163531504263471
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Energy: 1.3082157330764552
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Energy: 1.3393021152461515
Energy: 1.4926506505501804
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Energy: 1.375394699638464
Energy: 1.3140640805127815
Energy: 1.3879038550659322
Energy: 1.3262435615916883
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Energy: 1.3753946996391284
Energy: 1.3140640805061385
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Energy: 1.3262435615916883
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Energy: 1.3677516665809246
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Energy: 1.3677516665822531
Energy: 1.5373152279320623
Energy: 1.3876258946531401
Energy: 1.4059446776073619
Energy: 1.345221439579076
Energy: 1.3653375466808604
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Energy: 1.387059503557324
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Energy: 1.3452214395817332
Energy: 1.3653375466825208
Energy: 1.3967122243458494
Energy: 1.3775162590425345
Energy: 1.3950494266499311
Energy: 1.3184007903693
Energy: 1.3348474246130124
Energy: 1.5139900355577782
Energy: 1.4358967191110767
Energy: 1.37751625904021
Energy: 1.3950494266512596
Energy: 1.3184007903689683
Energy: 1.3348474246113518
Energy: 1.37792465160999
Energy: 1.3842626493717665
Energy: 1.3096256235367043
Energy: 1.3699635830159955
Energy: 1.2840394350468598
Energy: 1.466747370712381
Energy: 1.37792465160999
Energy: 1.384262649376386
Energy: 1.309625623541022
Energy: 1.3699635830166599
Energy: 1.434476472365004
Energy: 1.3349585515465787
Energy: 1.367931949137094
Energy: 1.3557651080949888
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Energy: 1.335773890753475
Energy: 1.434476472366997
Energy: 1.3349585515432574
Energy: 1.367931949138755
Energy: 1.3557651081002728
Energy: 1.4079465101608732
Energy: 1.32592535037258
Energy: 1.3832218524270985
Energy: 1.3613110603494638
Energy: 1.4605988125758034
Energy: 1.3362366836814097
Energy: 1.4079465101588802
Energy: 1.3259253503745727
Energy: 1.3832218524247737
Energy: 1.3613110603491316
Energy: 1.29900886124452
Energy: 1.4183961248285017
Energy: 1.319277582713181
Energy: 1.3321446670926895
Energy: 1.3796075693165366
Energy: 1.465271938171021
Energy: 1.2990088612451844
Energy: 1.418396124829498
Energy: 1.3192775827145098
Energy: 1.3321446670923571
Energy: 1.474668072091539
Energy: 1.3552497321169947
Energy: 1.3789993688785802
Energy: 1.5564011538498537
Energy: 1.3801575301294335
Energy: 1.4257691445400331
Energy: 1.474668072092203
Energy: 1.3552497321090236
Energy: 1.3789993688765876
Energy: 1.556401153849189
Energy: 1.2828475429307382
Energy: 1.4742826592397649
Energy: 1.3780271891421123
Energy: 1.3659886276276332
Energy: 1.4696800331360256
Energy: 1.3765777429532016
Energy: 1.2828475429287456
Energy: 1.4742826592391005
Energy: 1.3780271891427767
Energy: 1.3659886276269693
Energy: 1.382386847199098
Energy: 1.3791033788726115
Energy: 1.6923002345461218
Energy: 1.3688216463428255
Energy: 1.3555675420010145
Energy: 1.4782164060276637
Energy: 1.3823868471947802
Energy: 1.3791033788726115
Energy: 1.692300234547118
Energy: 1.3688216463441543
Energy: 1.4647477543942753
Energy: 1.3795510176796213
Energy: 1.3575360862078099
Energy: 1.3068488157106628
Energy: 1.3933315605656353
Energy: 1.3692478962818877
Energy: 1.4647477543883272
Energy: 1.379551017678625
Energy: 1.3575360862048207
Energy: 1.306848815710995
Energy: 1.2890753972132103
Energy: 1.4346029008918018
Energy: 1.3668762556251184
Energy: 1.371692068091888
Energy: 1.3612854651202742
Energy: 1.4029409402237727
Energy: 1.2890753972125462
Energy: 1.4346029008924661
Energy: 1.3668762556257823
Energy: 1.3716920680942128
Energy: 1.2898555448330498
Energy: 1.4389614205791055
Energy: 1.3505916285494475
Energy: 1.3760363187313014
Energy: 1.3259913802147854
Energy: 1.3614397259759434
Energy: 1.2898555448337141
Energy: 1.4389614205771124
Energy: 1.3505916285573882
Energy: 1.3760363187316336
Energy: 1.523560511664442
Energy: 1.29774461720895
Energy: 1.3852280417845078
Energy: 1.2955297161957646
Energy: 1.37860889416163
Energy: 1.3789289027621359
Energy: 1.5235605116617847
Energy: 1.2977446172082858
Energy: 1.3852280417845078
Energy: 1.2955297161957646
Energy: 1.4275441521184344
Energy: 1.45194227789392
Energy: 1.3515043954551496
Energy: 1.322092158481606
Energy: 1.3858926974133061
Energy: 1.3791469618561516
Energy: 1.4275441521187666
Energy: 1.4519422778965767
Energy: 1.3515043954578068
Energy: 1.3220921584809417
Energy: 1.349235069421118
Energy: 1.3849227009231775
Energy: 1.457254725871558
Energy: 1.373355314924486
Energy: 1.378994017632127
Energy: 1.473065345078356
Energy: 1.3492350694204538
Energy: 1.384922700927163
Energy: 1.4572547258718902
Energy: 1.373355314924486
Energy: 1.4471088004158863
Energy: 1.385282811881919
Energy: 1.4400833841159941
Energy: 1.5442536517005938
Energy: 1.38073925051354
Energy: 1.3548909416949584
Energy: 1.4471088004182113
Energy: 1.385282811879262
Energy: 1.4400833841159941
Energy: 1.5442536517049117
Energy: 1.3469980267166695
Energy: 1.4574032370762393
Energy: 1.3514534527247073
Energy: 1.3325651515685506
Energy: 1.3215925142120977
Energy: 1.3916376929595078
Energy: 1.3469980267146768
Energy: 1.4574032370759076
Energy: 1.3514534527267001
Energy: 1.3325651515688828
Energy: 1.3698705920219019
Energy: 1.3361142121249907
Energy: 1.4998934855512545
Energy: 1.3655914554694628
Energy: 1.383348586404366
Energy: 1.3241203842598135
Energy: 1.3698705920205736
Energy: 1.3361142121263194
Energy: 1.4998934855522508
Energy: 1.3655914554681343
Energy: 1.3803856960911747
Energy: 1.2819984779802043
Energy: 1.4889801833805036
Energy: 1.3488004193986842
Energy: 1.3740157431365483
Energy: 1.3299465520319542
Energy: 1.3803856960931677
Energy: 1.281998477979872
Energy: 1.4889801833834926
Energy: 1.348800419401009
Energy: 1.3477209874545681
Energy: 1.4216600968115265
Energy: 1.2847936542133258
Energy: 1.3104684713205492
Energy: 1.3110075167555404
Energy: 1.3743123872746301
Energy: 1.3477209874495863
Energy: 1.4216600967829631
Energy: 1.284793654209672
Energy: 1.310468471322542
Energy: 1.3721765364628318
Energy: 1.4983257007192892
Energy: 1.4561816491314055
Energy: 1.3788423038202378
Energy: 1.3181792058235395
Energy: 1.4054769013045605
Energy: 1.3721765364638279
Energy: 1.4983257007206177
Energy: 1.456181649142366
Energy: 1.3788423038222306
Energy: 1.4076684438289013
Energy: 1.3606456715268491
Energy: 1.4441699123871896
Energy: 1.4300266868378335
Energy: 1.3612550631580393
Energy: 1.319921885640913
Energy: 1.4076684438285691
Energy: 1.3606456715281474
Energy: 1.444169912383234
Energy: 1.4300266868371694
Energy: 1.2905041684551701
Energy: 1.4003767147411201
Energy: 1.3856361747496937
Energy: 1.4372785904028438
Energy: 1.4392096603359366
Energy: 1.366990538478756
Energy: 1.2905041684561664
Energy: 1.4003767147391273
Energy: 1.3856361747503583
Energy: 1.4372785904035077
Energy: 1.3667717581735612
Energy: 1.3623745935562364
Energy: 1.3883097336906927
Energy: 1.3279090208046935
Energy: 1.471962895579637
Energy: 1.3123087598644774
Energy: 1.3667717581745578
Energy: 1.3623745935549079
Energy: 1.388309733694346
Energy: 1.3279090208053579
Energy: 1.32247497278715
Energy: 1.3531426224099024
Energy: 1.4601532376061301
Energy: 1.5447128127482936
Energy: 1.3620826411542415
Energy: 1.4433720717508756
Energy: 1.3224749727821679
Energy: 1.3531426224125591
Energy: 1.460153237605466
Energy: 1.5447128127469651
Energy: 1.297160834380017
Energy: 1.3284039247174255
Energy: 1.332731615071166
Energy: 1.5096875015711197
Energy: 1.4037047050322953
Energy: 1.3621805704034275
Energy: 1.297160834380681
Energy: 1.3284039247184218
Energy: 1.3327316150724946
Energy: 1.5096875015452131
Energy: 1.37489716509151
Energy: 1.3487666151045608
Energy: 1.46136467967666
Energy: 1.2891116765398594
Energy: 1.3795330714342546
Energy: 1.2957643410877315
Energy: 1.3748971650901816
Energy: 1.3487666151038964
Energy: 1.461364679674999
Energy: 1.2891116765428485

minimum gb energy = 1.281998477979872 eV
minimum distance =  2.25824861092888 Angstroms
sigma value = 437


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

Energy: 1.47390853822039
Energy: 1.5495690392621209
Energy: 1.3837654002156743
Energy: 1.6129370552524935
Energy: 1.3972848899401995
Energy: 1.4575676805338582
Energy: 1.47390853822039
Energy: 1.5495690392621209
Energy: 1.3837654002144644
Energy: 1.6129370552549138
Energy: 1.3909762107352424
Energy: 1.5195619245840035
Energy: 1.3637707433106148
Energy: 1.3610788959211868
Energy: 1.4514545620524553
Energy: 1.3977152998197553
Energy: 1.3909762107376624
Energy: 1.5195619245864238
Energy: 1.3637707433057749
Energy: 1.3610788959284466
Energy: 1.3243608293427345
Energy: 1.412598206418177
Energy: 1.5220972739059209
Energy: 1.3558423808307727
Energy: 1.4762528586664714
Energy: 1.4319837998443887
Energy: 1.3243608293475744
Energy: 1.4125982064157572
Energy: 1.5220972738708307
Energy: 1.3558423808295628
Energy: 1.5993868069032677
Energy: 1.3965080213362027
Energy: 1.3754001823784303
Energy: 1.3391755098271807
Energy: 1.361130997161813
Energy: 1.4216778972108963
Energy: 1.5993868069044779
Energy: 1.3965080213337826
Energy: 1.3754001823784303
Energy: 1.3391755098247606
Energy: 1.3379457845786893
Energy: 1.4029835882394406
Energy: 1.3586230426248196
Energy: 1.6255710342522254
Energy: 1.332599746407249
Energy: 1.5115217833841657
Energy: 1.3379457845871592
Energy: 1.3456025862226226
Energy: 1.3586230426187698
Energy: 1.6255710342473855
Energy: 1.3375246304549753
Energy: 1.529686490118267
Energy: 1.349243697658211
Energy: 1.3289618011649378
Energy: 1.3208394232171274
Energy: 1.5032659137141293
Energy: 1.3375246304573953
Energy: 1.529686490117057
Energy: 1.3492436976618407
Energy: 1.3289618011637279
Energy: 1.511423735387294
Energy: 1.3380686323675577
Energy: 1.4458473664006481
Energy: 1.3347912830734203
Energy: 1.353021703608034
Energy: 1.4126971987571846
Energy: 1.511423735387294
Energy: 1.338068632386918
Energy: 1.4458473663970184
Energy: 1.3347912830697903
Energy: 1.3509315501437555
Energy: 1.4314924407212295
Energy: 1.3586505743995125
Energy: 1.3339617816988234
Energy: 1.5135539929405613
Energy: 1.3965351879511465
Energy: 1.3509315501389156
Energy: 1.4314924407212295
Energy: 1.358650574400723
Energy: 1.3339617816988234
Energy: 1.4040954147929925
Energy: 1.37943514135407
Energy: 1.587527134404328
Energy: 1.328250149063109
Energy: 1.378251244174317
Energy: 1.4512920224974186
Energy: 1.4040954147942024
Energy: 1.37943514134802
Energy: 1.5875271344079582
Energy: 1.3282501490643188
Energy: 1.5301175622568328
Energy: 1.3808180087314803
Energy: 1.361879063657232
Energy: 1.3345764935116164
Energy: 1.357915276611368
Energy: 1.5308780695432456
Energy: 1.5301175622568328
Energy: 1.38081800873027
Energy: 1.3618790636548117
Energy: 1.3345764935079865
Energy: 1.564274411852104
Energy: 1.404291379216408
Energy: 1.3593724638700144
Energy: 1.3627215522456197
Energy: 1.425920839060842
Energy: 1.3464931941905975
Energy: 1.5642744118496839
Energy: 1.404291379216408
Energy: 1.3593724638663844
Energy: 1.3627215522444096
Energy: 1.2998770672515498
Energy: 1.4269661204501214
Energy: 1.5501089745570986
Energy: 1.3087945845937838
Energy: 1.5369496868220107
Energy: 1.4242481986765445
Energy: 1.2998770672539697
Energy: 1.4269661204537518
Energy: 1.5501089745570986
Energy: 1.308794584597414
Energy: 1.564918127275196
Energy: 1.4014937280747568
Energy: 1.475446080717472
Energy: 1.3640305919683555
Energy: 1.3600083869024833
Energy: 1.4204737773451503
Energy: 1.5649181273671022
Energy: 1.4014937280759667
Energy: 1.475446080716262
Energy: 1.3640305919671458
Energy: 1.500565587330095
Energy: 1.4740672634359424
Energy: 1.359063269013289
Energy: 1.543672875146026
Energy: 1.3612614826328306
Energy: 1.35540089856162
Energy: 1.5005655873252548
Energy: 1.4740672634456224
Energy: 1.3590632690096591
Energy: 1.5436728751484459

minimum gb energy = 1.2998770672515498 eV
minimum distance =  2.22513310243904 Angstroms
sigma value = 33