Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_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=2.814778730273247
cohesive_energy=4.122774919192733
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: 0.014863413188526521
Energy: 0.015219650882436774
Energy: 0.015163261676948318
Energy: 1.6035477481943534
Energy: 0.015163933593554018
Energy: 0.015211763606788444
Energy: 0.014863413188282678
Energy: 0.015218547928213309
Energy: 0.015171651896142509
Energy: 1.6275248613701399
Energy: 0.9301538895426301
Energy: 0.01557359594282917
Energy: 0.015028162810919676
Energy: 0.9270205564361759
Energy: 0.015029854367301624
Energy: 0.015573597853198942
Energy: 0.9301538895426301
Energy: 0.01557359548193993
Energy: 0.015028103439276897
Energy: 0.9270205564369074
Energy: 0.014863413188526521
Energy: 0.015201004262637695
Energy: 0.0151385733290757
Energy: 1.603547748195058
Energy: 0.015046332397054007
Energy: 0.015205978789392671
Energy: 0.014863413188526521
Energy: 0.015195027631328569
Energy: 0.015136503136917126
Energy: 2.0139578295004785
Energy: 0.9301538895433346
Energy: 0.015573597722607788
Energy: 0.015030825581087143
Energy: 0.9270205564361759
Energy: 0.015028347194087964
Energy: 0.015573597319590479
Energy: 0.9301538895421425
Energy: 0.015573598757366578
Energy: 0.01502813588386352
Energy: 0.9270205564371242
Energy: 0.014863413187090559
Energy: 0.015216447625067018
Energy: 0.015160565515110327
Energy: 1.6035477481938658
Energy: 0.015166086461997139
Energy: 0.015210356909352409
Energy: 0.014863413187578247
Energy: 0.015213173515087075
Energy: 0.015165756918713818
Energy: 2.1756441160910076
Energy: 0.9301538895418987
Energy: 0.01557359711679488
Energy: 0.015027908538427073
Energy: 0.9270205564364197
Energy: 0.015030946057198112
Energy: 0.015573595817710922
Energy: 0.9301538895426301
Energy: 0.01557359682318153
Energy: 0.015028221784584558
Energy: 0.9270205564369074
Energy: 0.014863413188526521
Energy: 0.015207680121091501
Energy: 0.015054203395354829
Energy: 1.6035477481943534
Energy: 0.015046164128238127
Energy: 0.015208785045724158
Energy: 0.014863413188526521
Energy: 0.015205237073305037
Energy: 0.015135719167790516
Energy: 2.0716131359868415

minimum gb energy = 0.014863413187090559 eV
minimum distance =  2.32542748962216 Angstroms
sigma value = 3


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

Energy: 1.4292436678169131
Energy: 1.4025379610566728
Energy: 1.2677496943773898
Energy: 1.422602967031122
Energy: 1.2677160535402567
Energy: 1.4029487939102327
Energy: 1.429243667816329
Energy: 1.4025379610584245
Energy: 1.2677496943756377
Energy: 1.3380548716381264
Energy: 1.2691733019037907
Energy: 1.317802078417101
Energy: 1.360946259493535
Energy: 1.2925573763995626
Energy: 1.2722808563848225
Energy: 1.244814279749938
Energy: 1.2691733019037907
Energy: 1.3178020784141808
Energy: 1.3609462594947033
Energy: 1.2925573763989784
Energy: 1.2613615459229361
Energy: 1.2534560591794304
Energy: 1.2445427137754024
Energy: 1.269406201885559
Energy: 1.2616125948996688
Energy: 1.2530940964220683
Energy: 1.2613615459200693
Energy: 1.2534560591794304
Energy: 1.2445427137730665
Energy: 1.2694062018861432
Energy: 1.1873002900261127
Energy: 1.2348227869426365
Energy: 1.1906011800565122
Energy: 1.2141946798202792
Energy: 1.1842960434276475
Energy: 1.2500384031136533
Energy: 1.1873002900290328
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Energy: 1.1906011800576801
Energy: 1.2141946798208632
Energy: 1.2094529749465976
Energy: 1.20775493538384
Energy: 1.2129731687359895
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Energy: 1.2077549353832557
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Energy: 1.2283471063707412
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Energy: 1.1981441013364884
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Energy: 1.198144101337072
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Energy: 1.1906819244662064
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Energy: 1.2605166260995733
Energy: 1.2842001132261633
Energy: 1.2677763965115205
Energy: 1.245115513919531
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Energy: 1.2904737756593225
Energy: 1.284200113230835
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Energy: 1.2548219101808191
Energy: 1.3989950628524108
Energy: 1.3763386770519856
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Energy: 1.2907605782526441
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Energy: 1.4293201454947002
Energy: 1.4185150808056486
Energy: 1.252373956481385
Energy: 1.3559592612044555
Energy: 1.32877398803051
Energy: 1.5313755967794949
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Energy: 1.4185150808062323
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Energy: 1.3287739880328462
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Energy: 1.1958667113946448
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Energy: 1.2146839721894096
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Energy: 1.1848539538836667
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Energy: 1.2932804244996134
Energy: 1.252767791770781
Energy: 1.1914908148580297
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Energy: 1.2527677917719489
Energy: 1.1914908148586136
Energy: 1.2076744858222426
Energy: 1.2755418826291436
Energy: 1.2529432234043623
Energy: 1.2778792124170937
Energy: 1.2262775225786697
Energy: 1.3600608556101828
Energy: 1.247440938631101
Energy: 1.2755418826326475
Energy: 1.2529432234031943
Energy: 1.2778792124211817
Energy: 1.2262775225786697
Energy: 1.3271778701610784
Energy: 1.3560238964323272
Energy: 1.252712809912904
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Energy: 1.3970396139600552
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Energy: 1.3271778701604944
Energy: 1.3560238964334954
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Energy: 1.3738569481053249
Energy: 1.430059621246753
Energy: 1.3778017150491122
Energy: 1.3760100933663286
Energy: 1.3992819338535871
Energy: 1.2907118457351467
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Energy: 1.4300596212444168
Energy: 1.377801715045608
Energy: 1.3760100933651607
Energy: 1.3992819338512512
Energy: 1.2546418041531626
Energy: 1.2365675283037876
Energy: 1.2677078166198332
Energy: 1.2495644121167082
Energy: 1.2911778653915194
Energy: 1.2502220198580267
Energy: 1.2546418041514107
Energy: 1.2365675283032036
Energy: 1.267707816616913
Energy: 1.2495644121178764
Energy: 1.260834689820634
Energy: 1.2306409968628371
Energy: 1.189697439958953
Energy: 1.2155228363392823
Energy: 1.1801095155756796
Energy: 1.2326960525140789
Energy: 1.2608346898235538
Energy: 1.2306409968610847
Energy: 1.1896974399595373
Energy: 1.2155228363404504
Energy: 1.1978329481977232
Energy: 1.2073355171915299
Energy: 1.2842776465155563
Energy: 1.228347106367237
Energy: 1.1886511022536577
Energy: 1.2524640124512116
Energy: 1.1978329482012275
Energy: 1.2073355171903621
Energy: 1.2842776465184766
Energy: 1.2574866217494804
Energy: 1.202821152681933
Energy: 1.2127635678465205
Energy: 1.2077910788144195
Energy: 1.2094652662847147
Energy: 1.2693091744173965
Energy: 1.1911823392349583
Energy: 1.202821152682517
Energy: 1.212763567845352
Energy: 1.2077910788144195
Energy: 1.2094652662829628
Energy: 1.2131858089876604
Energy: 1.1902073606004901
Energy: 1.2347878762878954
Energy: 1.1890117765734303
Energy: 1.2501049038622012
Energy: 1.1843353586229393
Energy: 1.2131858089835723
Energy: 1.190207360601658
Energy: 1.2347878762896474
Energy: 1.189011776568174
Energy: 1.2694062018861432
Energy: 1.2443500346622398
Energy: 1.2533557257209582
Energy: 1.2604811725676908
Energy: 1.2529746224719893
Energy: 1.261581885262145
Energy: 1.2694062018849752
Energy: 1.2443500346634078
Energy: 1.2384638702193385
Energy: 1.2604811725694427
Energy: 1.2920976741567827
Energy: 1.3700161466377232
Energy: 1.317834214953682
Energy: 1.268300710826029
Energy: 1.2448079156150884
Energy: 1.272445849296006
Energy: 1.2920976741556147
Energy: 1.3700161466406435
Energy: 1.31783421495485
Energy: 1.268300710826029
Energy: 1.339312439070474
Energy: 1.2677160535472651
Energy: 1.4029487939055605
Energy: 1.429243667824505
Energy: 1.4025379610613449
Energy: 1.267749694372718
Energy: 1.3393124390698903
Energy: 1.267716053546097
Energy: 1.4029487939061447
Energy: 1.429243667822753
Energy: 1.2925573763983942
Energy: 1.272280857352697
Energy: 1.2448142797476018
Energy: 1.269173301908463
Energy: 1.317802078415933
Energy: 1.3609462595034103
Energy: 1.2925573764089067
Energy: 1.2722808563474983
Energy: 1.2448142797493538
Energy: 1.2691733019078788
Energy: 1.2694062018861432
Energy: 1.2616125948932446
Energy: 1.2530940964203165
Energy: 1.2613615459241043
Energy: 1.2534560591753423
Energy: 1.2445427137771545
Energy: 1.2694062018861432
Energy: 1.2616125948938284
Energy: 1.2413048941190103
Energy: 1.2613615459194851
Energy: 1.2141946798202792
Energy: 1.1842960434235594
Energy: 1.2500384031200775
Energy: 1.187300290026697
Energy: 1.2348227869502284
Energy: 1.1906011800565122
Energy: 1.2141946798196952
Energy: 1.1842960434264795
Energy: 1.2500384031200775
Energy: 1.1873002900302008

minimum gb energy = 1.1797759006821207 eV
minimum distance =  2.2187609830757 Angstroms
sigma value = 75


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

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Energy: 1.3012283307912134
Energy: 1.1695237278009185
Energy: 1.4225832753790866
Energy: 1.3052092630092165
Energy: 1.4372502146545876
Energy: 1.6000479497796851
Energy: 1.3012283307923533
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Energy: 1.2679756336592445
Energy: 1.190346141118746
Energy: 1.1862227102307745
Energy: 1.2283080001895008
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Energy: 1.370975566371408
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Energy: 1.208466823984137
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Energy: 1.3049646475713879
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minimum gb energy = 1.1537650595257887 eV
minimum distance =  2.22666385856036 Angstroms
sigma value = 105


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

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Energy: 1.2601193577690075
Energy: 1.3808513757596417
Energy: 1.2692974395621066
Energy: 1.2961672615633135
Energy: 1.3593841452654383
Energy: 1.3006412047254705
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Energy: 1.3984142964289168
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Energy: 1.3006412047273994
Energy: 1.2964043240182175
Energy: 1.4348721826173974
Energy: 1.3832185625437616
Energy: 1.3651316007453276
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Energy: 1.2686909892485116
Energy: 1.2953632661110555
Energy: 1.3832185625437616
Energy: 1.365131600746292
Energy: 1.3360654620726902
Energy: 1.4670311115896884
Energy: 1.260613427011236
Energy: 1.3268456084593307
Energy: 1.2985544244415883
Energy: 1.2795578715965146
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Energy: 1.3035090607017614
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Energy: 1.399388795238399
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Energy: 1.4486024615206
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Energy: 1.3260479709274748
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Energy: 1.3412716623144936
Energy: 1.3065948624372306
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Energy: 1.2613925697128527
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Energy: 1.2851780140002869
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Energy: 1.2707912919955235
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Energy: 1.2687843107779024
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Energy: 1.2687843107798316
Energy: 1.260087256488222
Energy: 1.2792018403659597
Energy: 1.4248109959221296
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Energy: 1.4750080178949099
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Energy: 1.292217132002594
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Energy: 1.278493541700963
Energy: 1.2686911104557235
Energy: 1.4750080178968388
Energy: 1.3352711399750234
Energy: 1.2922171320035583
Energy: 1.3198761233086667
Energy: 1.2601657095196437
Energy: 1.2477872389537306
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Energy: 1.247787238954695
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Energy: 1.3819065296578137
Energy: 1.362036526115614
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Energy: 1.3819065296581352
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Energy: 1.2981513587330893
Energy: 1.2987453688667108
Energy: 1.2724879079469946
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Energy: 1.2602706473052359
Energy: 1.298151358733411
Energy: 1.2987453688622097
Energy: 1.2599718615202904
Energy: 1.2602413721736732
Energy: 1.4672196626227756
Energy: 1.2721896397330004
Energy: 1.2987295120976297
Energy: 1.2798936766875948
Energy: 1.2599718615231836
Energy: 1.2602413721768884
Energy: 1.467219662623097
Energy: 1.2721896397317143
Energy: 1.3389882300162133
Energy: 1.318742201128947
Energy: 1.2512520381783139
Energy: 1.2475768230933848
Energy: 1.3428855824779533
Energy: 1.2686098994952903
Energy: 1.3389882300139628
Energy: 1.3187422011337693
Energy: 1.2512520381728485
Energy: 1.2475768230908129
Energy: 1.2371935800000302
Energy: 1.3147787477340154
Energy: 1.5498307906750663
Energy: 1.3383908326574556
Energy: 1.3958218295782914
Energy: 1.2963832380936198
Energy: 1.237193580003245
Energy: 1.3147787477381947
Energy: 1.5498307906750663
Energy: 1.3383908326590341
Energy: 1.333100686825847
Energy: 1.2685459061947053
Energy: 1.2798056233394148
Energy: 1.3261689293284311
Energy: 1.293764564240802
Energy: 1.3371851869643243
Energy: 1.333100686825204
Energy: 1.2685459061972773
Energy: 1.2798056233439157
Energy: 1.3261689293242518
Energy: 1.2053010281053018
Energy: 1.2687378594715004
Energy: 1.2417536785612435
Energy: 1.2720523730939803
Energy: 1.4665209304569005
Energy: 1.3084281214016655
Energy: 1.2053010281040155
Energy: 1.2687378594695713
Energy: 1.241753678562529
Energy: 1.2720523730959092
Energy: 1.2606550468791315
Energy: 1.3354613692251884
Energy: 1.2593679070194737
Energy: 1.2775091895812183
Energy: 1.2822599026226844
Energy: 1.2617331270697512
Energy: 1.2606550468836324
Energy: 1.3354613692245456
Energy: 1.2593679070191524
Energy: 1.2775091895815396
Energy: 1.3017780918097703
Energy: 1.3103506867153136
Energy: 1.2620094920653269
Energy: 1.3824161327108253
Energy: 1.2691869266385198
Energy: 1.3419141471583549
Energy: 1.3017780918126638
Energy: 1.3103506867143493
Energy: 1.2620094920678988
Energy: 1.382416132710504

minimum gb energy = 1.2053010281040155 eV
minimum distance =  2.23987691021257 Angstroms
sigma value = 165


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

Energy: 1.3456679266066567
Energy: 1.361715937588528
Energy: 1.2581065771368536
Energy: 1.5276311699440202
Energy: 1.2582874017587893
Energy: 1.3612856017454265
Energy: 1.3456679266055531
Energy: 1.361715937591839
Energy: 1.2581065771357498
Energy: 1.407929945673832
Energy: 1.263255002644103
Energy: 1.267789648417213
Energy: 1.259162298536114
Energy: 1.3009463471657137
Energy: 1.270881958582961
Energy: 1.274778379937753
Energy: 1.2632550026452065
Energy: 1.2677896484194207
Energy: 1.2591622985372177
Energy: 1.3009463471657137
Energy: 1.278449726950283
Energy: 1.455612624124836
Energy: 1.3132117797523255
Energy: 1.2713041987382458
Energy: 1.263644619974383
Energy: 1.3188771630767904
Energy: 1.2784497269491795
Energy: 1.455612624124836
Energy: 1.313211779751222
Energy: 1.2713041987404532
Energy: 1.2651483362231377
Energy: 1.2644086718404266
Energy: 1.262058238857962
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Energy: 1.2620582388568586
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Energy: 1.2632572434969422
Energy: 1.2635233461694135
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Energy: 1.2990331446749364
Energy: 1.2702181605529939
Energy: 1.3602930218736748
Energy: 1.267828768587092
Energy: 1.3275566536542316
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Energy: 1.3037633655597054
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Energy: 1.2637186789298755
Energy: 1.2630593166024997
Energy: 1.2796766147250183
Energy: 1.272518585159621
Energy: 1.2794558292715217
Energy: 1.2769312465141445
Energy: 1.2652763829340254
Energy: 1.25822328231541
Energy: 1.3164383155438244
Energy: 1.2725185851585172
Energy: 1.279455829270418
Energy: 1.276931246515248
Energy: 1.2652763829296108
Energy: 1.3031457934693158
Energy: 1.265042888738274
Energy: 1.3274815143123855
Energy: 1.2676905637920355
Energy: 1.2606592755717112
Energy: 1.261238780702436
Energy: 1.3031457934682122
Energy: 1.2650428887404315
Energy: 1.327481514311282
Energy: 1.2676905637909823
Energy: 1.3602592289933504
Energy: 1.270229101962294
Energy: 1.2990072894417963
Energy: 1.455363456716229
Energy: 1.2634424820770256
Energy: 1.2637115307338889
Energy: 1.3602592289922468
Energy: 1.270229101962294
Energy: 1.2990072894417963
Energy: 1.4553634567173326
Energy: 1.274915181353451
Energy: 1.2609133735966667
Energy: 1.263699396819167
Energy: 1.265039804992198
Energy: 1.2700871046780935
Energy: 1.276441066719272
Energy: 1.2749151813567619
Energy: 1.260913373595563
Energy: 1.263699396819167
Energy: 1.2650398049899905
Energy: 1.2726942714145049
Energy: 1.3132117797501182
Energy: 1.455602106236233
Energy: 1.278479614088909
Energy: 1.3188771630746332
Energy: 1.26318705577401
Energy: 1.272694271413401
Energy: 1.313211779751222
Energy: 1.455602106236233
Energy: 1.2784796140878052
Energy: 1.3009024405586096
Energy: 1.260773962095799
Energy: 1.2679389604387319
Energy: 1.2629590454070792
Energy: 1.2747875248974263
Energy: 1.2707131340270852
Energy: 1.3009024405597134
Energy: 1.260773962095799
Energy: 1.2679389604398354
Energy: 1.2629590454048716
Energy: 1.407929945673832
Energy: 1.2582874017609968
Energy: 1.361285601744323
Energy: 1.3456679266066567
Energy: 1.3617159375874242
Energy: 1.2581065771335425
Energy: 1.4079299456749357
Energy: 1.2582874017621006
Energy: 1.3612856017454265
Energy: 1.3456679266066567

minimum gb energy = 1.2581065771335425 eV
minimum distance =  2.22121508597837 Angstroms
sigma value = 41


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

Energy: 1.2212764448645557
Energy: 1.2221506157617168
Energy: 1.1450113597512874
Energy: 1.5108509945075606
Energy: 1.1435288304047813
Energy: 1.1415108288548796
Energy: 1.221276444867125
Energy: 1.2221506157621451
Energy: 1.1450113597470049
Energy: 1.1753265320310267
Energy: 1.1523028369739718
Energy: 1.2102519131402771
Energy: 1.143488369643461
Energy: 1.1537501272385107
Energy: 1.1369906359342306
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Energy: 1.1523028369696897
Energy: 1.2102519131407055
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Energy: 1.1537501272406516
Energy: 1.2504195327423637
Energy: 1.13658965005451
Energy: 1.1911666761200306
Energy: 1.1398406394534386
Energy: 1.1383025496704022
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Energy: 1.2504195327397942
Energy: 1.136589650054082
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Energy: 1.139840639450013
Energy: 1.1368782620838567
Energy: 1.112347412064086
Energy: 1.1352696532759825
Energy: 1.1374909647156495
Energy: 1.1811056076565625
Energy: 1.1431649584338976
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Energy: 1.1123474120598038
Energy: 1.135269653271272
Energy: 1.1374909647143647
Energy: 1.1449341217745896
Energy: 1.107877953369627
Energy: 1.166121010977106
Energy: 1.144390290712993
Energy: 1.20928368418758
Energy: 1.1433689112094099
Energy: 1.144934121775018
Energy: 1.1078779533704834
Energy: 1.1661210109758213
Energy: 1.144390290712565
Energy: 1.1790517477383928
Energy: 1.1939119892202157
Energy: 1.2152572639642412
Energy: 1.1433490744055874
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Energy: 1.2152572639591024
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Energy: 1.1365201403950769
Energy: 1.194676768388725
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Energy: 1.1389092859905185
Energy: 1.1918997501568496
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Energy: 1.1390448902570092
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Energy: 1.1961382833013177
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Energy: 1.143918201209951
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Energy: 1.1855526397147884
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Energy: 1.1370956402295491
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Energy: 1.1879987226969062
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Energy: 1.2158562302382632
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Energy: 1.1771225070838085
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Energy: 1.1925260640580626
Energy: 1.1367409604067842
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Energy: 1.2094251911328768
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Energy: 1.2125363614719245
Energy: 1.179584415579282
Energy: 1.1430453799926956
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Energy: 1.212536361469355
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Energy: 1.143045379987985
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Energy: 1.1365908433819973
Energy: 1.1382443456918863
Energy: 1.1434680113197113
Energy: 1.1537983222492096
Energy: 1.137566409355732
Energy: 1.1353105729353519
Energy: 1.1365908433802845
Energy: 1.138244345697025
Energy: 1.1434680113295603
Energy: 1.1537983222479251
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Energy: 1.1370057094361488
Energy: 1.191802910484964
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Energy: 1.1370057094412873
Energy: 1.191802910481966
Energy: 1.1391597869676124
Energy: 1.2077709762048212
Energy: 1.1089317802833676
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Energy: 1.1435434676253675
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Energy: 1.179715093508546
Energy: 1.1364801051864641
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Energy: 1.1346009262133843
Energy: 1.1804342726865935
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Energy: 1.1365465958788616
Energy: 1.1441087189280157
Energy: 1.1086112290786054
Energy: 1.1346009262198078
Energy: 1.1804342726870216
Energy: 1.14339742893591
Energy: 1.1349283063810645
Energy: 1.19403092636628
Energy: 1.1368197978104262
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Energy: 1.1370560689963696
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Energy: 1.1434926485245707
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Energy: 1.2493271244806978
Energy: 1.2503285573125045
Energy: 1.1881724727675047
Energy: 1.1385298830741029
Energy: 1.1392469022698062
Energy: 1.1902889894405155
Energy: 1.2493271244841238
Energy: 1.2503285573103633
Energy: 1.1881724727747842
Energy: 1.1430002235708845
Energy: 1.1365580958030725
Energy: 1.1927447627325936
Energy: 1.1352320220530163
Energy: 1.1370566606830885
Energy: 1.1889642302266874
Energy: 1.1430002235695997
Energy: 1.1365580958086396
Energy: 1.1927447627343062
Energy: 1.1352320220513035
Energy: 1.1433639221012453
Energy: 1.109165709911675
Energy: 1.1349612978106112
Energy: 1.1080104320417146
Energy: 1.143715312208198
Energy: 1.137719016703266
Energy: 1.1433639221038143
Energy: 1.1091657099078207
Energy: 1.1349612978110395
Energy: 1.1080104320370041
Energy: 1.1364743580256282
Energy: 1.1907734635630005
Energy: 1.1090730258615606
Energy: 1.2117018575963603
Energy: 1.143659707063388
Energy: 1.1361848120278117
Energy: 1.1364743580256282
Energy: 1.1907734635552925
Energy: 1.1090730258632735
Energy: 1.2117018575929346
Energy: 1.1380458885723992
Energy: 1.1903253416827642
Energy: 1.137851518812193
Energy: 1.1366323369428364
Energy: 1.1897643215729912
Energy: 1.1402592311868769
Energy: 1.1380458885796791
Energy: 1.1903253416819075
Energy: 1.1378515188156189
Energy: 1.1366323369449387
Energy: 1.1917707756878482
Energy: 1.1433995313596677
Energy: 1.1363364271585803
Energy: 1.1325366673546098
Energy: 1.1351814636957158
Energy: 1.1376070403455631
Energy: 1.191770775685279
Energy: 1.143399531354529
Energy: 1.1363364271607213
Energy: 1.1325366673580355
Energy: 1.2098767538467243
Energy: 1.143279545028458
Energy: 1.1444250328700956
Energy: 1.125574433408386
Energy: 1.1862205841576439
Energy: 1.1881454764381532
Energy: 1.2098767538475812
Energy: 1.143279545024176
Energy: 1.144425032863672
Energy: 1.1255744334537776
Energy: 1.173514429861151
Energy: 1.1382550552217583
Energy: 1.3159617480936843
Energy: 1.1944703403377046
Energy: 1.2144093323020815
Energy: 1.1434051190167631
Energy: 1.1735144298577256
Energy: 1.1382550552200452
Energy: 1.3159617480949688
Energy: 1.1944703403282837

minimum gb energy = 1.107877953369627 eV
minimum distance =  2.28316797049015 Angstroms
sigma value = 185


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

Energy: 1.2282485931667595
Energy: 1.1668954481109006
Energy: 1.1383562970200065
Energy: 1.585840932121116
Energy: 1.1381435456264712
Energy: 1.1836966538885216
Energy: 1.2282485931718425
Energy: 1.1668954481109006
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Energy: 1.563413542032654
Energy: 1.3705397238023183
Energy: 1.3048157864851324
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Energy: 1.203059644327904
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Energy: 1.4912111785923734
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Energy: 1.2563713346315288
Energy: 1.2043468909421713
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Energy: 1.1394331346055953
Energy: 1.261317403120835
Energy: 1.180839551362289
Energy: 1.2325973134584849
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Energy: 1.328858053455205
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Energy: 1.18422221881013
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Energy: 1.2041396225751364
Energy: 1.199833722506153
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Energy: 1.1815079340773857
Energy: 1.2564062038736146
Energy: 1.165510037800377
Energy: 1.1661533516943412
Energy: 1.3692528638908055
Energy: 1.4553453803669223
Energy: 1.4991465965063815
Energy: 1.1657137165117413
Energy: 1.2397592313421049
Energy: 1.1700605155166182
Energy: 1.1681435454559999
Energy: 1.4553453803638725
Energy: 1.4991465965114645
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Energy: 1.2397592313482049
Energy: 1.1940366171166852
Energy: 1.203094891013677
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Energy: 1.1653121945566465
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Energy: 1.3490113744997134
Energy: 1.2315210367608533
Energy: 1.4329336772159686
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Energy: 1.1425520900709765
Energy: 1.2620671719231131
Energy: 1.1427230456475017
Energy: 1.1383562970215313
Energy: 1.4329336772164771
Energy: 1.1380573665647906
Energy: 1.14255209006996
Energy: 1.2620671719241299
Energy: 1.2012600450310702
Energy: 1.1648974867688628
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Energy: 1.2318028149037108
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Energy: 1.2030596443228208
Energy: 1.2012600450320867
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Energy: 1.193061947073698
Energy: 1.231802814902186
Energy: 1.322810766346515
Energy: 1.1681687623497938
Energy: 1.2319718259182004
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Energy: 1.1660400928988135
Energy: 1.4991465965170099
Energy: 1.3228107663505815
Energy: 1.1681687623472523
Energy: 1.2319718259161672
Energy: 1.1713111666453206
Energy: 1.2563331712357442
Energy: 1.2133752186910793
Energy: 1.2318230651271305
Energy: 1.4846311538423629
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Energy: 1.2563331712377772
Energy: 1.2133752186834545
Energy: 1.2318230651276387
Energy: 1.4846311538403296
Energy: 1.2613174031177852
Energy: 1.180839551362797
Energy: 1.2325973134554349
Energy: 1.2043468909457296
Energy: 1.202883900519468
Energy: 1.1394331346045785
Energy: 1.26131740311931
Energy: 1.1808395513617804
Energy: 1.2325973134610264
Energy: 1.2043468909447128
Energy: 1.19437784992848
Energy: 1.218839402663187
Energy: 1.268041920163508
Energy: 1.1653424199985636
Energy: 1.1382616673525132
Energy: 1.2818037769154293
Energy: 1.1943778499279718
Energy: 1.2188394026606455
Energy: 1.268041920161983
Energy: 1.1856050568567629
Energy: 1.2259540621541596
Energy: 1.3288580534572383
Energy: 1.1945185036343917
Energy: 1.2181437760741094
Energy: 1.18169737036603
Energy: 1.1383416975477154
Energy: 1.225954062156193
Energy: 1.3288580534572383
Energy: 1.1945185036313417
Energy: 1.2181437760822424
Energy: 1.1998337225000533
Energy: 1.2331053642172571
Energy: 1.1448048130042463
Energy: 1.2305503635186053
Energy: 1.138526258588303
Energy: 1.2039701311204958
Energy: 1.1998337224990367
Energy: 1.2331053642182737
Energy: 1.144804813002721
Energy: 1.230550363516572
Energy: 1.369252863896859
Energy: 1.232123608047272
Energy: 1.1815079340809442
Energy: 1.256406203874123
Energy: 1.1655100377998688
Energy: 1.1661533516973912
Energy: 1.3692528638933468
Energy: 1.2321236080503217
Energy: 1.1815079340809442
Energy: 1.2564062038751398
Energy: 1.1972238278240896
Energy: 1.170060515522718
Energy: 1.1683519276596221
Energy: 1.4553453803623475
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Energy: 1.17006051551611
Energy: 1.1683519276575889
Energy: 1.4553453803720056
Energy: 1.2040731951124186
Energy: 1.2231912499532571
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Energy: 1.2033417482396447
Energy: 1.3224097741260006
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Energy: 1.2231912499537656
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Energy: 1.1383562970215313
Energy: 1.3591581994598698
Energy: 1.1381435456254547
Energy: 1.1836966538839466
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Energy: 1.1668954481139506
Energy: 1.138356297024073
Energy: 1.3591581994639366
Energy: 1.3705397238028265
Energy: 1.3048157864876742
Energy: 1.2030596443238377
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Energy: 1.1659962397805
Energy: 1.4912111785913569
Energy: 1.4528426230205895
Energy: 1.1681687623472523
Energy: 1.1978750921538361
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Energy: 1.1659962397840584
Energy: 1.4912111785862738
Energy: 1.4528426230149982
Energy: 1.4846311538433796
Energy: 1.1650898569002006
Energy: 1.1386865434974858
Energy: 1.256371334627462
Energy: 1.2133752186895543
Energy: 1.2318230651291635
Energy: 1.4846311538464294
Energy: 1.165089856891051
Energy: 1.138686543494436
Energy: 1.2563713346315288
Energy: 1.2043468909396293
Energy: 1.2028839005215013
Energy: 1.1394331346055953
Energy: 1.26131740311931
Energy: 1.180839551364322
Energy: 1.2325973134615347
Energy: 1.204346890940646
Energy: 1.202883900516418
Energy: 1.1394331346071203
Energy: 1.261317403118802
Energy: 1.1653346070355624
Energy: 1.1382616673540382
Energy: 1.209327427595537
Energy: 1.1943778499259385
Energy: 1.215106382244059
Energy: 1.2680419201614745
Energy: 1.1653346070330206
Energy: 1.1382616673530217
Energy: 1.2093274275929957
Energy: 1.1943778499289883
Energy: 1.2185545261047361
Energy: 1.1510029639050314
Energy: 1.1383505012503488
Energy: 1.2426822298190154
Energy: 1.3288580534562215
Energy: 1.1945185036323582
Energy: 1.2185545261067696
Energy: 1.1510029639045232
Energy: 1.1383505012432322
Energy: 1.2426822298266402
Energy: 1.2305503635186053
Energy: 1.1381787804355088
Energy: 1.2041396225781864
Energy: 1.1998337225025948
Energy: 1.2331053642157321
Energy: 1.1448048130032296
Energy: 1.2305503635145385
Energy: 1.1381787804385588
Energy: 1.2041396225715784
Energy: 1.1998337224959867
Energy: 1.2564062038786978
Energy: 1.1655100377993606
Energy: 1.1661533516973912
Energy: 1.3692528638953343
Energy: 1.2321236080421887
Energy: 1.1815079340804358
Energy: 1.256406203874123
Energy: 1.1655100377978358
Energy: 1.1661533516958662
Energy: 1.369252863891822
Energy: 1.4553453803674306
Energy: 1.4991465965114645
Energy: 1.165713716513266
Energy: 1.2397592313431214
Energy: 1.1700605155237345
Energy: 1.1681435454549833
Energy: 1.455345380364381
Energy: 1.4991465965165016
Energy: 1.1657137165152995
Energy: 1.239759231348713
Energy: 1.194036617113127
Energy: 1.203094891015202
Energy: 1.3490113744976802
Energy: 1.2315210367623781
Energy: 1.193061947073698
Energy: 1.1653121945581715
Energy: 1.19403661711516
Energy: 1.2030948910146937
Energy: 1.3490113744981884
Energy: 1.2315210367593281

minimum gb energy = 1.1380573665647906 eV
minimum distance =  2.23435259567061 Angstroms
sigma value = 33


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

Energy: 1.3618294970681835
Energy: 1.2096685354796421
Energy: 1.2106606731611065
Energy: 1.5705889728042721
Energy: 1.210148104024857
Energy: 1.2118313187889413
Energy: 1.3618294970695783
Energy: 1.209668535482991
Energy: 1.210660673164176
Energy: 1.4131270453462756
Energy: 1.536453043415482
Energy: 1.2645708826549649
Energy: 1.2103849227069852
Energy: 1.2057528932384756
Energy: 1.2002617581249937
Energy: 1.2135808435038289
Energy: 1.5364530434182722
Energy: 1.2645708826544066
Energy: 1.2103849227078223
Energy: 1.2057528932370805
Energy: 1.2346170404445655
Energy: 1.2124290200167644
Energy: 1.2104834532544932
Energy: 1.4679662994134275
Energy: 1.2017710889300097
Energy: 1.1986871934774017
Energy: 1.2346170404395425
Energy: 1.2124290200111834
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Energy: 1.4679662994114742
Energy: 1.2129533833052992
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Energy: 1.2124723823643675
Energy: 1.2514830861585664
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Energy: 1.2124723823624142
Energy: 1.2514830861638686
Energy: 1.2662634760234126
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Energy: 1.5146711034768607
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Energy: 1.2519778051668788
Energy: 1.2662634760209013
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Energy: 1.212628056550231
Energy: 1.2538834388189133
Energy: 1.2504166292684358
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Energy: 1.3737452818063163
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Energy: 1.21055233811101
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Energy: 1.2188941260464319
Energy: 1.2224213310426297
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Energy: 1.266128308056148
Energy: 1.2176163931927473
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Energy: 1.2661283080558692
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Energy: 1.2004790513105752
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Energy: 1.3649487497457793
Energy: 1.212573687497337
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Energy: 1.252286021401744
Energy: 1.3649487497460582
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Energy: 1.2105713816361567
Energy: 1.198471011086158
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Energy: 1.1984710110847627
Energy: 1.2111955557034988
Energy: 1.3886132319442106
Energy: 1.2092428569090248
Energy: 1.227111062467507
Energy: 1.3486601016479238
Energy: 1.2336773047784853
Energy: 1.2111955557029404
Energy: 1.3886132319495126
Energy: 1.2092428569087454
Energy: 1.2271110624677857
Energy: 1.2104754434535154
Energy: 1.2059009817953845
Energy: 1.199956119176526
Energy: 1.2424322185763967
Energy: 1.2032739295716275
Energy: 1.248725466178067
Energy: 1.2104754434512832
Energy: 1.205900981790387
Energy: 1.1999561191768047
Energy: 1.2424322185772338
Energy: 1.202667072602904
Energy: 1.4564581393450404
Energy: 1.2022643820965393
Energy: 1.1978891791816166
Energy: 1.2704934007794115
Energy: 1.2182149273931657
Energy: 1.2026670726054154
Energy: 1.4564581393419709
Energy: 1.2022643820979346
Energy: 1.1978891791858022
Energy: 1.2126282167957683
Energy: 1.3005091853808863
Energy: 1.2151066788725409
Energy: 1.2520984536314341
Energy: 1.2257137841686578
Energy: 1.2126143597468775
Energy: 1.2126282167993958
Energy: 1.3005091853822819
Energy: 1.2151066788750524
Energy: 1.252098453630318
Energy: 1.1981604370470385
Energy: 1.5136113556291597
Energy: 1.2225870714018994
Energy: 1.2521395257624288
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Energy: 1.2807721955683595
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Energy: 1.520193196803396
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Energy: 1.2091927355248264
Energy: 1.2125058761279968
Energy: 1.275427915085384
Energy: 1.2364424030293153
Energy: 1.1957790366432035
Energy: 1.1975051706472397
Energy: 1.2091927355198033
Energy: 1.2125058761266019
Energy: 1.275427915086779
Energy: 1.236442403033222
Energy: 1.2113051097483607
Energy: 1.2513627243963112
Energy: 1.2211916714311026
Energy: 1.1982412848745452
Energy: 1.241720020532281
Energy: 1.2118687695437431
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Energy: 1.2513627243982648
Energy: 1.2211916714347304
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Energy: 1.2101287584331128
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Energy: 1.406270622300952
Energy: 1.353247664974811
Energy: 1.2101287584328337
Energy: 1.25245876927017
Energy: 1.2691945186529785
Energy: 1.2522670290285822

minimum gb energy = 1.1946980547541703 eV
minimum distance =  2.26109425352964 Angstroms
sigma value = 219


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

Energy: 1.1103381501941938
Energy: 1.0141202439477717
Energy: 1.0092128941480505
Energy: 1.4019175994057314
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Energy: 1.10602289041483
Energy: 1.0501857337017286
Energy: 1.041516028449998
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Energy: 1.0076143427580866
Energy: 1.0420531869223577
Energy: 1.042734499337352
Energy: 1.0113477197304017
Energy: 1.0070335051501864
Energy: 1.0427120211563692
Energy: 1.0299645909401918
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Energy: 1.0427344993377297
Energy: 1.011347719731136
Energy: 1.0070335051496406
Energy: 1.0092330734696418
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Energy: 1.0083310893891635
Energy: 1.1251603009419573
Energy: 1.0608255778771105
Energy: 1.014043180281277
Energy: 1.0092330734687183
Energy: 1.0100190101370106
Energy: 1.008331089388597
Energy: 1.1251603009417683

minimum gb energy = 1.0070335051496406 eV
minimum distance =  2.25965301584487 Angstroms
sigma value = 15


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

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Energy: 1.3050822197384933
Energy: 1.2493415326083033
Energy: 1.6386160973907846
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minimum gb energy = 1.2222564959628839 eV
minimum distance =  2.24809074746559 Angstroms
sigma value = 293


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

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Energy: 1.556016963636473
Energy: 1.3878430066766498
Energy: 1.3061245499091383
Energy: 1.5167132515835728
Energy: 1.3060441005920087
Energy: 1.4482768083756359
Energy: 1.5560169636381413
Energy: 1.387843006674564
Energy: 1.3061245499091383
Energy: 1.5167132515827384
Energy: 1.2290240917109378
Energy: 1.4248730544744705
Energy: 1.305386527518683
Energy: 1.24440512827331
Energy: 1.2733211105833255
Energy: 1.3783990188844089
Energy: 1.2290240917134405
Energy: 1.4248730544748878
Energy: 1.305386527518266
Energy: 1.2444051282737272
Energy: 1.3244202057986845
Energy: 1.2260012872051969
Energy: 1.2705157768162147
Energy: 1.3147385868945858
Energy: 1.4027888124059211
Energy: 1.2073427406538455
Energy: 1.3244202057982675
Energy: 1.226001287203111
Energy: 1.2705157768157975
Energy: 1.3147385868941683
Energy: 1.3918835424808524
Energy: 1.2291844105735263
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Energy: 1.4095773443611952
Energy: 1.269961484171013
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Energy: 1.2291844105739433
Energy: 1.4793747485519058
Energy: 1.4095773443624466
Energy: 1.2346926823602866
Energy: 1.3362317887860238
Energy: 1.3076350894810524
Energy: 1.2193025719934094
Energy: 1.4339842384398644
Energy: 1.2153372209983209
Energy: 1.2346926823586182
Energy: 1.3362317887864408
Energy: 1.3076350894814697
Energy: 1.2193025719921582
Energy: 1.2341943310148424
Energy: 1.235053692254902
Energy: 1.3090674855694435
Energy: 1.5044224061685854
Energy: 1.323698933178419
Energy: 1.2356330940934601
Energy: 1.234194331014008
Energy: 1.2350536922561537
Energy: 1.3090674855698605
Energy: 1.5044224061681684
Energy: 1.305569927646766
Energy: 1.4086381446542213
Energy: 1.3345166483414108
Energy: 1.3220944077708434
Energy: 1.2433723181998426
Energy: 1.324789115920285
Energy: 1.305569927646766
Energy: 1.4086381446542213
Energy: 1.3345166483447484
Energy: 1.3220944077708434
Energy: 1.3157801345575193
Energy: 1.2780674784573627
Energy: 1.278054566148079
Energy: 1.3157371145298005
Energy: 1.2314020197569222
Energy: 1.2315802200083368
Energy: 1.3157801345583537
Energy: 1.278067478456111
Energy: 1.2780545661489133
Energy: 1.3157371145298005
Energy: 1.3222411390165012
Energy: 1.3344321162539357
Energy: 1.4086819511011668
Energy: 1.3055734918682185
Energy: 1.3247412162095848
Energy: 1.2436431239875894
Energy: 1.3222411390165012
Energy: 1.3344321162543527
Energy: 1.4086819511015838
Energy: 1.3055734918690527
Energy: 1.5042314019644645
Energy: 1.30906936320786
Energy: 1.2352259281488829
Energy: 1.2340743274349333
Energy: 1.235690157862593
Energy: 1.3235319884165087
Energy: 1.5042314019619616
Energy: 1.309069363207443
Energy: 1.2352259281484659
Energy: 1.2340743274332644
Energy: 1.219305480962944
Energy: 1.3074349282757678
Energy: 1.3362317887881094
Energy: 1.234740235652879
Energy: 1.2154071150721926
Energy: 1.4339842384394474
Energy: 1.219305480963361
Energy: 1.3074349282740991
Energy: 1.336231788786858
Energy: 1.234740235652879
Energy: 1.40939253240911
Energy: 1.4795764899200807
Energy: 1.2290146161826574
Energy: 1.3918462787215904
Energy: 1.3162303303311274
Energy: 1.2698080391964939
Energy: 1.4093925324095273
Energy: 1.479576489923418
Energy: 1.2290146161818227
Energy: 1.3918462787220076

minimum gb energy = 1.207339665144269 eV
minimum distance =  2.22189714605803 Angstroms
sigma value = 293


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

Energy: 0.9950465703683289
Energy: 1.2680011172112013
Energy: 1.0119121972981713
Energy: 1.842751952889911
Energy: 1.0118830231431377
Energy: 1.2682406179107566
Energy: 0.9950465703690828
Energy: 1.2680011172104477
Energy: 1.0119121972966632
Energy: 1.2928822455283393
Energy: 1.052379318498006
Energy: 1.4563190060386353
Energy: 1.0116007734687529
Energy: 1.3146629336048126
Energy: 1.315302412961069
Energy: 1.012204392158291
Energy: 1.052379318495744
Energy: 1.4499718549799665
Energy: 1.011600773467245
Energy: 1.3146629336048126
Energy: 1.075209474537984
Energy: 0.9942373037692185
Energy: 1.516657597178659
Energy: 0.9928378445057817
Energy: 1.0518447840407206
Energy: 1.011295111787332
Energy: 1.0752094745364762
Energy: 0.9942373037692185
Energy: 1.516657597178659
Energy: 0.9928378444967342
Energy: 1.516453877455066
Energy: 0.9944285009761189
Energy: 1.0753659830369755
Energy: 1.0113139770780744
Energy: 1.0513919608032252
Energy: 0.9925897890031236
Energy: 1.516453877455066
Energy: 0.9944285009761189
Energy: 1.0753659830354678
Energy: 1.0113139770780744
Energy: 1.0109594573573166
Energy: 1.4563190060363733
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Energy: 1.315246681306282
Energy: 1.3147806414426448
Energy: 1.0109594573573166
Energy: 1.4563190060371272
Energy: 1.052731633643789
Energy: 1.0143062400147098
Energy: 1.0118830231431377
Energy: 1.2827598267066922
Energy: 0.9950465703690828
Energy: 1.2680011172119556
Energy: 1.0119121973004332
Energy: 1.6492495307918296
Energy: 1.0118830231431377
Energy: 1.2682406179197696
Energy: 0.9950465703698368
Energy: 1.2680011172157253
Energy: 1.315302412961069
Energy: 1.012204392159045
Energy: 1.052379318496498
Energy: 1.4499718549799665
Energy: 1.0116007734687529
Energy: 1.3146629336048126
Energy: 1.315302412961069
Energy: 1.012204392158291
Energy: 1.052379318498006
Energy: 1.3417634616334468
Energy: 1.0518447840399667
Energy: 1.01129511178884
Energy: 1.075209474537984
Energy: 0.9942373037684646
Energy: 1.516657597178659
Energy: 0.9928378445050277
Energy: 1.0518447840392129
Energy: 1.011295111787332
Energy: 1.0752094745372303
Energy: 0.9942373037692185
Energy: 1.0513919608032252
Energy: 0.9925897890136791
Energy: 1.516453877455066
Energy: 0.9944285009761189
Energy: 1.0753659830347138
Energy: 1.0113139770780744
Energy: 1.0513919608032252
Energy: 0.9925897890611443
Energy: 1.516453877455066
Energy: 0.9944285009761189
Energy: 1.315246681306282
Energy: 1.3147806414426448
Energy: 1.0109594573573166
Energy: 1.4563190060363733
Energy: 1.052731633646805
Energy: 1.0143062400154639
Energy: 1.315246681306282
Energy: 1.314780641441891
Energy: 1.0109594573573166
Energy: 1.4563190060348652
Energy: 1.0119121972974172
Energy: 1.6492495307940915
Energy: 1.0118830231423839
Energy: 1.2682406179212775
Energy: 0.9950465703675749
Energy: 1.2680011172119556
Energy: 1.0119121972996792
Energy: 1.2928822455313551
Energy: 1.0118830231423839
Energy: 1.2682406179152463
Energy: 1.011600773467999
Energy: 1.3104363213831078
Energy: 1.315302412961069
Energy: 1.012204392159045
Energy: 1.052379318495744
Energy: 1.3417634616364624
Energy: 1.0116007734687529
Energy: 1.3146629336048126
Energy: 1.315302412961069
Energy: 1.0122043921597987
Energy: 1.516657597178659
Energy: 0.99283784457285
Energy: 1.0518447840407206
Energy: 1.01129511178884
Energy: 1.0752094745387382
Energy: 0.9942373037692185
Energy: 1.516657597178659
Energy: 0.9928378445057817
Energy: 1.0518447840407206
Energy: 1.011295111787332
Energy: 1.0753659830354678
Energy: 1.0113139770780744
Energy: 1.0513919608032252
Energy: 0.9925897888237492
Energy: 1.516453877455066
Energy: 0.994428500974611
Energy: 1.0753659830332059
Energy: 1.0113139770780744
Energy: 1.0513919608024713
Energy: 0.992589788939071
Energy: 1.052731633645297
Energy: 1.0143062400154639
Energy: 1.315246681306282
Energy: 1.314780641441891
Energy: 1.0109594573573166
Energy: 1.4563190060378812
Energy: 1.052731633645297
Energy: 1.0143062400154639
Energy: 1.315246681306282
Energy: 1.314780641443399
Energy: 0.9950465703683289
Energy: 1.2680011172074317
Energy: 1.0119121972974172
Energy: 1.2282992993935584
Energy: 1.0118830231431377
Energy: 1.2827598267097082
Energy: 0.9950465703675749
Energy: 1.2680011172164793
Energy: 1.0119121973004332
Energy: 1.228296290085721
Energy: 1.0523793184949901
Energy: 1.3417634616364624
Energy: 1.011600773467999
Energy: 1.283564584908114
Energy: 1.3153024129618232
Energy: 1.012204392158291
Energy: 1.05237931849876
Energy: 1.2314479429876468
Energy: 1.0116007734687529
Energy: 1.3146629336048126
Energy: 1.0752094745372303
Energy: 0.9942373037692185
Energy: 1.516657597178659
Energy: 0.9928378445223689
Energy: 1.0518447840399667
Energy: 1.011295111788086
Energy: 1.0752094745387382
Energy: 0.9942373037684646
Energy: 1.516657597178659
Energy: 0.9928378445170911
Energy: 1.51645387745582
Energy: 0.9944285009761189
Energy: 1.0753659830384834
Energy: 1.0113139770780744
Energy: 1.0513919608032252
Energy: 0.992589789272905
Energy: 1.51645387745582
Energy: 0.9944285009761189
Energy: 1.0753659830392375
Energy: 1.0113139770780744
Energy: 1.0109594573573166
Energy: 1.4563190060393891
Energy: 1.052731633645297
Energy: 1.014306240013956
Energy: 1.3152466813055277
Energy: 1.3147806414426448
Energy: 1.0109594573573166
Energy: 1.4563190060386353
Energy: 1.052731633646051
Energy: 1.0143062400147098
Energy: 1.0118830231423839
Energy: 1.2548364476472684
Energy: 0.9950465703690828
Energy: 1.2680011172029078
Energy: 1.0119121972974172
Energy: 1.2282941159942482
Energy: 1.0118830231431377
Energy: 1.2548364476457603
Energy: 0.9950465703690828
Energy: 1.2680011172157253
Energy: 1.3153024129618232
Energy: 1.012204392158291
Energy: 1.052379318498006
Energy: 1.2314479429914165
Energy: 1.011600773467999
Energy: 1.2538486783239429
Energy: 1.3153024129618232
Energy: 1.012204392158291
Energy: 1.052379318495744
Energy: 1.2314479429876468

minimum gb energy = 0.9925897888237492 eV
minimum distance =  2.26136200256639 Angstroms
sigma value = 15


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

Energy: 1.4410164743278449
Energy: 1.4074036286348792
Energy: 1.1976251583951711
Energy: 1.6340264182628637
Energy: 1.1973442539480548
Energy: 1.4013548363689976
Energy: 1.4410164743305791
Energy: 1.4074036286335123
Energy: 1.1976251583941457
Energy: 1.2958384532425313
Energy: 1.250585708114055
Energy: 1.4214694615048338
Energy: 1.198300740266875
Energy: 1.1562299751902485
Energy: 1.1873819113884574
Energy: 1.1842079450524654
Energy: 1.250585708112004
Energy: 1.4214694615082517
Energy: 1.1983007402716601
Energy: 1.1562299751840965
Energy: 1.2907979365593247
Energy: 1.1411066516942716
Energy: 1.3266885396112673
Energy: 1.1954976047052293
Energy: 1.3013687900023045
Energy: 1.2351534920805982
Energy: 1.2907979365572744
Energy: 1.1411066516905122
Energy: 1.3266885396157102
Energy: 1.195497604704204
Energy: 1.2912381597552858
Energy: 1.141243439747826
Energy: 1.217503910934693
Energy: 1.1652199917030361
Energy: 1.308191423894827
Energy: 1.1310191426819813
Energy: 1.2912381597576783
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Energy: 1.1652199917030361
Energy: 1.312966373338872
Energy: 1.3526488631322946
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Energy: 1.2720323220618444
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Energy: 1.3129663733426313
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Energy: 1.3084012950824275
Energy: 1.3758975401765288
Energy: 1.238511129112497
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Energy: 1.1450816236816035
Energy: 1.2924961888382975
Energy: 1.3084012950858452
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Energy: 1.238511129110788
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Energy: 1.4492400723472518
Energy: 1.154450495659815
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Energy: 1.210743397520195
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Energy: 1.2028156028583654
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Energy: 1.1544504956622075
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Energy: 1.2107433975181445
Energy: 1.3569655866872492
Energy: 1.4301950324909474
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Energy: 1.251737921366908
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Energy: 1.1384524074475952
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Energy: 1.2843956561703065
Energy: 1.1965804357795855
Energy: 1.2980122669467793
Energy: 1.1521869307212884
Energy: 1.3266436579903835
Energy: 1.1892026923355714
Energy: 1.3248592836103326
Energy: 1.1965804357833452
Energy: 1.2980122669450704
Energy: 1.1521869307130856
Energy: 1.3266436579862821
Energy: 1.1379152609407441
Energy: 1.2209042304199416
Energy: 1.1803537729372064
Energy: 1.3552887938758442
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Energy: 1.2053110052306082
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Energy: 1.220904230421309
Energy: 1.1803537729402822
Energy: 1.355288793876528
Energy: 1.137556556389861
Energy: 1.2378818987116225
Energy: 1.4187120241135984
Energy: 1.132837974526892
Energy: 1.2193549693415906
Energy: 1.1466186693504066
Energy: 1.1375565563915702
Energy: 1.237881898704787
Energy: 1.41871202411394
Energy: 1.132837974528259
Energy: 1.333948425835369
Energy: 1.2643524377548414
Energy: 1.351772545277351
Energy: 1.311491236843117
Energy: 1.1325837273130643
Energy: 1.1431295895253786
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Energy: 1.3517725452739335
Energy: 1.3114912368393574
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Energy: 1.3583063852998192
Energy: 1.1399318745473936
Energy: 1.230996452204896
Energy: 1.2242449254958427
Energy: 1.1732768201987174
Energy: 1.1641551832876553
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Energy: 1.2309964522045542
Energy: 1.271871870240056
Energy: 1.4037664958087397
Energy: 1.3178699489233556
Energy: 1.351627441462571
Energy: 1.2396939484832714
Energy: 1.4019773913589662
Energy: 1.2718718702390306
Energy: 1.4037664958118157
Energy: 1.3178699489219885
Energy: 1.351627441461546
Energy: 1.1294782256672733
Energy: 1.2988587994172422
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Energy: 1.1849644853994328
Energy: 1.1294782256648808
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Energy: 1.3290504069677525
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Energy: 1.3115275164454288
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Energy: 1.2147419802248964
Energy: 1.1539746213779387
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Energy: 1.1391735767109552
Energy: 1.2147419802201118
Energy: 1.2872833972329008
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Energy: 1.1599282872528411
Energy: 1.2649542363013973
Energy: 1.150056317213998
Energy: 1.2876591785700215
Energy: 1.1525570444550053
Energy: 1.2618695070509967
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Energy: 1.2649542363037898
Energy: 1.1500563172177574
Energy: 1.1406723293534338
Energy: 1.2603165253792556
Energy: 1.1468737963481517
Energy: 1.1523396586261694
Energy: 1.3058564032014797
Energy: 1.3302304818854678
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Energy: 1.26031652538199
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Energy: 1.1523396586299288
Energy: 1.3073630740595357
Energy: 1.1480410065707003
Energy: 1.1952533755756167
Energy: 1.3742610162092017
Energy: 1.3114840072516
Energy: 1.2899364526364938
Energy: 1.307363074057485
Energy: 1.1480410065696751
Energy: 1.195253375573908
Energy: 1.3742610162133029
Energy: 1.1529974438521213
Energy: 1.2920040341862418
Energy: 1.1733585635836155
Energy: 1.1650082875322627
Energy: 1.3526997600768955
Energy: 1.255465134263246
Energy: 1.152997443852463
Energy: 1.2920040341865835
Energy: 1.1733585635839572
Energy: 1.1650082875285033
Energy: 1.3653808066568645
Energy: 1.236198585779037
Energy: 1.3449133113344023
Energy: 1.1646401468706449
Energy: 1.1780705281005848
Energy: 1.3133965890423414
Energy: 1.365380806657548
Energy: 1.2361985857786952
Energy: 1.35421500008239
Energy: 1.1646401468713286
Energy: 1.42048669337015
Energy: 1.2369020840277798
Energy: 1.146558605463527
Energy: 1.1315933453492628
Energy: 1.2539245296568609
Energy: 1.218114194662887
Energy: 1.420486693366049
Energy: 1.2369020840229952
Energy: 1.1465586054611347
Energy: 1.1315933453485794
Energy: 1.196134503570624
Energy: 1.2681278821257993
Energy: 1.1851611881993553
Energy: 1.3251108193082888
Energy: 1.1966358650998814
Energy: 1.2429263683639822
Energy: 1.196134503570624
Energy: 1.268127882129559
Energy: 1.1851611882099502
Energy: 1.3251108193130738
Energy: 1.1957718096652532
Energy: 1.3348073213970313
Energy: 1.1974919506344628
Energy: 1.2058742573146037
Energy: 1.1345230738365373
Energy: 1.2233706775003839
Energy: 1.1957718096666206
Energy: 1.3348073213997655
Energy: 1.1974919506368553
Energy: 1.2058742573142618
Energy: 1.4706418473496699
Energy: 1.1450217050809426
Energy: 1.2213123919552622
Energy: 1.1297028184850264
Energy: 1.1511906690072347
Energy: 1.2360398609720447
Energy: 1.4706418473564742
Energy: 1.1450217050778977
Energy: 1.2213123919579965
Energy: 1.1297028184908364
Energy: 1.281936315660031
Energy: 1.3148216624239875
Energy: 1.1591416864492998
Energy: 1.164117412745937
Energy: 1.3390490323630835
Energy: 1.2373053968272298
Energy: 1.2819363156576387
Energy: 1.314821662420228
Energy: 1.1591416864527175
Energy: 1.164117412742861
Energy: 1.1326372686472892
Energy: 1.2021337923046775
Energy: 1.350726068256238
Energy: 1.2121032733594626
Energy: 1.1723382328449192
Energy: 1.289778248446771
Energy: 1.132637268652416
Energy: 1.2021337923036524
Energy: 1.3507260682565798
Energy: 1.2121032733645896
Energy: 1.3087476263734672
Energy: 1.3267253581114904
Energy: 1.2379492374886134
Energy: 1.390682562215091
Energy: 1.195668584601297
Energy: 1.4327284841856993
Energy: 1.3087476263755178
Energy: 1.3267253581067056
Energy: 1.2379492374875882
Energy: 1.390682562216458
Energy: 1.2159624061804764
Energy: 1.3561275509244843
Energy: 1.3365280168484475
Energy: 1.1520293781855246
Energy: 1.1510504954809209
Energy: 1.307252899245428
Energy: 1.2159624061791092
Energy: 1.356127550926535
Energy: 1.3365280168463969
Energy: 1.1520293781868916
Energy: 1.213021786745875
Energy: 1.1524361738000293
Energy: 1.3452803870604335
Energy: 1.1788759302974856
Energy: 1.3529253902689922
Energy: 1.1610872510873298
Energy: 1.2130217867445081
Energy: 1.1524361738044724
Energy: 1.3452803870556487
Energy: 1.1788759302944096
Energy: 1.2147530087577796
Energy: 1.180424727031481
Energy: 1.426626228923844
Energy: 1.1998869694125516
Energy: 1.1925815426696735
Energy: 1.1420219127431732
Energy: 1.2147530087557288
Energy: 1.1804247270372912
Energy: 1.4266262289235025
Energy: 1.1998869694142604
Energy: 1.1957988882187804
Energy: 1.5222400995812164
Energy: 1.1542044701087477
Energy: 1.193427993706756
Energy: 1.1408936550266269
Energy: 1.1703796876838486
Energy: 1.195798888221856
Energy: 1.5222400995825833
Energy: 1.1542044701032794
Energy: 1.1934279937060723
Energy: 1.2784137060590843
Energy: 1.2852631764790043
Energy: 1.4295920265595852
Energy: 1.2788941664120044
Energy: 1.1644900167005263
Energy: 1.281226317014291
Energy: 1.2784137060590843
Energy: 1.2852631764776372
Energy: 1.429592026559927
Energy: 1.2788941664109792
Energy: 1.2130542784271237
Energy: 1.2558779626736996
Energy: 1.2873775545045867
Energy: 1.2958310863951727
Energy: 1.2031757060654213
Energy: 1.1448069807615984
Energy: 1.213054278428149
Energy: 1.2558779626692562
Energy: 1.2873775545069788
Energy: 1.2958310864033753
Energy: 1.4723633474904572
Energy: 1.2416506932611546
Energy: 1.3520637708528878
Energy: 1.3112652873294721
Energy: 1.403627002124651
Energy: 1.1967757241937873
Energy: 1.4723633474887485
Energy: 1.2416506932621798
Energy: 1.3520637708504954
Energy: 1.3112652873294721
Energy: 1.2121797355061372
Energy: 1.2179297008025316
Energy: 1.245319774589779
Energy: 1.1329884391993794
Energy: 1.2836621721990622
Energy: 1.1386537171560756
Energy: 1.2121797355020358
Energy: 1.2179297008045822
Energy: 1.2453197745914881
Energy: 1.1329884392000629
Energy: 1.1689901474612185
Energy: 1.131321319539319
Energy: 1.3179223959981512
Energy: 1.4101769617238378
Energy: 1.2564161961512432
Energy: 1.3609324311499627
Energy: 1.1689901474598514
Energy: 1.1313213195379521
Energy: 1.317922395997468
Energy: 1.4101769617197366
Energy: 1.1316475126462433
Energy: 1.2455227595205254
Energy: 1.1396868553014712
Energy: 1.5219247381085697
Energy: 1.235848364271774
Energy: 1.159074116041727
Energy: 1.131647512649661
Energy: 1.2455227595205254
Energy: 1.1396868553011292
Energy: 1.5219247381102785
Energy: 1.205623252790283
Energy: 1.2011536568568633
Energy: 1.2967343303449517
Energy: 1.1440136105655088
Energy: 1.2264898841612017
Energy: 1.1285673664850389
Energy: 1.2056232527923334
Energy: 1.2011536568613062
Energy: 1.2967343303422174
Energy: 1.1440136105631162

minimum gb energy = 1.1285673664850389 eV
minimum distance =  2.2541294756916 Angstroms
sigma value = 437


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

Energy: 1.2700429039767018
Energy: 1.2268476390758172
Energy: 1.1920703759628792
Energy: 1.7661470416227376
Energy: 1.1922862036732966
Energy: 1.156906392572833
Energy: 1.2700429039767018
Energy: 1.2268476390758172
Energy: 1.1920703759591438
Energy: 1.4793956656055234
Energy: 1.2913675032422742
Energy: 1.2076531282208844
Energy: 1.160757742919308
Energy: 1.1491586745992546
Energy: 1.2911184423613578
Energy: 1.2843860087801242
Energy: 1.2913675032397836
Energy: 1.2076531282196394
Energy: 1.1607577429180629
Energy: 1.1491586745980098
Energy: 1.1417390169133201
Energy: 1.1689025045388537
Energy: 1.4592798561184617
Energy: 1.0950194676332605
Energy: 1.1532753143180086
Energy: 1.2185881967777492
Energy: 1.1417390169070942
Energy: 1.1689025045438342
Energy: 1.4592798561209521
Energy: 1.0950194676369958
Energy: 1.2972245685217731
Energy: 1.1664362401285544
Energy: 1.1374533496311772
Energy: 1.1459754831221174
Energy: 1.1614757681176016
Energy: 1.2784787014870014
Energy: 1.297224568520528
Energy: 1.1664362401285544
Energy: 1.1374533496261967
Energy: 1.1459754831221174
Energy: 1.1496258934055728
Energy: 1.1640607388119706
Energy: 1.1369971325231631
Energy: 1.1423053823420748
Energy: 1.1464136770756952
Energy: 1.206660280372996
Energy: 1.1496258934030823
Energy: 1.1640607388082918
Energy: 1.1369971325194277
Energy: 1.14230538234332
Energy: 1.1499287495170085
Energy: 1.3117136385078827
Energy: 1.1165311471514683
Energy: 1.1473889932267507
Energy: 1.1195369936368964
Energy: 1.361914921033469
Energy: 1.149928749518254
Energy: 1.3117136385078827
Energy: 1.1165311471527135
Energy: 1.1473889932230152
Energy: 1.360147587909747
Energy: 1.1316587595348717
Energy: 1.2429172741435357
Energy: 1.1427472591354286
Energy: 1.1373131413155224
Energy: 1.1691816062550644
Energy: 1.360147587913426
Energy: 1.1316587595386072
Energy: 1.2429172741422905
Energy: 1.1427472591341834
Energy: 1.1409920580874278
Energy: 1.2130343077578372
Energy: 1.137984828734543
Energy: 1.1461290787271252
Energy: 1.3274268672671283
Energy: 1.1458240699277549
Energy: 1.1409920580800137
Energy: 1.2130343077541017
Energy: 1.1379848287370333
Energy: 1.1461290787283702
Energy: 1.301268963439106
Energy: 1.180581288653124
Energy: 1.4890990667052137
Energy: 1.124553664741771
Energy: 1.2214235750004232
Energy: 1.207673956529882
Energy: 1.3012689634403507
Energy: 1.180581288653124
Energy: 1.4890990667039687
Energy: 1.124553664740526
Energy: 1.1946134971080002
Energy: 1.2060455350046448
Energy: 1.1163936793958418
Energy: 1.4698660451204588
Energy: 1.1953988519024457
Energy: 1.3733841042247676
Energy: 1.1946134971067552
Energy: 1.20604553500589
Energy: 1.1163936793921063
Energy: 1.469866045122949
Energy: 1.3675838492086316
Energy: 1.2763654719886406
Energy: 1.160501701942325
Energy: 1.1453386873541769
Energy: 1.2580954684831218
Energy: 1.1582579562218116
Energy: 1.3675838492086316
Energy: 1.2763654719849051
Energy: 1.1605017019435702
Energy: 1.1453386873604026
Energy: 1.2254124222070872
Energy: 1.213331897598838
Energy: 1.4602277710948681
Energy: 1.1197822352791191
Energy: 1.1420547791727236
Energy: 1.2130079517107721
Energy: 1.2254124222033518
Energy: 1.2133318975951026
Energy: 1.4602277710948681
Energy: 1.1197822352803644
Energy: 1.260413231662546
Energy: 1.1301371436049865
Energy: 1.2732202038918452
Energy: 1.145236215284866
Energy: 1.160863592771976
Energy: 1.2770234184053229
Energy: 1.2604132316600558
Energy: 1.1301371436049865
Energy: 1.2732202038930902
Energy: 1.1452362152910918
Energy: 1.1614451369524452
Energy: 1.4954672729610514
Energy: 1.1609321616808077
Energy: 1.2547551924139044
Energy: 1.1166184642028283
Energy: 1.1677383603237308
Energy: 1.161445136954879
Energy: 1.4954672729523357
Energy: 1.160932161682053
Energy: 1.2547551924076787

minimum gb energy = 1.0950194676332605 eV
minimum distance =  2.24004144254202 Angstroms
sigma value = 33