Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
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=2.8599998205900192
cohesive_energy=1.5373099021567544
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: 0.0053901552371796654
Energy: 0.005478198220819885
Energy: 0.005669017465705188
Energy: 1.889380838365825
Energy: 0.005669017465705188
Energy: 0.005478198221042956
Energy: 0.0053901552371796654
Energy: 0.005478198220819885
Energy: 0.005669017465705188
Energy: 1.3762023979174356
Energy: 0.851759040489506
Energy: 0.005830575774283446
Energy: 0.005528874290124097
Energy: 0.83218365832988
Energy: 0.005528874290124097
Energy: 0.005830575774283446
Energy: 0.8517590404892699
Energy: 0.005830575774283446
Energy: 0.005528874290124097
Energy: 0.83218365832988
Energy: 0.0053901552371796654
Energy: 0.005478198220819885
Energy: 0.005669017465941381
Energy: 1.889381466326668
Energy: 0.005669017465705188
Energy: 0.005478198221042956
Energy: 0.0053901552371796654
Energy: 0.005478198220819885
Energy: 0.005669017465705188
Energy: 1.3762023979172124
Energy: 0.851759040489506
Energy: 0.005830575774283446
Energy: 0.005528874290360289
Energy: 0.83218365832988
Energy: 0.005528874290124097
Energy: 0.0058305757740472535
Energy: 0.8517590404892699
Energy: 0.005830575774283446
Energy: 0.005528874290124097
Energy: 0.8321836583307984
Energy: 0.0053901552371796654
Energy: 0.005478198220819885
Energy: 0.005669017465705188
Energy: 1.7302491983549473
Energy: 0.005669017465705188
Energy: 0.005478198221042956
Energy: 0.0053901552371796654
Energy: 0.005478198221042956
Energy: 0.005669017465705188
Energy: 1.3762023979174356
Energy: 0.851759040489506
Energy: 0.005830575774283446
Energy: 0.005528874290124097
Energy: 0.83218365832988
Energy: 0.005528874290124097
Energy: 0.0058305757740472535
Energy: 0.8517590404892699
Energy: 0.005830575774283446
Energy: 0.005528874290124097
Energy: 0.83218365832988
Energy: 0.0053901552371796654
Energy: 0.005478198220819885
Energy: 0.005669017465705188
Energy: 1.3762023979172124
Energy: 0.005669017465705188
Energy: 0.005478198221042956
Energy: 0.0053901552371796654
Energy: 0.005478198221042956
Energy: 0.005669017465941381
Energy: 1.3762023979174356

minimum gb energy = 0.0053901552371796654 eV
minimum distance =  2.42108969428461 Angstroms
sigma value = 3


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

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Energy: 1.3797949907748595
Energy: 1.3718882953562326
Energy: 1.3867808965935018
Energy: 1.363585634294287
Energy: 1.361222706354797
Energy: 1.4156574868608454
Energy: 1.379794990774294
Energy: 1.3718882953567983
Energy: 1.3867808965935018
Energy: 1.4151805377169513
Energy: 1.364292107065717
Energy: 1.3773529507538085
Energy: 1.3889207909960246
Energy: 1.3295082461260155
Energy: 1.3016485668317106
Energy: 1.4151805377169513
Energy: 1.3642921070651512
Energy: 1.3773529507538085
Energy: 1.3889207909960246
Energy: 1.3314995964377723
Energy: 1.3027003422759973
Energy: 1.3359911577942531
Energy: 1.306316053349166
Energy: 1.3924526335989653
Energy: 1.2975513218444872
Energy: 1.3314995964473764
Energy: 1.3060562486935654
Energy: 1.3359911577942531
Energy: 1.306316053349166
Energy: 1.2994956546069407
Energy: 1.318514811477824
Energy: 1.275715037771377
Energy: 1.3222747242341817
Energy: 1.2801141567689265
Energy: 1.3002132970683182
Energy: 1.2994956546069407
Energy: 1.3185148114772582
Energy: 1.275715037771377
Energy: 1.3222747242347472
Energy: 1.3007860048260405
Energy: 1.280467230547704
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Energy: 1.2830107824313852
Energy: 1.265933282632201
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Energy: 1.2830107824313852
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Energy: 1.309509014186492
Energy: 1.3056780075598045
Energy: 1.3058948578499625
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Energy: 1.3144029570485203
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Energy: 1.309509014186492
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Energy: 1.297710610933249
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Energy: 1.374941722820219
Energy: 1.335641236807848
Energy: 1.2942906428792036
Energy: 1.327504705692172
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Energy: 1.377951456261215
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Energy: 1.3356412368072823
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Energy: 1.3774019107803952
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Energy: 1.3863599156032438
Energy: 1.3858797974354433
Energy: 1.3346390624005586
Energy: 1.3896457874608634
Energy: 1.3753107930066364
Energy: 1.4421243131935955
Energy: 1.4323764844175155
Energy: 1.3858797974354433
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Energy: 1.326376037448415
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Energy: 1.287635231448219
Energy: 1.3008203874998188
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Energy: 1.2643265834266084
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Energy: 1.287635231448219
Energy: 1.300820387499253
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Energy: 1.2916223776848859
Energy: 1.2633115214171309
Energy: 1.3080375974183571
Energy: 1.311395031613674
Energy: 1.2863938124373533
Energy: 1.3222820660166605
Energy: 1.2916223776848859
Energy: 1.2633115214165649
Energy: 1.3080375974189227
Energy: 1.3028272325023502
Energy: 1.3261190546076114
Energy: 1.3296787858107995
Energy: 1.2963773968501335
Energy: 1.4136261681870474
Energy: 1.2904610702520174
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Energy: 1.3261190546087427
Energy: 1.3296787858107995
Energy: 1.2963773968501335
Energy: 1.396036741357912
Energy: 1.338895259090298
Energy: 1.3935601003699667
Energy: 1.337305869825932
Energy: 1.4324241646367255
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Energy: 1.3935601003688352
Energy: 1.3312143552796525
Energy: 1.450780615374125
Energy: 1.4057237026523621
Energy: 1.3761644459111517
Energy: 1.3828368400958209
Energy: 1.413468418775574
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Energy: 1.4507806153746905
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Energy: 1.3761644459111517
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Energy: 1.3418235387188933
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Energy: 1.3636263883295552
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Energy: 1.3418235387200246
Energy: 1.3310421322163146
Energy: 1.3636263883295552
Energy: 1.3379895971755447
Energy: 1.3030267053451208
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Energy: 1.2839342973459533
Energy: 1.2740271880651057
Energy: 1.2993245352162557
Energy: 1.3044734200574195
Energy: 1.3030267053451208
Energy: 1.3381617176248166
Energy: 1.2839342973453876
Energy: 1.2740271880651057
Energy: 1.2623061106326912
Energy: 1.3056193154225342
Energy: 1.2726496655120474
Energy: 1.3156740721729607
Energy: 1.3143875318828302
Energy: 1.315999331392973
Energy: 1.2623061106326912
Energy: 1.3056193154230995
Energy: 1.2726496655120474
Energy: 1.2789807147503622
Energy: 1.2740952489229442
Energy: 1.296229746819735
Energy: 1.2839402824993167
Energy: 1.3006727738452766
Energy: 1.2437246041788665
Energy: 1.2828187968880183
Energy: 1.2740952489223785
Energy: 1.296229746819735
Energy: 1.2839402824993167
Energy: 1.3006727738447108
Energy: 1.2992168539098647
Energy: 1.2841148668046254
Energy: 1.270633961643398
Energy: 1.2834044989657185
Energy: 1.3060376687167337
Energy: 1.255125079524665
Energy: 1.2992168539104305
Energy: 1.2841148668046254
Energy: 1.270633961643398
Energy: 1.283404498966284
Energy: 1.312674669432095
Energy: 1.2962663678127353
Energy: 1.3145592427941524
Energy: 1.3404252751513004
Energy: 1.3297832317608478
Energy: 1.335369893085612
Energy: 1.312674669432095
Energy: 1.2962663678121698
Energy: 1.3096525237671688
Energy: 1.3404252751518662
Energy: 1.3433019745291548
Energy: 1.374017874595937
Energy: 1.3833054232382773
Energy: 1.396589346134135
Energy: 1.3084063694799513
Energy: 1.3263922018135053
Energy: 1.3433019745291548
Energy: 1.3740178745965028
Energy: 1.3833054232377118
Energy: 1.3965893461347005
Energy: 1.3867166247685412
Energy: 1.3638641621963217
Energy: 1.3300532274423207
Energy: 1.4079554260953975
Energy: 1.3797949907748595
Energy: 1.3718882953567983
Energy: 1.3867166247679756
Energy: 1.363864162195756
Energy: 1.3300532274417551
Energy: 1.4079554260959632
Energy: 1.3889207909960246
Energy: 1.32950824612545
Energy: 1.3016485668317106
Energy: 1.4151805377163855
Energy: 1.364292107065717
Energy: 1.3773529507543743
Energy: 1.3889207909960246
Energy: 1.3295082461260155
Energy: 1.3016485668311448
Energy: 1.4151805377169513
Energy: 1.312674669432095
Energy: 1.392452633599531
Energy: 1.307726907571603
Energy: 1.3314995963704805
Energy: 1.3027003422759973
Energy: 1.3359911577942531
Energy: 1.312674669432095
Energy: 1.3924526335989653
Energy: 1.2975513218444872
Energy: 1.331499596552557
Energy: 1.3222747242347472
Energy: 1.2801141567683607
Energy: 1.2904000356136252
Energy: 1.2994956546069407
Energy: 1.318514811477824
Energy: 1.275715037771377
Energy: 1.322274724235313
Energy: 1.2801141567694918
Energy: 1.2904000356136252
Energy: 1.2994956546069407

minimum gb energy = 1.2401861677499824 eV
minimum distance =  2.27185573326952 Angstroms
sigma value = 75


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

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Energy: 1.6343144021722966
Energy: 1.5088172164850355
Energy: 1.4347438761701015
Energy: 1.4283263739073437
Energy: 1.4569433133113325
Energy: 1.531198732145946
Energy: 1.6343144021720208
Energy: 1.5088172164847595
Energy: 1.4347438761701015
Energy: 1.356351898030138
Energy: 1.2341676585842793
Energy: 1.3913670289016937
Energy: 1.4778859665926536
Energy: 1.271126474482348
Energy: 1.436779491463716
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Energy: 1.349042944833716
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Energy: 1.3250509031928912
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Energy: 1.2896743765929086
Energy: 1.3683902767449503
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Energy: 1.3250509031931672
Energy: 1.338605281330171
Energy: 1.3548081700268462
Energy: 1.4037860433908396
Energy: 1.3722088981290554
Energy: 1.4069940743955411
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Energy: 1.422010777639767
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Energy: 1.304787466765185
Energy: 1.319023155020503
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Energy: 1.4379551008108404
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Energy: 1.4325489027254488
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minimum gb energy = 1.2160194111223952 eV
minimum distance =  2.25068074054565 Angstroms
sigma value = 105


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

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Energy: 1.3671896363753668
Energy: 1.3509080200753094
Energy: 1.4958804487851902
Energy: 1.3924774412370113
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Energy: 1.2789112044683282
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Energy: 1.4856499808982042
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Energy: 1.331073021126325
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Energy: 1.3548077553262095
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Energy: 1.4437645955169962
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Energy: 1.3571630126595744
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Energy: 1.3044846792854694
Energy: 1.3571630126598857
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Energy: 1.306447333452414
Energy: 1.2832227227985198
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Energy: 1.2787248137132363
Energy: 1.4787964839493832
Energy: 1.4787938920528432
Energy: 1.3064473334527253
Energy: 1.2832227227982083
Energy: 1.5125896404653068
Energy: 1.2787248137132363
Energy: 1.5462954293556792
Energy: 1.363770814602565
Energy: 1.3015505043101367
Energy: 1.3771638793696726
Energy: 1.3737713570755734
Energy: 1.3359809692785038
Energy: 1.5462954293556792
Energy: 1.3637708146022538
Energy: 1.3015505043104485
Energy: 1.377163879369361
Energy: 1.3526466349460717
Energy: 1.523307923319425
Energy: 1.6177623124384586
Energy: 1.3896742480421547
Energy: 1.5404754402268432
Energy: 1.4505119192142408
Energy: 1.3526466349463833
Energy: 1.523307923319114
Energy: 1.6177623124384586
Energy: 1.3896742480415318
Energy: 1.4524403479668715
Energy: 1.3356320266681905
Energy: 1.392868277148345
Energy: 1.3947367551184935
Energy: 1.539174451054268
Energy: 1.3558394867297285
Energy: 1.4524403479668715
Energy: 1.3356320266681905
Energy: 1.392868277148345
Energy: 1.3947367551163137
Energy: 1.2971118406173965
Energy: 1.3355270766608947
Energy: 1.2767343408882466
Energy: 1.2832567634686636
Energy: 1.4981412901536442
Energy: 1.2917325683645087
Energy: 1.2971118406173965
Energy: 1.3355270766612062
Energy: 1.2767343408885576
Energy: 1.283256763468352
Energy: 1.3066878918475606
Energy: 1.3415985273812459
Energy: 1.365654608718309
Energy: 1.3475402222601878
Energy: 1.418830805083828
Energy: 1.3033868103707547
Energy: 1.306687891847872
Energy: 1.3415985273809345
Energy: 1.3656546087189319
Energy: 1.3475402222601878
Energy: 1.4942097880904823
Energy: 1.4054554648962418
Energy: 1.3707921285693112
Energy: 1.3623920759932064
Energy: 1.359022278922339
Energy: 1.5077588889466338
Energy: 1.4942097880901712
Energy: 1.4054554648959305
Energy: 1.370792128569
Energy: 1.3623920759932064

minimum gb energy = 1.2340767368751062 eV
minimum distance =  2.26953386895465 Angstroms
sigma value = 165


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

Energy: 1.284086380654986
Energy: 1.555631332381553
Energy: 1.2964759584081231
Energy: 1.4494487949264947
Energy: 1.2961431487170985
Energy: 1.5554680333938318
Energy: 1.28408638065467
Energy: 1.5556313323814435
Energy: 1.2964759584121808
Energy: 1.4494487949263852
Energy: 1.2532202341422505
Energy: 1.535195023760104
Energy: 1.275970395836021
Energy: 1.3594430145581655
Energy: 1.1854436221616926
Energy: 1.2435170933488309
Energy: 1.2532202341419227
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Energy: 1.2759703958354864
Energy: 1.359443014558372
Energy: 1.2184218319167242
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Energy: 1.2918807492425068
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Energy: 1.2915005349635635
Energy: 1.2918617127452685
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Energy: 1.253141591471723
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Energy: 1.2919764800110385
Energy: 1.2819116039700353
Energy: 1.5375966158787233
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Energy: 1.533536972113642
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Energy: 1.55109689458131
Energy: 1.2819116039702418
Energy: 1.5375966158785168
Energy: 1.2531502706674043
Energy: 1.533536972113751
Energy: 1.328729878067946
Energy: 1.5678502474127465
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Energy: 1.3200464828899476
Energy: 1.396363464685524
Energy: 1.3287298780678365
Energy: 1.5678502474126492
Energy: 1.275532788080819
Energy: 1.380743158845423
Energy: 1.2178517345071482
Energy: 1.4208971935126349
Energy: 1.2503797446904212
Energy: 1.2350184764122136
Energy: 1.1855553118039264
Energy: 1.253368912956941
Energy: 1.217851734507367
Energy: 1.4208971935126349
Energy: 1.2503797446903118
Energy: 1.2350184764121162
Energy: 1.2175662783328807
Energy: 1.291880749242616
Energy: 1.4211563322648755
Energy: 1.2185015240954482
Energy: 1.3195746423294872
Energy: 1.3088468438935228
Energy: 1.2175662783328807
Energy: 1.2918807492425068
Energy: 1.421156332265094
Energy: 1.2185015240954482
Energy: 1.359440150702076
Energy: 1.2762962821571417
Energy: 1.4120379177517124
Energy: 1.2532673195648782
Energy: 1.252511507350606
Energy: 1.1854967639516991
Energy: 1.359440150701748
Energy: 1.2762962821571417
Energy: 1.4120379177515059
Energy: 1.2532673195645623
Energy: 1.428101859594832
Energy: 1.2961431487018158
Energy: 1.555468033393516
Energy: 1.284086380654986
Energy: 1.5556313323814435
Energy: 1.2964759584224341
Energy: 1.4494487949268104
Energy: 1.296143148702569
Energy: 1.5554680333938318
Energy: 1.28408638065467

minimum gb energy = 1.1854436221616926 eV
minimum distance =  2.29788144309449 Angstroms
sigma value = 41


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

Energy: 1.6768213507828373
Energy: 1.543140647201448
Energy: 1.1520927948978545
Energy: 1.108055237822585
Energy: 1.151904193731772
Energy: 1.3930650845093189
Energy: 1.6768213507828373
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Energy: 1.2792071734703498
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Energy: 1.5490417799914278
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Energy: 1.58742500454966
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Energy: 1.587425004549245
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Energy: 1.17421196607892
Energy: 1.0659269877701731
Energy: 1.3190715329680802
Energy: 1.1518696318333221
Energy: 1.3577877558559794
Energy: 1.1828675407789815
Energy: 1.1769389779978545
Energy: 1.3542125128202565
Energy: 1.189026034329529
Energy: 1.1797651270851162
Energy: 1.3174435593344551
Energy: 1.182867540778567
Energy: 1.1769389779974395
Energy: 1.3542125128202565
Energy: 1.189026034329529
Energy: 1.4445042073446932
Energy: 1.2923476172844925
Energy: 1.2267987785406096
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Energy: 1.368173515702835
Energy: 1.1516526140002805
Energy: 1.4445042073446932
Energy: 1.2923476161588365
Energy: 1.2267987785401948
Energy: 1.1887437921344324
Energy: 1.279835089261413
Energy: 1.572787230139555
Energy: 1.5431892945365926
Energy: 1.1523133593114057
Energy: 1.5876993557599037
Energy: 1.151888989187642
Energy: 1.2798350892601684
Energy: 1.572787230139555
Energy: 1.5431892945365926
Energy: 1.1523133593114057
Energy: 1.1744415124613943
Energy: 1.3741144488965207
Energy: 1.3191518042024992
Energy: 1.1518233633188764
Energy: 1.3577788702768065
Energy: 1.1872515692383314
Energy: 1.1744415124613943
Energy: 1.3741144488907135
Energy: 1.3191518042049877
Energy: 1.151823363319291
Energy: 1.3533140323169113
Energy: 1.1774811783080081
Energy: 1.1770313139502249
Energy: 1.3533140323173263
Energy: 1.189163946472736
Energy: 1.188654370410836
Energy: 1.3533140323173263
Energy: 1.1774811783080081
Energy: 1.1770313139502249
Energy: 1.3533140323173263
Energy: 1.1519369947044447
Energy: 1.2377202777952723
Energy: 1.4102710659998265
Energy: 1.139510244991143
Energy: 1.1871600611834305
Energy: 1.396419535471954
Energy: 1.1519369947044447
Energy: 1.2377202779059826
Energy: 1.4102710658795954
Energy: 1.1395102449907282
Energy: 1.1518773906486215
Energy: 1.4378959879283053
Energy: 1.5729867375894704
Energy: 1.3761757519935667
Energy: 1.1527482422804438
Energy: 1.3072561513706114
Energy: 1.1518773906490363
Energy: 1.4378959879283053
Energy: 1.5729867375894704
Energy: 1.3761757519935667
Energy: 1.1887012737774851
Energy: 1.2267987785401948
Energy: 1.4310239055248193
Energy: 1.2790670486535136
Energy: 1.1516238031580268
Energy: 1.3677279707641763
Energy: 1.1887012737774851
Energy: 1.2267987785401948
Energy: 1.4310239055248193
Energy: 1.2790670486568319
Energy: 1.1890703536582905
Energy: 1.3542125128202565
Energy: 1.1772224983457187
Energy: 1.1769920790917485
Energy: 1.3174435593344551
Energy: 1.1868778064747971
Energy: 1.1890703536582905
Energy: 1.3542125128202565
Energy: 1.1772224983461335
Energy: 1.1769920790917485
Energy: 1.3789209196486514
Energy: 1.1523145450388432
Energy: 1.2375034725535388
Energy: 1.1198234211488
Energy: 1.1514892826653615
Energy: 1.1879708381177125
Energy: 1.3789209196486514
Energy: 1.1523145450388432
Energy: 1.2375034741265427
Energy: 1.1198234211488
Energy: 1.4693273948477978
Energy: 1.1519263456352065
Energy: 1.5511997994729194
Energy: 1.3435183522289555
Energy: 1.447090400933215
Energy: 1.3383707684540285
Energy: 1.4693273948477978
Energy: 1.1519263456347917
Energy: 1.5511997994729194
Energy: 1.3435183720432327
Energy: 1.3732143823090242
Energy: 1.1890736313859065
Energy: 1.331312625266928
Energy: 1.4104706461999377
Energy: 1.2789397958513282
Energy: 1.1516560498909587
Energy: 1.3732143823086091
Energy: 1.1890736313859065
Energy: 1.3313126252665133
Energy: 1.4104706461928862

minimum gb energy = 1.0659269877697584 eV
minimum distance =  2.28472280500105 Angstroms
sigma value = 185


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

Energy: 1.5516249721181932
Energy: 1.2096651901596138
Energy: 1.3846849872975346
Energy: 1.7053677079254335
Energy: 1.3568677249536107
Energy: 1.2078532851748802
Energy: 1.5516249721181932
Energy: 1.2096651901778206
Energy: 1.3846849872975346
Energy: 1.7053677079249412
Energy: 1.2958323493714365
Energy: 1.1356390005332306
Energy: 1.1397562639447218
Energy: 1.316656344730853
Energy: 1.1659242150572477
Energy: 1.2213099347421281
Energy: 1.2958323495333604
Energy: 1.1356390005337231
Energy: 1.1397562639447218
Energy: 1.316656344730853
Energy: 1.1103752555378403
Energy: 1.1658903577747308
Energy: 1.4859155308073264
Energy: 1.4923637921296216
Energy: 1.1661554535933447
Energy: 1.1386389278323557
Energy: 1.1103752555378403
Energy: 1.1658903577742386
Energy: 1.4859155308073264
Energy: 1.492363792129129
Energy: 1.3939360770024536
Energy: 1.1665141409594308
Energy: 1.1756916094675023
Energy: 1.1399576735073285
Energy: 1.1756582707458358
Energy: 1.4875795808522767
Energy: 1.3939360770024536
Energy: 1.1665141409599233
Energy: 1.1756916094675023
Energy: 1.1399576735073285
Energy: 1.6014942582259823
Energy: 1.140149789855949
Energy: 1.1155371343889375
Energy: 1.128749740563419
Energy: 1.529116375468519
Energy: 1.489871432932293
Energy: 1.6014942582259823
Energy: 1.140149789855949
Energy: 1.1155371343889375
Energy: 1.1287497405639115
Energy: 1.1751548155553788
Energy: 1.3751629221503345
Energy: 1.170860080689291
Energy: 1.1658347322565543
Energy: 1.1095840079782826
Energy: 1.21572716241603
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Energy: 1.375162922149842
Energy: 1.2593264669115187
Energy: 1.1658347322565543
Energy: 1.16583994122322
Energy: 1.1919431634663733
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Energy: 1.1660753761593672
Energy: 1.1840701386966574
Energy: 1.1097660102386278
Energy: 1.16583994122322
Energy: 1.1919431634668545
Energy: 1.3824053147834394
Energy: 1.1660753761593672
Energy: 1.1019313233350814
Energy: 1.1156544893202986
Energy: 1.1397348484373728
Energy: 1.3571381842754904
Energy: 1.4892948526219223
Energy: 1.5257671919185665
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Energy: 1.1156544893202986
Energy: 1.1397348484373728
Energy: 1.3571381842754904
Energy: 1.1400113629929436
Energy: 1.175572211627739
Energy: 1.1661032415494879
Energy: 1.5428758334910353
Energy: 1.4284720713384602
Energy: 1.1668429097374868
Energy: 1.1400113629929436
Energy: 1.175572211627739
Energy: 1.1661032415494879
Energy: 1.542875833490543
Energy: 1.6256816373632497
Energy: 1.55989926052978
Energy: 1.165900051465394
Energy: 1.1103495219633788
Energy: 1.1390495388228754
Energy: 1.1662080916247284
Energy: 1.6256816373632497
Energy: 1.55989926052978
Energy: 1.165900051465394
Energy: 1.1103495219643635
Energy: 1.3167125951079324
Energy: 1.1398490699162078
Energy: 1.1157498339585217
Energy: 1.471007909972606
Energy: 1.18048356356314
Energy: 1.1658530244266512
Energy: 1.3167125951079324
Energy: 1.1398490699162078
Energy: 1.1157498339585217
Energy: 1.471007909972606
Energy: 1.6642522071985506
Energy: 1.3762937927327459
Energy: 1.209809291301443
Energy: 1.4888244327946643
Energy: 1.352586736503942
Energy: 1.3846849872975346
Energy: 1.664252207198058
Energy: 1.3762937927322536
Energy: 1.209809291301443
Energy: 1.4888244327946643
Energy: 1.316656344730853
Energy: 1.1659242150567555
Energy: 1.18048356356314
Energy: 1.4298657125763872
Energy: 1.1356390005332306
Energy: 1.1397562639447218
Energy: 1.316656344730853
Energy: 1.1659242150567555
Energy: 1.18048356356314
Energy: 1.4298657125773722
Energy: 1.58242863243924
Energy: 1.166155453593837
Energy: 1.1401905789672904
Energy: 1.1103752555373478
Energy: 1.1658993641874784
Energy: 1.5598992605302724
Energy: 1.5824286324387478
Energy: 1.166155453593837
Energy: 1.1401905789687676
Energy: 1.1103752555378403
Energy: 1.1399714098188467
Energy: 1.2151291544889913
Energy: 1.4730516789148875
Energy: 1.4706631991083365
Energy: 1.1664796704112217
Energy: 1.1757110663277826
Energy: 1.1399714098188467
Energy: 1.21512915448851
Energy: 1.4730516789148875
Energy: 1.4706631991088288
Energy: 1.1287497405639115
Energy: 1.5011937941705449
Energy: 1.4887904063639643
Energy: 1.6014942582259823
Energy: 1.140149789855949
Energy: 1.1155371343889375
Energy: 1.1287497405639115
Energy: 1.5011937941700526
Energy: 1.488790406363472
Energy: 1.6014942582264746
Energy: 1.165834732256062
Energy: 1.109663738099632
Energy: 1.2136831258390062
Energy: 1.166166627962663
Energy: 1.3751629221503345
Energy: 1.1919431634668545
Energy: 1.165834732256062
Energy: 1.1096637380991394
Energy: 1.2136831258385137
Energy: 1.1751548155553788
Energy: 1.1660753761598595
Energy: 1.1953353095465717
Energy: 1.1097660102381355
Energy: 1.1658376562411132
Energy: 1.259326466912011
Energy: 1.36505272325204
Energy: 1.1660753761598595
Energy: 1.1953353095455872
Energy: 1.1097660102381355
Energy: 1.1658376562411132
Energy: 1.3569783182029642
Energy: 1.4899193932131332
Energy: 1.4696880155941205
Energy: 1.1019313233350814
Energy: 1.1295049595316993
Energy: 1.1398311676267008
Energy: 1.3569783182029642
Energy: 1.4899193932131332
Energy: 1.4696880155946128
Energy: 1.1019313233350814
Energy: 1.5073114814697295
Energy: 1.4297358662252269
Energy: 1.16684290975914
Energy: 1.1400113629929436
Energy: 1.1755722116282312
Energy: 1.1661032415494879
Energy: 1.507311481470222
Energy: 1.4297358662247346
Energy: 1.1668429097458572
Energy: 1.140011362992451
Energy: 1.1104780672733547
Energy: 1.1390495388228754
Energy: 1.1662280197350214
Energy: 1.6256816373632497
Energy: 1.485915530807819
Energy: 1.1659000514658866
Energy: 1.1104780672733547
Energy: 1.1390495388228754
Energy: 1.1662280197345292
Energy: 1.6256816373632497
Energy: 1.4206428706816034
Energy: 1.2213099347421281
Energy: 1.1658711531359036
Energy: 1.316823880782137
Energy: 1.139769544889051
Energy: 1.1294317834163388
Energy: 1.4206428706806187
Energy: 1.2213099347421281
Energy: 1.1658711531363959
Energy: 1.3168238807826294
Energy: 1.5516249721186854
Energy: 1.209665190166507
Energy: 1.3846849872975346
Energy: 1.7053677079254335
Energy: 1.3568677249526373
Energy: 1.08049241869949
Energy: 1.5516249721181932
Energy: 1.2096651901601063
Energy: 1.3846849872975346
Energy: 1.7053677079254335
Energy: 1.2958323526359057
Energy: 1.1356390005337231
Energy: 1.1397562639447218
Energy: 1.316656344730853
Energy: 1.1659242150567555
Energy: 1.2213099347426206
Energy: 1.2958323515507035
Energy: 1.1356390005332306
Energy: 1.1397562639447218
Energy: 1.316656344730853
Energy: 1.1103752555383326
Energy: 1.1658903577747308
Energy: 1.4859155308073264
Energy: 1.4923637921296216
Energy: 1.1661554535933447
Energy: 1.1386389278323557
Energy: 1.1103752555373478
Energy: 1.1658903577747308
Energy: 1.485915530807819
Energy: 1.4923637921296216
Energy: 1.3939360770024536
Energy: 1.1665141409599233
Energy: 1.1756916094675023
Energy: 1.1399576735073285
Energy: 1.1756582707458358
Energy: 1.4875795808517844
Energy: 1.3939360770024536
Energy: 1.1665141409599233
Energy: 1.1756916094675023
Energy: 1.1399576735073285
Energy: 1.6014942582259823
Energy: 1.1401497898554567
Energy: 1.1155371343889375
Energy: 1.128749740563419
Energy: 1.529116375468519
Energy: 1.4898714329318008
Energy: 1.601494258226967
Energy: 1.1401497898554567
Energy: 1.1155371343889375
Energy: 1.1287497405639115
Energy: 1.1751548155553788
Energy: 1.3751629221503345
Energy: 1.1708600806897833
Energy: 1.165834732256062
Energy: 1.1095840079782826
Energy: 1.215727162414553
Energy: 1.1751548155558713
Energy: 1.3751629221503345
Energy: 1.1708600806897833
Energy: 1.165834732256062
Energy: 1.16583994122322
Energy: 1.1919431634668545
Energy: 1.3824053147834394
Energy: 1.1660753761598595
Energy: 1.1840701386961652
Energy: 1.1097660102386278
Energy: 1.16583994122322
Energy: 1.1919431634663733
Energy: 1.3824053147834394
Energy: 1.1660753761593672
Energy: 1.101931323334589
Energy: 1.1156544893202986
Energy: 1.1397348484373728
Energy: 1.3571381842759829
Energy: 1.48929485262143
Energy: 1.5257671919195515
Energy: 1.1019313233350814
Energy: 1.1156544893202986
Energy: 1.1397348484373728
Energy: 1.3571381842759829
Energy: 1.1400113629929436
Energy: 1.1755722116282312
Energy: 1.1661032415499804
Energy: 1.5428758334910353
Energy: 1.428472071340922
Energy: 1.16684290975914
Energy: 1.1400113629929436
Energy: 1.175572211627739
Energy: 1.1661032415494879
Energy: 1.5428758334910353
Energy: 1.6256816373632497
Energy: 1.55989926052978
Energy: 1.165900051465394
Energy: 1.1103495219638713
Energy: 1.1390495388228754
Energy: 1.1662080916252209
Energy: 1.6256816373632497
Energy: 1.55989926052978
Energy: 1.1659000514649016
Energy: 1.1103495219633788
Energy: 1.3167125951079324
Energy: 1.1398490699162078
Energy: 1.1157498339585217
Energy: 1.471007909972606
Energy: 1.18048356356314
Energy: 1.1658530244266512
Energy: 1.3167125951079324
Energy: 1.1398490699162078
Energy: 1.1157498339585217
Energy: 1.471007909972606

minimum gb energy = 1.08049241869949 eV
minimum distance =  2.27144445196867 Angstroms
sigma value = 33


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

Energy: 1.230241238542721
Energy: 1.4966381788648875
Energy: 1.2615703378581367
Energy: 1.6688490758761745
Energy: 1.2622504655662168
Energy: 1.494744276174276
Energy: 1.230241238542451
Energy: 1.4966381788648875
Energy: 1.2615703378581367
Energy: 1.6287042808450647
Energy: 1.5807214984946945
Energy: 1.361208899568492
Energy: 1.2618798178025439
Energy: 1.2534037713450261
Energy: 1.188168298502225
Energy: 1.2571758730709843
Energy: 1.580721498494154
Energy: 1.3612088995682217
Energy: 1.2618798178030843
Energy: 1.2534037713450261
Energy: 1.548437457458342
Energy: 1.1454782276706958
Energy: 1.4617327679923504
Energy: 1.6298375178720885
Energy: 1.1883671186772482
Energy: 1.2534315199752604
Energy: 1.5484374574586122
Energy: 1.1454782276704258
Energy: 1.4617327679926206
Energy: 1.6298375178723585
Energy: 1.3078315972258765
Energy: 1.1454993165610905
Energy: 1.2239475038711694
Energy: 1.2344005218544607
Energy: 1.3307532164804998
Energy: 1.5591939913036874
Energy: 1.3078315972258765
Energy: 1.145499316561631
Energy: 1.2239475038708991
Energy: 1.2344005218544607
Energy: 1.2239516278263984
Energy: 1.1455033943470474
Energy: 1.3084035295711363
Energy: 1.559156626324398
Energy: 1.3306341324402398
Energy: 1.2345577463834427
Energy: 1.223951627825858
Energy: 1.1455033943470474
Energy: 1.308403529571677
Energy: 1.5591566263246686
Energy: 1.587912363728716
Energy: 1.1454935609134638
Energy: 1.5504343047321008
Energy: 1.2546853636939816
Energy: 1.1885407641308139
Energy: 1.629794533439709
Energy: 1.5879123637284458
Energy: 1.1454935609134638
Energy: 1.5504343047321008
Energy: 1.254685363694252
Energy: 1.261841915131883
Energy: 1.3606876806845736
Energy: 1.5807562240592465
Energy: 1.2572341649181018
Energy: 1.1882229606712233
Energy: 1.2536239260450488
Energy: 1.261841915131883
Energy: 1.3606876806845736
Energy: 1.5807562240592465
Energy: 1.257234164918372
Energy: 1.258293475575109
Energy: 1.496623511182203
Energy: 1.2302301996106129
Energy: 1.4662753999224991
Energy: 1.2612914689187935
Energy: 1.3609008987834144
Energy: 1.2582934755753794
Energy: 1.4966235111816626
Energy: 1.2302301996106129
Energy: 1.4662753999224991
Energy: 1.1881769537234785
Energy: 1.2529312932462993
Energy: 1.5807850248808506
Energy: 1.3607526457645387
Energy: 1.2616872094583647
Energy: 1.253454437523955
Energy: 1.1881769537234785
Energy: 1.2529312932471102
Energy: 1.5807850248805801
Energy: 1.360752645764809
Energy: 1.1884580162694867
Energy: 1.253399824967396
Energy: 1.5503525164561385
Energy: 1.1454077613987952
Energy: 1.4620545965305711
Energy: 1.6309265553174634
Energy: 1.1884580162697573
Energy: 1.2533998249676663
Energy: 1.5503525164558678
Energy: 1.1454077613982545
Energy: 1.3543548689032703
Energy: 1.236461607476877
Energy: 1.515933885972705
Energy: 1.1453047560316756
Energy: 1.2240433518127574
Energy: 1.234441344049851
Energy: 1.3543548689008376
Energy: 1.2364616074766066
Energy: 1.5159338859732459
Energy: 1.1453047560322165
Energy: 1.3308602316089815
Energy: 1.2349877358707007
Energy: 1.2242446698579164
Energy: 1.1454014682140636
Energy: 1.308414137891912
Energy: 1.5591778384709871
Energy: 1.330860231608711
Energy: 1.2349877358704302
Energy: 1.2242446698568352
Energy: 1.1454014682137934
Energy: 1.1884844763138573
Energy: 1.496439470090633
Energy: 1.58793120836739
Energy: 1.1456834592486396
Energy: 1.5528942125737812
Energy: 1.2559297131118765
Energy: 1.1884844763141273
Energy: 1.4964394700909032
Energy: 1.58793120836739
Energy: 1.1456834592486396
Energy: 1.1880890306333531
Energy: 1.2528978209886992
Energy: 1.2616822961683871
Energy: 1.3606679338511734
Energy: 1.5807545904750506
Energy: 1.2573843668384488
Energy: 1.1880890306333531
Energy: 1.2528978209889696
Energy: 1.2616822961683871
Energy: 1.3606679338511734
Energy: 1.2613161151949612
Energy: 1.360944238432301
Energy: 1.2582935098970278
Energy: 1.4965370553740631
Energy: 1.2289596669464888
Energy: 1.466305493987576
Energy: 1.2613161151917176
Energy: 1.360944238432301
Energy: 1.2582935098970278
Energy: 1.4965370553735227
Energy: 1.2617482422445812
Energy: 1.253075193302429
Energy: 1.1882166641773442
Energy: 1.2528963949390115
Energy: 1.382817994664234
Energy: 1.4314142008696689
Energy: 1.2617482422445812
Energy: 1.253075193302429
Energy: 1.1882166641770737
Energy: 1.2528963949382004
Energy: 1.3743593056690282
Energy: 1.6312180565107446
Energy: 1.1884265546487454
Energy: 1.2529010396380846
Energy: 1.2434003489569196
Energy: 1.145302877832799
Energy: 1.3743593056698393
Energy: 1.631218056511015
Energy: 1.188426554648205
Energy: 1.2529010396375442
Energy: 1.2240399768645598
Energy: 1.235035089022404
Energy: 1.4522299222214552
Energy: 1.234929558517359
Energy: 1.6215114548754634
Energy: 1.1454404244305134
Energy: 1.2240399768645598
Energy: 1.235035089022404
Energy: 1.4522299222206443
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Energy: 1.2580191834829408
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Energy: 1.2580191834824004
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Energy: 1.402127675983231
Energy: 1.6294052377660648
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Energy: 1.2619001773054999
Energy: 1.2529724018371167
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Energy: 1.639610179113883
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Energy: 1.4666165187129245
Energy: 1.2619001773046892
Energy: 1.252972401837387
Energy: 1.690870290510887
Energy: 1.6396101791133426
Energy: 1.2582783591712665
Energy: 1.2577943923896917
Energy: 1.2263728595956545
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Energy: 1.1883076108908273
Energy: 1.351964761580561
Energy: 1.2582783591731583
Energy: 1.2577944005150523
Energy: 1.2263728595959245
Energy: 1.252969955903513
Energy: 1.3509910638195757
Energy: 1.2347041533833885
Energy: 1.2736346170270196
Energy: 1.253058102406838
Energy: 1.255134050707975
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Energy: 1.350991062251731
Energy: 1.2347041533833885
Energy: 1.273634617026749
Energy: 1.2530581024071084
Energy: 1.2239204921931213
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Energy: 1.5741136503617978
Energy: 1.2239204921931213
Energy: 1.2346012857165185
Energy: 1.4666074384619765
Energy: 1.236641067012663

minimum gb energy = 1.128693665700847 eV
minimum distance =  2.27597835923284 Angstroms
sigma value = 219


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

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Energy: 1.2209923999001593
Energy: 1.1627065398803904
Energy: 1.3739452646525887
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Energy: 1.0845943646113578
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Energy: 1.5020167026082338
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Energy: 1.136961034183175
Energy: 1.2144249512359244
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Energy: 1.1620102358024818
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Energy: 1.1901351656073653
Energy: 1.1560236941090778
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Energy: 1.0844445518993089
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Energy: 1.0506367479910137
Energy: 1.1901351656075383
Energy: 1.1560236941090778
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Energy: 1.1626427074659187
Energy: 1.2980195888608186
Energy: 1.1627939308597748
Energy: 1.4175011736227712
Energy: 1.3279479995948067
Energy: 1.2207798974050983
Energy: 1.1626427074659187
Energy: 1.1820811986509112
Energy: 1.162793930859602
Energy: 1.387947888582312

minimum gb energy = 1.0506367479908307 eV
minimum distance =  2.3398996777854 Angstroms
sigma value = 15


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

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Energy: 1.3875214883579665
Energy: 1.2455009962568424
Energy: 1.7009626591704274
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Energy: 1.3306635613003754
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Energy: 1.3306635613000455
Energy: 1.3747148330627816
Energy: 1.2344007655244071
Energy: 1.3548117069765844
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minimum gb energy = 1.2214116925008933 eV
minimum distance =  2.26808390979643 Angstroms
sigma value = 293


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

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Energy: 1.4382610609161695
Energy: 1.3537921952205554
Energy: 1.3060395764315065
Energy: 1.3052772213063593
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Energy: 1.4382610609161695
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Energy: 1.3060395764315065
Energy: 1.4239590751514213
Energy: 1.532596618208405
Energy: 1.3054747718074673
Energy: 1.450425142100887
Energy: 1.3054320181853112
Energy: 1.4678946032312554
Energy: 1.4239590751518254
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Energy: 1.3054747718078712
Energy: 1.4504251421065346
Energy: 1.2148168455331436
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Energy: 1.2148168455331436
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Energy: 1.306055032916019
Energy: 1.4904905947452904
Energy: 1.3893872168288357
Energy: 1.3876523937219225
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Energy: 1.3893872168284316
Energy: 1.3876523937219225
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Energy: 1.4654405280157967
Energy: 1.351395858401542
Energy: 1.374424631464565
Energy: 1.5535043418754286
Energy: 1.2405805131175485
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Energy: 1.4654405280157967
Energy: 1.3513958584019463
Energy: 1.374424631464565
Energy: 1.2907713609383593
Energy: 1.2870457124476473
Energy: 1.266120257577826
Energy: 1.5087382944480676
Energy: 1.4489522197408569
Energy: 1.4379640191632206
Energy: 1.2907713609383593
Energy: 1.2870457124472434
Energy: 1.266120257577826
Energy: 1.5087382944484715
Energy: 1.3004835877046819
Energy: 1.433048134990037
Energy: 1.388868900522258
Energy: 1.500142769487048
Energy: 1.4271940843495121
Energy: 1.4764136528920975
Energy: 1.3004835877046819
Energy: 1.4330481349904411
Energy: 1.388868900522258
Energy: 1.500142769487048
Energy: 1.3249801266987244
Energy: 1.3735069955990538
Energy: 1.3735068588697348
Energy: 1.3250091339114662
Energy: 1.2709653911935745
Energy: 1.2707067128129654
Energy: 1.3249801266987244
Energy: 1.373506995599458
Energy: 1.3735068588693304
Energy: 1.3250091339118706
Energy: 1.500100148975377
Energy: 1.3889468317887779
Energy: 1.4330687768131374
Energy: 1.300409200146486
Energy: 1.4815185828191926
Energy: 1.4271963667100651
Energy: 1.500100148975377
Energy: 1.3889468317887779
Energy: 1.4330687768135413
Energy: 1.300409200146486
Energy: 1.508779247758538
Energy: 1.2661080090194965
Energy: 1.2870721066902957
Energy: 1.2900785045591352
Energy: 1.4377249545010566
Energy: 1.4489339588014767
Energy: 1.5087792477589423
Energy: 1.2661080090199004
Energy: 1.2870721066906905
Energy: 1.290078504558731
Energy: 1.3755141868390237
Energy: 1.3511435967347882
Energy: 1.4654405280157967
Energy: 1.283474611876269
Energy: 1.2405252719825592
Energy: 1.5535043418758328
Energy: 1.3755141868390237
Energy: 1.3511435967351921
Energy: 1.4654405280153926
Energy: 1.283474611876269
Energy: 1.3481872770841163
Energy: 1.5169641391452484
Energy: 1.3896923235986582
Energy: 1.4265509264964342
Energy: 1.375702467350534
Energy: 1.4766740709564374
Energy: 1.3481872770837124
Energy: 1.5169641391452484
Energy: 1.3896923235986582
Energy: 1.4265509264960299

minimum gb energy = 1.21481684553274 eV
minimum distance =  2.26847488909413 Angstroms
sigma value = 293


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

Energy: 0.9732583085863766
Energy: 1.3273828276329427
Energy: 1.0630817921421218
Energy: 1.6274887928359472
Energy: 1.0630644926382005
Energy: 1.3276695882083118
Energy: 0.9732583085862355
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Energy: 1.3954806070773054
Energy: 1.05562715128574
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Energy: 1.06308665639801
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Energy: 1.0630866563977859
Energy: 1.463898760501751
Energy: 1.078929292958229
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Energy: 1.4848585922390611
Energy: 0.9728810853748027
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Energy: 1.0789292929579384
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Energy: 0.9728810853750931
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Energy: 0.9728012067950472
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Energy: 1.0556271512858149
Energy: 1.4499701242047094
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Energy: 1.0634256489196412
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Energy: 1.0634256489196412
Energy: 1.0789292929580796
Energy: 0.9728018239539785
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Energy: 1.0789804639798946
Energy: 1.0555700003011064
Energy: 1.0948450583435545
Energy: 0.972819834397524
Energy: 1.4848450405137386
Energy: 0.9728012067949726
Energy: 1.4647617144754153
Energy: 1.312404239169198
Energy: 1.063049210897739
Energy: 1.6182925213223667
Energy: 1.0555838001825764
Energy: 1.0631495970118203
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Energy: 1.1974452004319052
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Energy: 1.7492706676933676
Energy: 1.0630817921420554
Energy: 1.6662151885402519
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Energy: 1.0630817921420554
Energy: 1.4983146571812274
Energy: 1.0630644926381256
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Energy: 1.0630866563977859
Energy: 1.4917373082872227
Energy: 1.4647979421047859
Energy: 1.0631739213319054
Energy: 1.0556271512856654
Energy: 1.750029617676306
Energy: 1.06308665639801
Energy: 1.4638987605016764
Energy: 1.4647979421050012
Energy: 1.06317392133198
Energy: 1.484858592239136
Energy: 0.9728810853750184
Energy: 1.094858765332942
Energy: 1.0634256489197158
Energy: 1.0789292929581542
Energy: 0.9728018239537628
Energy: 1.484858592239136
Energy: 0.972881085374952
Energy: 1.0948587653331576
Energy: 1.0634256489196412
Energy: 1.078980463980044
Energy: 1.0555700003013306
Energy: 1.0948450583450897
Energy: 0.9728198343974492
Energy: 1.4848450405132987
Energy: 0.9728012067948315
Energy: 1.078980463980044
Energy: 1.0555700003010318
Energy: 1.0948450583428988
Energy: 0.9728198343973081
Energy: 1.0555838001826428
Energy: 1.0631495970116709
Energy: 1.46476171447549
Energy: 1.1974452004511005
Energy: 1.0630492108979632
Energy: 1.4822903114924268
Energy: 1.0555838001823523
Energy: 1.0631495970116709
Energy: 1.4647617144754153
Energy: 1.1974452003448905
Energy: 0.9732583085862355
Energy: 1.32738282762593
Energy: 1.0630817921421218
Energy: 1.4284945630986194
Energy: 1.0630644926381256
Energy: 1.3276695882097724
Energy: 0.973258308586161
Energy: 1.3273828276277557
Energy: 1.0630817921421967
Energy: 1.6662151885397372
Energy: 1.0556271512858149
Energy: 1.8461664532829873
Energy: 1.0630866563978607
Energy: 1.463898760501751
Energy: 1.4647979421050012
Energy: 1.0631739213318305
Energy: 1.05562715128574
Energy: 1.846166453282697
Energy: 1.0630866563980845
Energy: 1.4638987605016764
Energy: 1.078929292958229
Energy: 0.9728018239539039
Energy: 1.484858592239136
Energy: 0.9728810853750184
Energy: 1.0948587653331576
Energy: 1.0634256489196412
Energy: 1.078929292958229
Energy: 0.9728018239537628
Energy: 1.4848585922392104
Energy: 0.972881085374952
Energy: 1.4848450405132239
Energy: 0.972801206795263
Energy: 1.078980463980193
Energy: 1.0555700003011064
Energy: 1.0948450583439195
Energy: 0.9728198343975987
Energy: 1.4848450405137386
Energy: 0.972801206795263
Energy: 1.078980463979969
Energy: 1.0555700003010318
Energy: 1.0630492108978884
Energy: 1.4822903114913315
Energy: 1.0555838001823523
Energy: 1.0631495970117455
Energy: 1.46476171447549
Energy: 1.197445200436287
Energy: 1.063049210897739
Energy: 1.4822903114795054
Energy: 1.0555838001825764
Energy: 1.0631495970117455
Energy: 1.0630644926381256
Energy: 1.3276695882074403
Energy: 0.9732583085860862
Energy: 1.3273828276271
Energy: 1.0630817921421218
Energy: 1.42849456309847
Energy: 1.0630644926380592
Energy: 1.327669588208901
Energy: 0.9732583085864513
Energy: 1.3273828276265938
Energy: 1.464797942105151
Energy: 1.06317392133198
Energy: 1.0556271512858892
Energy: 1.8461664532829873
Energy: 1.0630866563977859
Energy: 1.463898760501751
Energy: 1.4647979421050759
Energy: 1.0631739213317644
Energy: 1.05562715128574
Energy: 1.750029617676231

minimum gb energy = 0.9728012067948315 eV
minimum distance =  2.28022594071791 Angstroms
sigma value = 15


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

Energy: 1.5223208198591713
Energy: 1.4278860552289572
Energy: 1.319165167503742
Energy: 1.6788864475109142
Energy: 1.319116018192917
Energy: 1.4284557279088559
Energy: 1.5223208198595024
Energy: 1.427886055228626
Energy: 1.319165167503742
Energy: 1.6552254060645213
Energy: 1.3894916702112439
Energy: 1.5349499171730885
Energy: 1.3192251059162428
Energy: 1.2760226998475444
Energy: 1.3011095690061545
Energy: 1.326837233369688
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Energy: 1.2760226998475444
Energy: 1.3693735876285327
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Energy: 1.478739879305392
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Energy: 1.31021234965107
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Energy: 1.31021234965107
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Energy: 1.3026700139023466
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Energy: 1.3386930166271886
Energy: 1.3149582461448235
Energy: 1.4294269658235519
Energy: 1.4365727591044477
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Energy: 1.3386930166271886
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Energy: 1.2784336181459661
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Energy: 1.398019861830658
Energy: 1.4501366486777494
Energy: 1.2784336181459661
Energy: 1.3147043252082729
Energy: 1.2561349443881715
Energy: 1.2419872163886063
Energy: 1.451131163440107
Energy: 1.4747442000524393
Energy: 1.3288565186828827
Energy: 1.5368434697044768
Energy: 1.403762683591387
Energy: 1.3749273276851306
Energy: 1.451131163440107
Energy: 1.4747442000524393
Energy: 1.3288565186828827
Energy: 1.5368434697044768
Energy: 1.2785611636057785
Energy: 1.3875993677715108
Energy: 1.2991773873130958
Energy: 1.285659821542196
Energy: 1.4679831054958783
Energy: 1.2584074428635317
Energy: 1.2785611636061096
Energy: 1.3875993677715108
Energy: 1.2991773873127648
Energy: 1.285659821542196
Energy: 1.3992416250709263
Energy: 1.3564837742336027
Energy: 1.6416051846913275
Energy: 1.285670876180179
Energy: 1.4626227105028438
Energy: 1.4456951236462916
Energy: 1.3992416250709263
Energy: 1.3564837742339337
Energy: 1.6416051846913275
Energy: 1.285670876180179
Energy: 1.4636087009927174
Energy: 1.3548760524416332
Energy: 1.3339170676046226
Energy: 1.2173952655289833
Energy: 1.3218311698213328
Energy: 1.2582855015971548
Energy: 1.4636087009923864
Energy: 1.3548760524416332
Energy: 1.3339170676046226
Energy: 1.2173952655293143
Energy: 1.2762360268278192
Energy: 1.4194304316424307
Energy: 1.3136233834761466
Energy: 1.3216727849441174
Energy: 1.3397613830758495
Energy: 1.3233468830860469
Energy: 1.2762360268278192
Energy: 1.4194304316427615
Energy: 1.3136233834758153
Energy: 1.3216727849444487
Energy: 1.2762503500546085
Energy: 1.3801175976564053
Energy: 1.3290949586241183
Energy: 1.3283214075902159
Energy: 1.291301271310138
Energy: 1.3277254849952518
Energy: 1.2762503500542774
Energy: 1.3801175976560744
Energy: 1.3290949586244494
Energy: 1.3283214075898848
Energy: 1.5250599067475865
Energy: 1.277640339898211
Energy: 1.4044308827561314
Energy: 1.215187123423641
Energy: 1.3982201231619382
Energy: 1.3564580869442524
Energy: 1.5250599067482487
Energy: 1.277640339898542
Energy: 1.4044308827561314
Energy: 1.2151871234239722
Energy: 1.4861255251061527
Energy: 1.428158968534091
Energy: 1.4440504693823535
Energy: 1.2904484838007702
Energy: 1.5473269841471191
Energy: 1.3550262162732387
Energy: 1.4861255251064835
Energy: 1.428158968534422
Energy: 1.4440504693823535
Energy: 1.2904484838007702
Energy: 1.273348967750909
Energy: 1.258426057971287
Energy: 1.4677428093760827
Energy: 1.346938691189393
Energy: 1.2991560817292616
Energy: 1.3885736535295758
Energy: 1.2733489677505783
Energy: 1.258426057971287
Energy: 1.467742809376745
Energy: 1.3469386911890622
Energy: 1.4402348726793248
Energy: 1.3847679164045898
Energy: 1.3514940273771328
Energy: 1.6128356148250143
Energy: 1.3272074450119065
Energy: 1.6029966882628506
Energy: 1.4402348726793248
Energy: 1.384767916404921
Energy: 1.3514940273771328
Energy: 1.6128356148246834
Energy: 1.2710891933240756
Energy: 1.4460394612202936
Energy: 1.405982227225498
Energy: 1.2417523341816368
Energy: 1.2578297719407543
Energy: 1.399435165508052
Energy: 1.2710891933244066
Energy: 1.4460394612199625
Energy: 1.405982227225498
Energy: 1.2417523341816368
Energy: 1.2944559486191514
Energy: 1.436939778472097
Energy: 1.4706870042282882
Energy: 1.3332071497749538
Energy: 1.551194943303623
Energy: 1.280318590420115
Energy: 1.2944559486194822
Energy: 1.436939778472097
Energy: 1.4706870042246467
Energy: 1.3332071497746227
Energy: 1.5220784438175647
Energy: 1.2750230116730772
Energy: 1.4345065149559801
Energy: 1.3226164170749284
Energy: 1.304757381634962
Energy: 1.26270276140944
Energy: 1.5220784438178958
Energy: 1.2750230116730772
Energy: 1.4345065149559801
Energy: 1.3226164170752592
Energy: 1.3237030676449464
Energy: 1.5381417744455141
Energy: 1.275119704185748
Energy: 1.270243323060956
Energy: 1.2224288074669543
Energy: 1.3542966553051032
Energy: 1.3237030676449464
Energy: 1.5381417744458452
Energy: 1.275119704185417
Energy: 1.270243323060956
Energy: 1.419703619983456
Energy: 1.4774468226898012
Energy: 1.4352935709806667
Energy: 1.3479640179015837
Energy: 1.279862989160215
Energy: 1.5569657373262815
Energy: 1.4197036199837871
Energy: 1.4774468226898012
Energy: 1.4352935709806667
Energy: 1.3479640179019148
Energy: 1.3197908289087599
Energy: 1.3237330512887204
Energy: 1.4545242603197643
Energy: 1.3508454335271016
Energy: 1.3997327724387518
Energy: 1.2576585511727905
Energy: 1.3197908289087599
Energy: 1.3237330512887204
Energy: 1.4545242603200956
Energy: 1.3508454335271016
Energy: 1.6169048369527772
Energy: 1.370205423188391
Energy: 1.3844725688366473
Energy: 1.4310097006248002
Energy: 1.5821343344533136
Energy: 1.3875376562885913
Energy: 1.6169048369524461
Energy: 1.3702054231880598
Energy: 1.3844725688366473
Energy: 1.4310097006248002
Energy: 1.346099056368935
Energy: 1.2785510772548598
Energy: 1.3115865864993956
Energy: 1.310162550409581
Energy: 1.3886308570604964
Energy: 1.2449915025304028
Energy: 1.346099056369266
Energy: 1.278551077254529
Energy: 1.3115865864993956
Energy: 1.310162550408919
Energy: 1.2899887375684216
Energy: 1.2376642794927069
Energy: 1.4267567060037496
Energy: 1.420698563353288
Energy: 1.3312013116913735
Energy: 1.624288395224755
Energy: 1.2899887375684216
Energy: 1.2376642795029695
Energy: 1.4267567060040807
Energy: 1.4206985633516327
Energy: 1.2117371436433082
Energy: 1.3396534853724187
Energy: 1.2695970407851294
Energy: 1.5379323878705042
Energy: 1.357415978874792
Energy: 1.4096519037950452
Energy: 1.211737143643639
Energy: 1.3396534853717565
Energy: 1.2695970407847983
Energy: 1.5379323878708355
Energy: 1.32602977837983
Energy: 1.32980704500138
Energy: 1.3809691179546966
Energy: 1.2760620683477597
Energy: 1.399564741166786
Energy: 1.2060743718308953
Energy: 1.32602977837983
Energy: 1.3298070450017112
Energy: 1.3809691179537185
Energy: 1.2760620683480908

minimum gb energy = 1.2014380353051572 eV
minimum distance =  2.30850115433654 Angstroms
sigma value = 437


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

Energy: 1.3662828643634133
Energy: 1.4730673472274693
Energy: 1.38176198319314
Energy: 1.5291309521604144
Energy: 1.3817596123914937
Energy: 1.4731101580746082
Energy: 1.3662828643634133
Energy: 1.4730673472292783
Energy: 1.3817619831930168
Energy: 1.5291309521605378
Energy: 1.3343908510768598
Energy: 1.644967664559962
Energy: 1.2042897889651374
Energy: 1.2826345918460846
Energy: 1.4503540625801827
Energy: 1.367098805476543
Energy: 1.334390851076983
Energy: 1.6449676645603184
Energy: 1.2042897889647672
Energy: 1.2826345918460846
Energy: 1.334890843788371
Energy: 1.3479372610390306
Energy: 1.6874588132298267
Energy: 1.2532618394972699
Energy: 1.5237739426447292
Energy: 1.3586660851407484
Energy: 1.334890843788604
Energy: 1.3479372610390306
Energy: 1.687458813229347
Energy: 1.2532618394971464
Energy: 1.5257011424430251
Energy: 1.3426474865096527
Energy: 1.4839796667148009
Energy: 1.258083889489514
Energy: 1.2955053090177406
Energy: 1.2463853105633909
Energy: 1.525701142442066
Energy: 1.3426474865094058
Energy: 1.4839796667150476
Energy: 1.2580838894892672
Energy: 1.391962743366986
Energy: 1.4586786998171828
Energy: 1.2941466783808584
Energy: 1.4071281789676677
Energy: 1.2492524187333087
Energy: 1.3228721837454787
Energy: 1.3919627433665065
Energy: 1.296772342364888
Energy: 1.2941466783802555
Energy: 1.407128178967188
Energy: 1.3921118833331751
Energy: 1.3580675402641145
Energy: 1.3032633755768395
Energy: 1.3972448224741827
Energy: 1.4081923621876231
Energy: 1.3912772163189013
Energy: 1.3921118833332982
Energy: 1.3580675402650877
Energy: 1.3032633755764693
Energy: 1.3972448224740592
Energy: 1.645791575975561
Energy: 1.2599421892065168
Energy: 1.3677274217996216
Energy: 1.2459146461377035
Energy: 1.483473951990066
Energy: 1.3478509789702242
Energy: 1.645791575975561
Energy: 1.2599421892066403
Energy: 1.3677274218051587
Energy: 1.2459146461377035
Energy: 1.310778083046302
Energy: 1.3564038878291471
Energy: 1.4838895154238219
Energy: 1.2581267079577547
Energy: 1.516533966803775
Energy: 1.4225124320365097
Energy: 1.3107780830461786
Energy: 1.3564038878291471
Energy: 1.483889515423945
Energy: 1.2581267079578644
Energy: 1.3341175696421383
Energy: 1.3769004877522595
Energy: 1.5983188394627728
Energy: 1.487555511468225
Energy: 1.3815652285699411
Energy: 1.643640099414292
Energy: 1.3341175696424945
Energy: 1.376900487752383
Energy: 1.5983188394627728
Energy: 1.4875555119891348
Energy: 1.3716987543082688
Energy: 1.2370919807794
Energy: 1.2963911975902933
Energy: 1.3973412460473569
Energy: 1.2047394272929948
Energy: 1.6330012982550657
Energy: 1.371698754307899
Energy: 1.2370919807791534
Energy: 1.2963911975905265
Energy: 1.3973412460470005
Energy: 1.4826410383182285
Energy: 1.2458266592156706
Energy: 1.2952167525787701
Energy: 1.257590753693086
Energy: 1.3347469040315207
Energy: 1.2550710178107722
Energy: 1.482641038696288
Energy: 1.2458266592151908
Energy: 1.2952167525779341
Energy: 1.2575907536929767
Energy: 1.3615473123090813
Energy: 1.3563879599584032
Energy: 1.6016429053614334
Energy: 1.343667061330225
Energy: 1.6017479132513723
Energy: 1.3562924881956928
Energy: 1.361547312308478
Energy: 1.3563879599584032
Energy: 1.6016429053651748
Energy: 1.3436670613307182
Energy: 1.4821947780275968
Energy: 1.254866135972455
Energy: 1.3347469040313975
Energy: 1.257577166034325
Energy: 1.2947876272029268
Energy: 1.2458252712740732
Energy: 1.482194778030132
Energy: 1.254866135972222
Energy: 1.3347469040310411
Energy: 1.2575771660345578
Energy: 1.3907969826860882
Energy: 1.6329675719693
Energy: 1.2046430281623839
Energy: 1.3973849385593855
Energy: 1.3032439806460163
Energy: 1.237457216882412
Energy: 1.3907969826888706
Energy: 1.6329675719689436
Energy: 1.2046430281625073
Energy: 1.3973849385589057

minimum gb energy = 1.2042897889647672 eV
minimum distance =  2.29686712665799 Angstroms
sigma value = 33