Model name: model_name=MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6150126680731782
cohesive_energy=3.5402784095890816
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.01369884537379699
Energy: 1.6939631464010907
Energy: 0.01369884537379699
Energy: 1.6939631464014042
Energy: 0.01369884537379699
Energy: 1.6939631464014042
Energy: 1.6939631464010907
Energy: 1.59261044393581
Energy: 1.6939631464010907
Energy: 1.6519508994340169
Energy: 1.6939631464014042
Energy: 1.651950899434923
Energy: 0.01369884537379699
Energy: 1.6939631464010907
Energy: 0.01369884537379699
Energy: 1.6939631464014042
Energy: 0.01369884537379699
Energy: 1.6939631464010907
Energy: 1.6939631464010907
Energy: 1.6519508994340169
Energy: 1.6939631464010907
Energy: 1.651950899434296
Energy: 1.6939631464014042
Energy: 1.6519508994333898
Energy: 0.01369884537379699
Energy: 1.6939631464010907
Energy: 0.01369884537379699
Energy: 1.6939631464014042
Energy: 0.01369884537379699
Energy: 1.6939631464010907
Energy: 1.6939631464014042
Energy: 1.6519508994340169
Energy: 1.6939631464014042
Energy: 1.651950899434923
Energy: 1.6939631464010907
Energy: 1.651950899434923

minimum gb energy = 0.01369884537379699 eV
minimum distance =  2.34530002656703 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.5103628076508842
Energy: 1.2902785186270367
Energy: 1.5103628076508842
Energy: 1.2902785186270367
Energy: 1.5103628076508842
Energy: 1.290278518626282
Energy: 1.6621545451550266
Energy: 1.1627384912627785
Energy: 1.6621545451557818
Energy: 1.1627384912627785
Energy: 1.6621545451557818
Energy: 1.1627384912627785
Energy: 1.3621377434693596
Energy: 1.3956330745532224
Energy: 1.3621377434701145
Energy: 1.3956330745502028
Energy: 1.3621377434693596
Energy: 1.3956330745502028
Energy: 1.543679586939759
Energy: 1.2735866012072625
Energy: 1.543679586939759
Energy: 1.2735866012080175
Energy: 1.543679586939759
Energy: 1.2735866012080175
Energy: 1.37393446802208
Energy: 1.5157722950428159
Energy: 1.37393446802208
Energy: 1.5157722950435708
Energy: 1.37393446802208
Energy: 1.5157722950428159
Energy: 1.4948280023240599
Energy: 1.261611190252034
Energy: 1.4948280023240599
Energy: 1.261611190252034
Energy: 1.4948280023240599
Energy: 1.261611190252034
Energy: 1.264091790028601
Energy: 1.4727955118837996
Energy: 1.264091790029356
Energy: 1.472795511883045
Energy: 1.264091790029356
Energy: 1.4727955118837996
Energy: 1.2642317325297308
Energy: 1.5876962150764735
Energy: 1.2642317325297308
Energy: 1.5876962150749638
Energy: 1.2642317325297308
Energy: 1.5876962150764735
Energy: 1.4894206757507746
Energy: 1.4646292172863635
Energy: 1.4894206757507746
Energy: 1.4646292172856088
Energy: 1.489420675752284
Energy: 1.4646292172863635
Energy: 1.1675321923950737
Energy: 1.5567560147463089
Energy: 1.1675321923950737
Energy: 1.556756014745554
Energy: 1.1675321923950737
Energy: 1.5567560147440442
Energy: 1.3770563335282093
Energy: 1.2579088913371657
Energy: 1.3770563335282093
Energy: 1.2579088913371657
Energy: 1.3770563335282093
Energy: 1.2579088913371657
Energy: 1.0736709967697877
Energy: 1.4600436852276844
Energy: 1.0736709967705427
Energy: 1.46004368522542
Energy: 1.0736709967697877
Energy: 1.46004368522542
Energy: 1.606004203197495
Energy: 1.064485159119939
Energy: 1.6060042031959854
Energy: 1.064485159119939
Energy: 1.6060042031967399
Energy: 1.064485159119939
Energy: 1.2771128982139957
Energy: 1.2397450857376477
Energy: 1.2771128982139957
Energy: 1.2397450857376477
Energy: 1.2771128982139957
Energy: 1.2397450857376477
Energy: 1.6759548361048218
Energy: 1.161965744204442
Energy: 1.6759548361048218
Energy: 1.1619657442036873
Energy: 1.6759548361040668
Energy: 1.1619657442036873
Energy: 1.6865811740997163
Energy: 1.4465248529196881
Energy: 1.6865811740997163
Energy: 1.4465248529181784
Energy: 1.6865811740997163
Energy: 1.4465248529189334
Energy: 1.4577078875074645
Energy: 1.3797953005701975
Energy: 1.4577078875074645
Energy: 1.3797953005701975
Energy: 1.4577078875074645
Energy: 1.3797953005694428
Energy: 1.4513357916289908
Energy: 1.2826744539637067
Energy: 1.4513357916289908
Energy: 1.2826744539637067
Energy: 1.4513357916289908
Energy: 1.2826744539637067
Energy: 1.3835267717814446
Energy: 1.3122589410492753
Energy: 1.3835267717821993
Energy: 1.3122589410492753
Energy: 1.3835267717821993
Energy: 1.3122589410500303
Energy: 1.4295828713145884
Energy: 1.2617503517577153
Energy: 1.4295828713138334
Energy: 1.2617503517577153
Energy: 1.4295828713130787
Energy: 1.2617503517577153
Energy: 1.1742236692183878
Energy: 1.8669768875230401
Energy: 1.1742236692183878
Energy: 1.8669768875222852
Energy: 1.1742236692176329
Energy: 1.8669768875222852
Energy: 1.4260091993106039
Energy: 1.491267494238561
Energy: 1.426009199309849
Energy: 1.491267494238561
Energy: 1.426009199309849
Energy: 1.491267494238561
Energy: 1.1610457627575739
Energy: 1.6234025751763137
Energy: 1.1610457627560642
Energy: 1.6234025751763137
Energy: 1.1610457627575739
Energy: 1.6234025751755592

minimum gb energy = 1.064485159119939 eV
minimum distance =  2.3305084284059 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.5599924022997207
Energy: 1.5467835850429643
Energy: 1.5599924022997207
Energy: 1.5467835850412468
Energy: 1.5599924022997207
Energy: 1.5467835850416762
Energy: 1.523926182150302
Energy: 1.3075681696175163
Energy: 1.5239261821515901
Energy: 1.3075681696175163
Energy: 1.5239261821498726
Energy: 1.3075681696170869
Energy: 1.0831559582608823
Energy: 1.306892823555836
Energy: 1.0831559582608823
Energy: 1.306892823555836
Energy: 1.0831559582613115
Energy: 1.306892823555836
Energy: 1.4377438738475554
Energy: 1.6158989184070827
Energy: 1.437743873848414
Energy: 1.6158989184066532
Energy: 1.437743873848414
Energy: 1.6158989184070827
Energy: 1.307754966827485
Energy: 1.37242136697769
Energy: 1.3077549668283437
Energy: 1.3724213669751135
Energy: 1.307754966827485
Energy: 1.372421366975543
Energy: 1.3067884624755322
Energy: 1.0819301426046144
Energy: 1.3067884624751027
Energy: 1.0819301426050438
Energy: 1.3067884624755322
Energy: 1.0819301426046144
Energy: 1.7130884339083228
Energy: 1.530580636549046
Energy: 1.713088433908752
Energy: 1.530580636549046
Energy: 1.713088433909611
Energy: 1.530580636549046
Energy: 1.0736894370318208
Energy: 1.5271384470847045
Energy: 1.0736894370326795
Energy: 1.5271384470855633
Energy: 1.07368943703225
Energy: 1.5271384470847045
Energy: 1.13502256670724
Energy: 1.084864887298537
Energy: 1.1350225667076694
Energy: 1.0848648872989664
Energy: 1.1350225667080989
Energy: 1.084864887298537
Energy: 1.0566192305021576
Energy: 1.44647159568601
Energy: 1.0566192305025868
Energy: 1.446471595687298
Energy: 1.0566192305030162
Energy: 1.4464715956881569
Energy: 1.445212187007115
Energy: 1.0592878239485264
Energy: 1.445212187007974
Energy: 1.0592878239480972
Energy: 1.4452121870084031
Energy: 1.0592878239485264
Energy: 1.0819368061391372
Energy: 1.133386920304847
Energy: 1.0819368061387078
Energy: 1.133386920304847
Energy: 1.0819368061387078
Energy: 1.133386920304847
Energy: 1.5271526967796072
Energy: 1.0724825343767381
Energy: 1.5271526967800366
Energy: 1.0724825343763087
Energy: 1.527152696780466
Energy: 1.0724825343767381
Energy: 1.526512407245557
Energy: 1.7120765745338316
Energy: 1.526512407245557
Energy: 1.7120765745338316
Energy: 1.526512407245557
Energy: 1.7120765745338316
Energy: 1.3327333834798016
Energy: 1.3067394187600536
Energy: 1.3327333834806603
Energy: 1.306739418759195
Energy: 1.3327333834806603
Energy: 1.3067394187587655
Energy: 1.0817289799269973
Energy: 1.3070215476180769
Energy: 1.0817289799269973
Energy: 1.3070215476185065
Energy: 1.0817289799274268
Energy: 1.3070215476197946
Energy: 1.5919170291751366
Energy: 1.4393649341809822
Energy: 1.5919170291751366
Energy: 1.4393649341822705
Energy: 1.5919170291751366
Energy: 1.439364934181841
Energy: 1.3067013298107122
Energy: 1.0818743892715788
Energy: 1.3067013298089944
Energy: 1.0818743892711493
Energy: 1.3067013298115708
Energy: 1.0818743892715788
Energy: 1.3081535420748784
Energy: 1.332064497061338
Energy: 1.3081535420753079
Energy: 1.3320644970609086
Energy: 1.3081535420753079
Energy: 1.3320644970609086
Energy: 1.5486812020911136
Energy: 1.5291582868555216
Energy: 1.5486812020911136
Energy: 1.5291582868542333
Energy: 1.5486812020915428
Energy: 1.5291582868533746
Energy: 1.071643219967902
Energy: 1.7514623680870447
Energy: 1.071643219967902
Energy: 1.7514623680866155
Energy: 1.0716432199683312
Energy: 1.7514623680870447
Energy: 1.348836657602927
Energy: 1.0850317092690067
Energy: 1.348836657602927
Energy: 1.0850317092690067
Energy: 1.3488366576020683
Energy: 1.0850317092690067
Energy: 1.056284916825644
Energy: 1.7276650157067677
Energy: 1.0562849168260733
Energy: 1.7276650157055184
Energy: 1.056284916825644
Energy: 1.7276650157046596
Energy: 1.4482305483250086
Energy: 1.3074416405065548
Energy: 1.4482305483262967
Energy: 1.3074416405061253
Energy: 1.4482305483245794
Energy: 1.3074416405061253
Energy: 1.08329428091657
Energy: 1.3505383121991268
Energy: 1.08329428091657
Energy: 1.3505383121999857
Energy: 1.0832942809174289
Energy: 1.3505383121995562
Energy: 1.5277490557693236
Energy: 1.5563734948464025
Energy: 1.527749055768465
Energy: 1.5563734948476906
Energy: 1.5277490557680355
Energy: 1.556373494846832
Energy: 1.5277325605971015
Energy: 1.5562222811658402
Energy: 1.5277325605979604
Energy: 1.5562222811649815
Energy: 1.527732560600107
Energy: 1.5562222811671285
Energy: 1.083099124505311
Energy: 1.3502691186705695
Energy: 1.0830991245057404
Energy: 1.3502691186705695
Energy: 1.083099124505311
Energy: 1.35026911867014
Energy: 1.448449820834798
Energy: 1.307584553325173
Energy: 1.4484498208352274
Energy: 1.307584553325173
Energy: 1.4484498208352274
Energy: 1.307584553325173
Energy: 1.0562777530260277
Energy: 1.7276450677249817
Energy: 1.0562777530260277
Energy: 1.7276450677254112
Energy: 1.0562777530260277
Energy: 1.7276450677249817
Energy: 1.3489035777075888
Energy: 1.0850208051735708
Energy: 1.3489035777075888
Energy: 1.0850208051740002
Energy: 1.3489035777080183
Energy: 1.0850208051740002
Energy: 1.0716983051842344
Energy: 1.7515387533217361
Energy: 1.0716983051842344
Energy: 1.7515387533221654
Energy: 1.0716983051842344
Energy: 1.7515387533221654
Energy: 1.5486493333702935
Energy: 1.529275815283371
Energy: 1.5486493333702935
Energy: 1.529275815282512
Energy: 1.548649333369864
Energy: 1.529275815282512
Energy: 1.30814058280027
Energy: 1.3324662106839074
Energy: 1.3081405827998405
Energy: 1.3324662106864837
Energy: 1.308140582799411
Energy: 1.3324662106847662
Energy: 1.3067426803011555
Energy: 1.081960884643429
Energy: 1.3067426803020146
Energy: 1.0819608846429998
Energy: 1.3067426803020146
Energy: 1.0819608846425701
Energy: 1.5920650322110328
Energy: 1.4392459930330064
Energy: 1.5920650322110328
Energy: 1.4392459930330064
Energy: 1.5920650322101741
Energy: 1.439245993031289
Energy: 1.0817986916288338
Energy: 1.306984342026601
Energy: 1.0817986916284046
Energy: 1.3069843420257423
Energy: 1.0817986916284046
Energy: 1.306984342026601
Energy: 1.3325376923701717
Energy: 1.3067480818537296
Energy: 1.3325376923701717
Energy: 1.3067480818558765
Energy: 1.332537692370601
Energy: 1.3067480818537296
Energy: 1.5265527236794205
Energy: 1.7120250496371374
Energy: 1.5265527236794205
Energy: 1.712025049637567
Energy: 1.5265527236802794
Energy: 1.712025049637567
Energy: 1.527037686418661
Energy: 1.0725399502704311
Energy: 1.5270376864190904
Energy: 1.0725399502700017
Energy: 1.527037686419949
Energy: 1.0725399502704311
Energy: 1.081930420555993
Energy: 1.1333016042252015
Energy: 1.081930420555993
Energy: 1.1333016042252015
Energy: 1.0819304205564224
Energy: 1.1333016042252015

minimum gb energy = 1.0562777530260277 eV
minimum distance =  2.38575707814456 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.4236761008377492
Energy: 1.4091412286992677
Energy: 1.4236761008387442
Energy: 1.4091412286992677
Energy: 1.4236761008387442
Energy: 1.4091412286992677
Energy: 1.714976357704406
Energy: 1.267054171854969
Energy: 1.714976357703411
Energy: 1.267054171854969
Energy: 1.714976357704406
Energy: 1.267054171854969
Energy: 1.3646585796360295
Energy: 1.5340498728900736
Energy: 1.3646585796360295
Energy: 1.5340498728900736
Energy: 1.3646585796350348
Energy: 1.5340498728900736
Energy: 1.3829968298583617
Energy: 1.1005774629671456
Energy: 1.3829968298583617
Energy: 1.1005774629671456
Energy: 1.3829968298593565
Energy: 1.1005774629671456
Energy: 1.4040155993699641
Energy: 1.3790873904807222
Energy: 1.4040155993699641
Energy: 1.3790873904797274
Energy: 1.4040155993709589
Energy: 1.3790873904797274
Energy: 1.4021597760247055
Energy: 1.3791157665218803
Energy: 1.4021597760247055
Energy: 1.3791157665228748
Energy: 1.4021597760247055
Energy: 1.3791157665228748
Energy: 1.5135455527585544
Energy: 1.3843976320407136
Energy: 1.5135455527585544
Energy: 1.3843976320407136
Energy: 1.5135455527585544
Energy: 1.3843976320407136
Energy: 1.2603110886373667
Energy: 1.3792198214687985
Energy: 1.2603110886383615
Energy: 1.3792198214697933
Energy: 1.2603110886383615
Energy: 1.3792198214687985
Energy: 1.6030018942124953
Energy: 1.0965676007962915
Energy: 1.6030018942124953
Energy: 1.0965676007962915
Energy: 1.6030018942124953
Energy: 1.0965676007962915
Energy: 1.1294728203548294
Energy: 1.4863421507605008
Energy: 1.1294728203548294
Energy: 1.4863421507605008
Energy: 1.1294728203548294
Energy: 1.4863421507605008
Energy: 1.6731652068692406
Energy: 1.124337445964198
Energy: 1.6731652068712302
Energy: 1.124337445964198
Energy: 1.6731652068712302
Energy: 1.124337445964198
Energy: 1.4266797356817709
Energy: 1.4111652091315563
Energy: 1.4266797356817709
Energy: 1.4111652091315563
Energy: 1.4266797356817709
Energy: 1.4111652091305613
Energy: 1.7013429834440583
Energy: 1.267105244166093
Energy: 1.7013429834440583
Energy: 1.267105244166093
Energy: 1.7013429834440583
Energy: 1.267105244166093
Energy: 1.3606008565520153
Energy: 1.2844598596407382
Energy: 1.3606008565520153
Energy: 1.2844598596407382
Energy: 1.36060085655301
Energy: 1.2844598596407382
Energy: 1.3767311161175775
Energy: 1.3977139190484509
Energy: 1.3767311161175775
Energy: 1.3977139190484509
Energy: 1.3767311161175775
Energy: 1.3977139190484509
Energy: 1.402300387937308
Energy: 1.3792489619643757
Energy: 1.4023003879363132
Energy: 1.3792489619643757
Energy: 1.402300387937308
Energy: 1.3792489619643757
Energy: 1.404219528488171
Energy: 1.5439254180146387
Energy: 1.4042195284871761
Energy: 1.5439254180156334
Energy: 1.404219528488171
Energy: 1.5439254180156334
Energy: 1.3260080435808337
Energy: 1.3899408512306592
Energy: 1.3260080435808337
Energy: 1.3899408512306592
Energy: 1.3260080435808337
Energy: 1.3899408512306592

minimum gb energy = 1.0965676007962915 eV
minimum distance =  2.26813111024156 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.0761547320057485
Energy: 1.0689327379169817
Energy: 1.076154732005158
Energy: 1.0689327379169817
Energy: 1.076154732005158
Energy: 1.0689327379169817
Energy: 1.4109889771927495
Energy: 1.4453833635262123
Energy: 1.4109889771927495
Energy: 1.4453833635262123
Energy: 1.4109889771927495
Energy: 1.4453833635262123
Energy: 1.0224902802353828
Energy: 1.4449176167640967
Energy: 1.022490280235973
Energy: 1.4449176167635067
Energy: 1.0224902802353828
Energy: 1.4449176167635067
Energy: 1.118794147692656
Energy: 1.0223907552698606
Energy: 1.1187941476920658
Energy: 1.0223907552698606
Energy: 1.1187941476920658
Energy: 1.0223907552698606
Energy: 1.0517254280787662
Energy: 1.075019490270532
Energy: 1.0517254280787662
Energy: 1.075019490270532
Energy: 1.0517254280787662
Energy: 1.075019490270532
Energy: 1.0516827988820256
Energy: 1.0751293520228253
Energy: 1.0516827988826158
Energy: 1.0751293520228253
Energy: 1.0516827988820256
Energy: 1.0751293520228253
Energy: 1.1187771489805478
Energy: 1.022391535923349
Energy: 1.1187771489805478
Energy: 1.022391535923349
Energy: 1.1187771489793674
Energy: 1.022391535923349
Energy: 1.0224864727861276
Energy: 1.44477953727706
Energy: 1.0224864727861276
Energy: 1.4447795372764698
Energy: 1.0224864727861276
Energy: 1.44477953727765
Energy: 1.4109943231626645
Energy: 1.4453977002002951
Energy: 1.4109943231620743
Energy: 1.4453977002002951
Energy: 1.4109943231626645
Energy: 1.4453977002002951
Energy: 1.076154732005158
Energy: 1.0689327379163915
Energy: 1.076154732005158
Energy: 1.0689327379163915
Energy: 1.076154732005158
Energy: 1.0689327379169817
Energy: 1.4109889771927495
Energy: 1.4453833635262123
Energy: 1.4109889771933397
Energy: 1.4453833635262123
Energy: 1.4109889771921598
Energy: 1.4453833635262123
Energy: 1.022490280235973
Energy: 1.4449176167640967
Energy: 1.0224902802353828
Energy: 1.4449176167635067
Energy: 1.0224902802353828
Energy: 1.4449176167629165
Energy: 1.1187941476920658
Energy: 1.0223907552698606
Energy: 1.118794147692656
Energy: 1.0223907552698606
Energy: 1.118794147692656
Energy: 1.0223907552698606
Energy: 1.0517254280787662
Energy: 1.0750194902699417
Energy: 1.0517254280793567
Energy: 1.075019490270532
Energy: 1.0517254280793567
Energy: 1.075019490270532
Energy: 1.0516827988820256
Energy: 1.0751293520228253
Energy: 1.0516827988820256
Energy: 1.0751293520222351
Energy: 1.0516827988820256
Energy: 1.0751293520222351
Energy: 1.1187771489805478
Energy: 1.022391535923349
Energy: 1.1187771489799574
Energy: 1.022391535923349
Energy: 1.1187771489805478
Energy: 1.022391535923349
Energy: 1.0224864727861276
Energy: 1.44477953727706
Energy: 1.0224864727861276
Energy: 1.4447795372764698
Energy: 1.0224864727861276
Energy: 1.4447795372764698
Energy: 1.4109943231632545
Energy: 1.4453977002002951
Energy: 1.4109943231626645
Energy: 1.4453977002002951
Energy: 1.4109943231626645
Energy: 1.4453977002002951
Energy: 1.0761547320057485
Energy: 1.0689327379169817
Energy: 1.076154732005158
Energy: 1.0689327379169817
Energy: 1.076154732004568
Energy: 1.0689327379169817
Energy: 1.4109889771927495
Energy: 1.4453833635262123
Energy: 1.4109889771933397
Energy: 1.4453833635262123
Energy: 1.4109889771927495
Energy: 1.4453833635262123
Energy: 1.022490280235973
Energy: 1.4449176167640967
Energy: 1.0224902802353828
Energy: 1.4449176167635067
Energy: 1.0224902802353828
Energy: 1.4449176167629165
Energy: 1.118794147692656
Energy: 1.0223907552698606
Energy: 1.118794147692656
Energy: 1.0223907552698606
Energy: 1.118794147692656
Energy: 1.0223907552698606
Energy: 1.0517254280787662
Energy: 1.075019490270532
Energy: 1.0517254280793567
Energy: 1.075019490270532
Energy: 1.0517254280793567
Energy: 1.0750194902699417
Energy: 1.0516827988820256
Energy: 1.0751293520228253
Energy: 1.0516827988826158
Energy: 1.0751293520228253
Energy: 1.0516827988820256
Energy: 1.0751293520228253
Energy: 1.1187771489805478
Energy: 1.022391535923349
Energy: 1.1187771489805478
Energy: 1.022391535923349
Energy: 1.1187771489805478
Energy: 1.022391535923349
Energy: 1.0224864727861276
Energy: 1.4447795372758796
Energy: 1.0224864727867178
Energy: 1.4447795372758796
Energy: 1.0224864727861276
Energy: 1.4447795372764698
Energy: 1.4109943231626645
Energy: 1.4453977002002951
Energy: 1.4109943231626645
Energy: 1.4453977002002951
Energy: 1.4109943231626645
Energy: 1.4453977002002951
Energy: 1.076154732005158
Energy: 1.0689327379169817
Energy: 1.076154732005158
Energy: 1.0689327379169817
Energy: 1.076154732005158
Energy: 1.0689327379169817
Energy: 1.4109889771927495
Energy: 1.4453833635268025
Energy: 1.4109889771927495
Energy: 1.4453833635268025
Energy: 1.4109889771927495
Energy: 1.4453833635268025
Energy: 1.0224902802353828
Energy: 1.4449176167640967
Energy: 1.0224902802353828
Energy: 1.4449176167635067
Energy: 1.022490280235973
Energy: 1.4449176167635067

minimum gb energy = 1.0223907552698606 eV
minimum distance =  2.2912619472233 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.0859478352187983
Energy: 1.053465908791176
Energy: 1.0859478352187983
Energy: 1.053465908791176
Energy: 1.0859478352187983
Energy: 1.053465908791176
Energy: 1.454926095923503
Energy: 1.0930112008497181
Energy: 1.454926095923503
Energy: 1.0930112008497181
Energy: 1.454926095923503
Energy: 1.0930112008497181
Energy: 1.1213026983255099
Energy: 1.2269524368380527
Energy: 1.1213026983269556
Energy: 1.2269524368380527
Energy: 1.1213026983255099
Energy: 1.2269524368380527
Energy: 1.5175441774703877
Energy: 1.0301550916827216
Energy: 1.5175441774689424
Energy: 1.0301550916827216
Energy: 1.5175441774689424
Energy: 1.0301550916827216
Energy: 1.5190541932318122
Energy: 1.0302100495360234
Energy: 1.5190541932318122
Energy: 1.0302100495374689
Energy: 1.5190541932318122
Energy: 1.0302100495374689
Energy: 1.364396738337728
Energy: 1.4114994560870506
Energy: 1.3643967383391735
Energy: 1.4114994560884961
Energy: 1.3643967383391735
Energy: 1.4114994560870506
Energy: 1.2656789904621037
Energy: 1.0949699459946838
Energy: 1.2656789904621037
Energy: 1.0949699459946838
Energy: 1.2656789904621037
Energy: 1.0949699459946838
Energy: 1.0832558768559524
Energy: 1.0567267216584992
Energy: 1.0832558768559524
Energy: 1.0567267216584992
Energy: 1.0832558768545069
Energy: 1.0567267216584992
Energy: 1.459573321396114
Energy: 1.1210357779911388
Energy: 1.459573321396114
Energy: 1.1210357868047829
Energy: 1.459573321396114
Energy: 1.1210358106709502
Energy: 1.2415445085587078
Energy: 1.3481983076839428
Energy: 1.2415445085587078
Energy: 1.3481983076824973
Energy: 1.2415445085587078
Energy: 1.3481983076839428
Energy: 1.0540608467711332
Energy: 1.0304008342027582
Energy: 1.2606163741424579
Energy: 1.0304008342027582
Energy: 1.2606163741410124
Energy: 1.0304008342027582
Energy: 1.4034228735849197
Energy: 1.2883635796708648
Energy: 1.4034228735849197
Energy: 1.2883635796708648
Energy: 1.4034228735849197
Energy: 1.2883635796708648

minimum gb energy = 1.0301550916827216 eV
minimum distance =  2.26522309581473 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.2514039368311647
Energy: 1.1238425935142649
Energy: 1.251403936831571
Energy: 1.1238425935142649
Energy: 1.2514039368311647
Energy: 1.1238425935138585
Energy: 1.2197095891046497
Energy: 1.201916374987779
Energy: 1.2197095891034313
Energy: 1.0690372253682567
Energy: 1.2197095891046497
Energy: 1.0690372253686629
Energy: 1.0154583041827174
Energy: 1.4831239242811718
Energy: 1.0154583041835297
Energy: 1.4831239242815781
Energy: 1.0154583041794683
Energy: 1.4831239242815781
Energy: 1.0128510451001849
Energy: 0.9768676281917266
Energy: 1.0128510451014032
Energy: 0.9768676281937574
Energy: 1.012851045100591
Energy: 0.9768676281921327
Energy: 1.123729668599971
Energy: 1.0925206722772645
Energy: 1.1237296686011895
Energy: 1.0925206722772645
Energy: 1.1237296686007832
Energy: 1.0925206722764522
Energy: 1.1779819857151603
Energy: 1.2275455206538555
Energy: 1.1779819857151603
Energy: 1.2275455206534491
Energy: 1.1779819857151603
Energy: 1.2690493361858182
Energy: 1.1014081988706026
Energy: 1.1361768397105143
Energy: 1.1014081988710087
Energy: 1.1361768397105143
Energy: 1.1014081988701965
Energy: 1.1361768397105143
Energy: 0.95683870973005
Energy: 1.1668052565985363
Energy: 0.9568387097304563
Energy: 1.1668052565985363
Energy: 0.95683870973005
Energy: 1.1668052565985363
Energy: 1.2967258608759469
Energy: 1.0886798105615334
Energy: 1.2967258608775716
Energy: 1.088679810561127
Energy: 1.2967258608759469
Energy: 1.088679810561127
Energy: 1.1232869740098002
Energy: 1.4650767693860922
Energy: 1.1232869740093938
Energy: 1.4650767693860922
Energy: 1.1232869740085816
Energy: 1.4650767693869045
Energy: 1.0116763398301702
Energy: 0.9803399207955998
Energy: 1.0116763398309825
Energy: 0.9803399207960061
Energy: 1.0116763398301702
Energy: 0.9803399207960061
Energy: 1.0717541246730637
Energy: 1.2274003289308417
Energy: 1.0717541246726578
Energy: 1.2274003289308417
Energy: 1.07175412467347
Energy: 1.2274003289292172
Energy: 1.238733452395757
Energy: 1.1433930133627428
Energy: 1.2387334523994122
Energy: 1.1433930133627428
Energy: 1.238733452342588
Energy: 1.1433930133623367
Energy: 1.2577477111310145
Energy: 1.5998865441285661
Energy: 1.2577477111314206
Energy: 1.5998865441285661
Energy: 1.2577477111310145
Energy: 1.5998865441289725
Energy: 0.9884950387842256
Energy: 1.1405290854844243
Energy: 0.9884950387830072
Energy: 1.1405290854848307
Energy: 0.9884950387838194
Energy: 1.1405290854848307
Energy: 1.2134319151441517
Energy: 1.1672527114691644
Energy: 1.21343191514537
Energy: 1.1672527114716014
Energy: 1.2134319151437454
Energy: 1.1672527114711955
Energy: 1.333750882799511
Energy: 0.9766939479657779
Energy: 1.333750882799105
Energy: 0.9766939479649657
Energy: 1.333750882799105
Energy: 0.9766939479649657
Energy: 0.9990472014811054
Energy: 1.0917338352198596
Energy: 0.9990472014811054
Energy: 1.0917338352198596
Energy: 0.9990472014819177
Energy: 1.0917338352198596
Energy: 0.9544142007625498
Energy: 1.3832073689281144
Energy: 0.9544142007609252
Energy: 1.3832073689285205
Energy: 0.9544142007621436
Energy: 1.3832073689285205
Energy: 1.4604236455852115
Energy: 1.133199632297143
Energy: 1.4604236455852115
Energy: 1.1331996322963307
Energy: 1.4604236455852115
Energy: 1.1331996322967368
Energy: 0.9544996548199027
Energy: 1.3830409925239764
Energy: 0.9544996548199027
Energy: 1.3830409925235703
Energy: 0.9544996548211212
Energy: 1.3830409925239764
Energy: 0.9984795732011305
Energy: 1.0920201367395632
Energy: 0.9984795732007242
Energy: 1.092020136739157
Energy: 0.9984795732007242
Energy: 1.0920201367395632
Energy: 1.3324040450696364
Energy: 0.9765778865087298
Energy: 1.3324040450692303
Energy: 0.9765778865087298
Energy: 1.332404045068824
Energy: 0.9765778865083236
Energy: 1.227913214350816
Energy: 1.229567159975423
Energy: 1.227913214351222
Energy: 1.2295671599737985
Energy: 1.2279132143504097
Energy: 1.2295671599746107
Energy: 0.9884622451696744
Energy: 1.14295972248887
Energy: 0.9884622451692682
Energy: 1.142959722489276
Energy: 0.9884622451692682
Energy: 1.14295972248887
Energy: 1.2572276942780425
Energy: 1.2636382178040813
Energy: 1.2572276942772302
Energy: 1.2636382178040813
Energy: 1.2572276942776361
Energy: 1.2636382178040813
Energy: 1.2397425284061225
Energy: 1.1426123715729823
Energy: 1.2397425284069348
Energy: 1.142612371574607
Energy: 1.2397425284061225
Energy: 1.1426123715729823
Energy: 1.071649885953136
Energy: 1.1163026383961976
Energy: 1.0716498859535422
Energy: 1.116302638396604
Energy: 1.07164988595273
Energy: 1.116302638396604
Energy: 1.0116872975895406
Energy: 0.9803547631367788
Energy: 1.0116872975899467
Energy: 0.9803547631363726
Energy: 1.0116872975899467
Energy: 0.9803547631363726
Energy: 1.1232036016145757
Energy: 1.4583838472217905
Energy: 1.1232036016149818
Energy: 1.4583838472193535
Energy: 1.1232036016145757
Energy: 1.4583838472213846
Energy: 1.2976753000914765
Energy: 1.092098168700543
Energy: 1.2976753000910703
Energy: 1.0920981687009492
Energy: 1.2976753000898518
Energy: 1.0920981687017615
Energy: 0.9568484804867123
Energy: 1.166387818059627
Energy: 0.9568484804859001
Energy: 1.1663878180588145
Energy: 0.9568484804867123
Energy: 1.1663878180600329
Energy: 1.1016482482280678
Energy: 1.134515208384503
Energy: 1.1016482482288803
Energy: 1.134515208384503
Energy: 1.1016482482288803
Energy: 1.134515208384503
Energy: 1.17801618097943
Energy: 1.2137991097494834
Energy: 1.1780161809778054
Energy: 1.213799109748265
Energy: 1.1780161809810543
Energy: 1.2137991097494834
Energy: 1.1240981417238207
Energy: 1.0928152602763388
Energy: 1.1240981417234148
Energy: 1.092815260276745
Energy: 1.1240981417238207
Energy: 1.0928152602759327
Energy: 1.0128148690691647
Energy: 0.9763831214417444
Energy: 1.0128148690691647
Energy: 0.9763831214421504
Energy: 1.0128148690687588
Energy: 0.9763831214421504
Energy: 1.015294533280828
Energy: 1.4831143881120004
Energy: 1.015294533280828
Energy: 1.4831143881120004
Energy: 1.015294533280828
Energy: 1.4831143881124065
Energy: 1.2218110663440347
Energy: 1.1218893425599241
Energy: 1.2218110663363178
Energy: 1.1218893425599241
Energy: 1.2218110663436286
Energy: 1.1218893425599241
Energy: 1.2514039368311647
Energy: 1.1238425935142649
Energy: 1.251403936831977
Energy: 1.1238425935142649
Energy: 1.251403936831571
Energy: 1.1238425935142649
Energy: 1.219709589105056
Energy: 1.0690372253678506
Energy: 1.2197095891014005
Energy: 1.0690372253678506
Energy: 1.219709589102619
Energy: 1.0690372253678506
Energy: 1.0154583041802805
Energy: 1.4831239242819843
Energy: 1.0154583041839358
Energy: 1.4831239242819843
Energy: 1.0154583041839358
Energy: 1.4831239242815781
Energy: 1.0128510451014032
Energy: 0.9768676281925389
Energy: 1.0128510451022157
Energy: 0.9768676281917266
Energy: 1.0128510451018096
Energy: 0.9768676281925389
Energy: 1.1237296685991587
Energy: 1.0925206722768583
Energy: 1.123729668599971
Energy: 1.0925206722764522
Energy: 1.1237296685995648
Energy: 1.0925206722764522

minimum gb energy = 0.9544142007609252 eV
minimum distance =  2.34996768910672 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.6274037311244133
Energy: 0.6356304509123099
Energy: 0.6274037311244133
Energy: 0.6356304509123099
Energy: 0.6274037311244133
Energy: 0.6356304509123099
Energy: 0.7307778108282001
Energy: 1.2604377262263864
Energy: 0.7307778108291247
Energy: 1.2604377262263864
Energy: 0.7307778108282001
Energy: 1.2604377262254618
Energy: 0.6702903957938358
Energy: 0.7128909116954985
Energy: 0.6702903957938358
Energy: 0.7128909116945739
Energy: 0.6702903957938358
Energy: 0.7128909116954985
Energy: 0.6375832752460013
Energy: 0.6273644296563509
Energy: 0.6375832752450769
Energy: 0.6273644296581999
Energy: 0.6375832752450769
Energy: 0.6273644296563509
Energy: 0.7305622206431007
Energy: 0.7344124137387489
Energy: 0.7305622206431007
Energy: 0.7344124137387489
Energy: 0.7305622206440252
Energy: 0.7344124137387489
Energy: 0.6275244968301052
Energy: 0.671595708188744
Energy: 0.6275244968301052
Energy: 0.671595708188744
Energy: 0.6275244968301052
Energy: 0.671595708188744
Energy: 0.6275257959751133
Energy: 0.6716049893106262
Energy: 0.6275257959751133
Energy: 0.6716049893097016
Energy: 0.6275257959760379
Energy: 0.6716049893087771
Energy: 0.7304695463065684
Energy: 0.7345630603876423
Energy: 0.7304695463065684
Energy: 0.7345630603867178
Energy: 0.7304695463065684
Energy: 0.7345630603867178
Energy: 0.6375795599727038
Energy: 0.6272859757268346
Energy: 0.6375795599736283
Energy: 0.6272859757249856
Energy: 0.6375795599717792
Energy: 0.6272859757268346
Energy: 0.6702427786605055
Energy: 0.7128863637906357
Energy: 0.6702427786605055
Energy: 0.7128863637915602
Energy: 0.6702427786605055
Energy: 0.7128863637915602
Energy: 0.7307743523359641
Energy: 1.260466781752754
Energy: 0.7307743523359641
Energy: 1.2604667817536783
Energy: 0.7307743523359641
Energy: 1.2604667817518291
Energy: 0.6274037311244133
Energy: 0.6356304509123099
Energy: 0.6274037311244133
Energy: 0.6356304509123099
Energy: 0.6274037311244133
Energy: 0.6356304509123099
Energy: 0.7307778108291247
Energy: 1.2604377262273108
Energy: 0.7307778108291247
Energy: 1.2604377262254618
Energy: 0.7307778108291247
Energy: 1.2604377262263864
Energy: 0.6702903957947605
Energy: 0.7128909116936494
Energy: 0.6702903957938358
Energy: 0.7128909116936494
Energy: 0.6702903957938358
Energy: 0.7128909116945739
Energy: 0.6375832752450769
Energy: 0.6273644296554263
Energy: 0.6375832752450769
Energy: 0.6273644296545018
Energy: 0.6375832752450769
Energy: 0.6273644296572753
Energy: 0.7305622206431007
Energy: 0.7344124137378243
Energy: 0.7305622206440252
Energy: 0.7344124137387489
Energy: 0.7305622206431007
Energy: 0.7344124137387489
Energy: 0.6275244968301052
Energy: 0.6715957081896685
Energy: 0.6275244968301052
Energy: 0.671595708188744
Energy: 0.6275244968301052
Energy: 0.6715957081896685
Energy: 0.6275257959751133
Energy: 0.6716049893097016
Energy: 0.6275257959751133
Energy: 0.6716049893097016
Energy: 0.6275257959760379
Energy: 0.6716049893097016
Energy: 0.7304695463065684
Energy: 0.7345630603876423
Energy: 0.7304695463065684
Energy: 0.7345630603876423
Energy: 0.7304695463056439
Energy: 0.7345630603867178

minimum gb energy = 0.6272859757249856 eV
minimum distance =  2.43947432211851 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.0901663017900214
Energy: 1.0685882606290005
Energy: 1.0901663017906984
Energy: 1.0685882606290005
Energy: 1.0901663017900214
Energy: 1.0685882606290005
Energy: 1.1268288209991753
Energy: 1.0377766911491295
Energy: 1.1268288209991753
Energy: 1.0377766911484523
Energy: 1.1268288209998525
Energy: 1.0377766911484523
Energy: 1.1798136470591294
Energy: 1.2886313685359276
Energy: 1.1798136470591294
Energy: 1.2886313685366049
Energy: 1.1798136470591294
Energy: 1.2886313685359276
Energy: 1.2360113079933583
Energy: 0.9037806645176468
Energy: 1.2360113079940356
Energy: 0.9037806645169695
Energy: 1.2360113079940356
Energy: 0.9037806645169695
Energy: 1.0346058651961911
Energy: 0.8791919886209867
Energy: 1.0346058651948367
Energy: 0.8791919886216639
Energy: 1.0346058651961911
Energy: 0.8791919886209867
Energy: 1.010346444018726
Energy: 1.1495630716685314
Energy: 1.0103464440173717
Energy: 1.1495630716685314
Energy: 1.010346444020758
Energy: 1.1495630716685314
Energy: 0.8928685168886799
Energy: 1.3017905328322423
Energy: 0.8928685168880025
Energy: 1.301790532831565
Energy: 0.8928685168880025
Energy: 1.3017905328308879
Energy: 1.1303790058610652
Energy: 0.855813996900095
Energy: 1.1303790058617427
Energy: 0.855813996900095
Energy: 1.1303790058610652
Energy: 0.855813996900095
Energy: 1.051149990654447
Energy: 0.8740797348431899
Energy: 1.051149990654447
Energy: 0.8740797348431899
Energy: 1.0511499906551245
Energy: 0.8740797348431899
Energy: 0.8623543285674415
Energy: 1.3414779822684801
Energy: 0.8623543285674415
Energy: 1.3414779822684801
Energy: 0.8623543285674415
Energy: 1.3414779822684801
Energy: 1.1259744640656988
Energy: 1.243091925525373
Energy: 1.1259744640663762
Energy: 1.2430919255267274
Energy: 1.1259744640663762
Energy: 1.243091925525373
Energy: 1.0360227608669808
Energy: 0.8736037846602991
Energy: 1.0360227608663037
Energy: 0.8736037846609763
Energy: 1.0360227608669808
Energy: 0.8736037846602991
Energy: 1.0554396849879648
Energy: 0.9216955070403814
Energy: 1.0554396849879648
Energy: 0.9216955070397042
Energy: 1.0554396849872876
Energy: 0.9216955070390269
Energy: 1.1627985206181786
Energy: 1.2485308276239677
Energy: 1.1627985206181786
Energy: 1.2485308276232903
Energy: 1.1627985206181786
Energy: 1.2485308276232903
Energy: 1.1289568995703398
Energy: 1.0765651408687733
Energy: 1.128956899571017
Energy: 1.0765651408694505
Energy: 1.1289568995703398
Energy: 1.0765651408687733
Energy: 0.9471080502946256
Energy: 1.064563854691531
Energy: 0.9471080502939485
Energy: 1.0645638546908538
Energy: 0.9471080502953029
Energy: 1.0645638546922083
Energy: 0.965260312462831
Energy: 1.029924036138406
Energy: 0.9652603124607992
Energy: 1.029924036138406
Energy: 0.9652603124607992
Energy: 1.029924036138406
Energy: 1.4175082710694287
Energy: 1.248878997149745
Energy: 1.4175082710694287
Energy: 1.2488789971504222
Energy: 1.4175082710701057
Energy: 1.2488789971504222
Energy: 1.2338970787912489
Energy: 0.9027255920463849
Energy: 1.2338970787886014
Energy: 0.9027255920457076
Energy: 1.233897078791926
Energy: 0.9027255920463849
Energy: 1.0361054886864038
Energy: 0.9691398532775612
Energy: 1.0361054886864038
Energy: 0.9691398532782386
Energy: 1.0361054886864038
Energy: 0.9691398532775612
Energy: 0.858441198844911
Energy: 1.1294144609725791
Energy: 0.858441198844911
Energy: 1.1294144609725791
Energy: 0.858441198844911
Energy: 1.129414460971902
Energy: 0.9144330261240465
Energy: 1.0551110356901208
Energy: 0.9144330261172742
Energy: 1.055111035690798
Energy: 0.9144330261233693
Energy: 1.055111035690798
Energy: 1.1521145952333436
Energy: 0.9862574254212509
Energy: 1.1521145952326663
Energy: 0.9862574254212509
Energy: 1.1521145952333436
Energy: 0.9862574254205737
Energy: 1.0501284398417572
Energy: 0.9610359523533573
Energy: 1.0501284398417572
Energy: 0.9610359523533573
Energy: 1.0501284398417572
Energy: 0.9610359523533573
Energy: 0.8583162708440808
Energy: 1.345723453163754
Energy: 0.8583162708440808
Energy: 1.3457234531651086
Energy: 0.8583162708440808
Energy: 1.3457234531644313
Energy: 1.536604776507611
Energy: 1.4195811531659759
Energy: 1.5366047765069337
Energy: 1.4195811531659759
Energy: 1.536604776507611
Energy: 1.4195811531659759

minimum gb energy = 0.855813996900095 eV
minimum distance =  2.32051878110983 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.2487297564031108
Energy: 0.973425145158628
Energy: 1.2487297564031108
Energy: 0.9734251451591616
Energy: 1.2487297564031108
Energy: 0.973425145158628
Energy: 1.297931153214622
Energy: 1.2049213187134977
Energy: 1.2979311532140885
Energy: 1.2049213187140317
Energy: 1.297931153214622
Energy: 1.2049213187140317
Energy: 1.3833110454866828
Energy: 1.7154431844524387
Energy: 1.3833110454856152
Energy: 1.7154431844524387
Energy: 1.3833110454861488
Energy: 1.7154431844524387
Energy: 1.109728157025999
Energy: 0.9232546603970978
Energy: 1.109728157025999
Energy: 0.9232546603970978
Energy: 1.109728157025465
Energy: 0.9232546603970978
Energy: 0.8995176046500244
Energy: 0.9634605700510548
Energy: 0.8995176046500244
Energy: 0.9634605700505211
Energy: 0.8995176046500244
Energy: 0.9634605700505211
Energy: 1.2597749269335974
Energy: 1.4794169892964535
Energy: 1.25977492693253
Energy: 1.4794169892964535
Energy: 1.2597749269330638
Energy: 1.4794169892964535
Energy: 0.933697445939087
Energy: 1.3155108479034634
Energy: 0.933697445939087
Energy: 1.315510847904531
Energy: 0.9336974459385533
Energy: 1.315510847901862
Energy: 0.9109210998271
Energy: 0.9230906944917885
Energy: 0.9109210998271
Energy: 0.9230906944912548
Energy: 0.9109210998271
Energy: 0.9230906944912548
Energy: 0.9117784883054061
Energy: 0.9463376519341604
Energy: 0.9117784883054061
Energy: 0.9463376519341604
Energy: 0.9117784883054061
Energy: 0.9463376519346941
Energy: 0.9944608071627229
Energy: 1.4635277289623732
Energy: 0.9944608071632566
Energy: 1.4635277289618394
Energy: 0.9944608071627229
Energy: 1.4635277289618394
Energy: 0.9966488197524928
Energy: 1.4806531010984565
Energy: 0.996648819751959
Energy: 1.4806531010984565
Energy: 0.996648819751959
Energy: 1.4806531010984565
Energy: 0.9054820526295672
Energy: 1.2011748467592749
Energy: 0.9054820526301012
Energy: 1.2011748467598085
Energy: 0.9054820526295672
Energy: 1.0746647496481339
Energy: 0.9122486600221674
Energy: 0.9492865377297
Energy: 0.9122486600221674
Energy: 0.9492865377297
Energy: 0.9122486600221674
Energy: 0.9492865377297
Energy: 0.8887416474326735
Energy: 1.531634158519375
Energy: 0.8887416474326735
Energy: 1.531634158518841
Energy: 0.8887416474326735
Energy: 1.531634158518841
Energy: 0.9955841784017174
Energy: 1.337293658116066
Energy: 0.9955841784011837
Energy: 1.337293658116066
Energy: 0.9955841784017174
Energy: 1.337293658116066
Energy: 0.8898169749241817
Energy: 1.1232115988355558
Energy: 0.8898169749252494
Energy: 1.1232115988355558
Energy: 0.8898169749241817
Energy: 1.1232115988355558
Energy: 0.9246845248067558
Energy: 0.9494053054418491
Energy: 0.9246845248072897
Energy: 0.9494053054418491
Energy: 0.9246845248072897
Energy: 0.9494053054418491
Energy: 1.1870285522057766
Energy: 1.729099881229721
Energy: 1.1870285522052428
Energy: 1.7290998812291873
Energy: 1.1870285522057766
Energy: 1.729099881229721
Energy: 1.2026450874290768
Energy: 1.3770714091438299
Energy: 1.202645087428543
Energy: 1.3770714091438299
Energy: 1.2026450874290768
Energy: 1.3770714091443637
Energy: 0.9949663990331243
Energy: 1.220244362255903
Energy: 0.9949663990347257
Energy: 1.2202443622564367
Energy: 0.9949663990336582
Energy: 1.220244362255903
Energy: 0.9258363537682179
Energy: 1.2044579100138026
Energy: 0.9258363537682179
Energy: 1.2044579100138026
Energy: 0.9258363537682179
Energy: 1.2044579100138026
Energy: 1.3481801191744518
Energy: 1.6531542907302903
Energy: 1.3481801191744518
Energy: 1.653154290730824
Energy: 1.3481801191749856
Energy: 1.6531542907302903
Energy: 1.1092642552022611
Energy: 0.925155755054078
Energy: 1.1092642552022611
Energy: 0.925155755053544
Energy: 1.1092642552022611
Energy: 0.925155755053544
Energy: 0.9144669693994146
Energy: 1.3335089133361497
Energy: 0.914466969398881
Energy: 1.3335089133361497
Energy: 0.9144669693994146
Energy: 1.3335089133361497
Energy: 0.8865488804838324
Energy: 1.3346184997156472
Energy: 0.8865488804843662
Energy: 1.3346184997151134
Energy: 0.8865488804838324
Energy: 1.3346184997156472
Energy: 0.9260895751060818
Energy: 0.9320649483093146
Energy: 0.9260895751060818
Energy: 0.9320649483098487
Energy: 0.9260895751060818
Energy: 0.9320649483093146
Energy: 0.9099887680690034
Energy: 0.9249813866258649
Energy: 0.9099887680684696
Energy: 0.9249813866253311
Energy: 0.9099887680690034
Energy: 0.9249813866258649
Energy: 0.9113714166568363
Energy: 1.2095715037748591
Energy: 0.9113714166568363
Energy: 1.2095715037748591
Energy: 0.9113714166573703
Energy: 1.2095715037748591
Energy: 0.9947821761899139
Energy: 1.3432780959546176
Energy: 0.9947821761883126
Energy: 1.3432780959546176
Energy: 0.9947821761909816
Energy: 1.3432780959546176
Energy: 1.3726502639847251
Energy: 0.88262097834023
Energy: 1.3726502639847251
Energy: 0.8826209783396962
Energy: 1.3726502639847251
Energy: 0.8826209783396962
Energy: 0.9043937284277175
Energy: 1.200885047378683
Energy: 0.9043937284277175
Energy: 1.200885047378683
Energy: 0.9043937284277175
Energy: 1.200885047378683
Energy: 0.9103694165745236
Energy: 0.9634807773688456
Energy: 0.9103694165745236
Energy: 0.9634807773683118
Energy: 0.9103694165745236
Energy: 0.9634807773688456
Energy: 0.8864648766839989
Energy: 1.142924523956904
Energy: 0.8864648766839989
Energy: 1.142924523956904
Energy: 0.8864648766834652
Energy: 1.142924523956904

minimum gb energy = 0.8826209783396962 eV
minimum distance =  2.36550212248189 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.0329374634664508
Energy: 0.9759663063411742
Energy: 1.0329374634664508
Energy: 0.9759663063411742
Energy: 1.0329374634668256
Energy: 0.9759663063411742
Energy: 1.248286970555891
Energy: 0.9113895662031309
Energy: 1.248286970555891
Energy: 0.9113895662035055
Energy: 1.2482869705562658
Energy: 0.9113895662031309
Energy: 0.9996990202060109
Energy: 1.4821559965132605
Energy: 0.999699020204887
Energy: 1.4821559965132605
Energy: 0.9996990202060109
Energy: 1.4821559965132605
Energy: 1.1906072825821725
Energy: 0.9247694852994962
Energy: 1.1906072825821725
Energy: 0.9247694852991214
Energy: 1.190607282582547
Energy: 0.9247694852994962
Energy: 0.9718533723893732
Energy: 1.3510514274140046
Energy: 0.9718533723904971
Energy: 1.3510514274143794
Energy: 0.9718533723904971
Energy: 1.35105142741363
Energy: 1.4150394675772007
Energy: 0.9752721640156523
Energy: 1.4150394675764515
Energy: 0.9752721640156523
Energy: 1.4150394675775755
Energy: 0.9752721640156523
Energy: 0.962855609436879
Energy: 1.0443019464633976
Energy: 0.9628556094376283
Energy: 1.0443019464633976
Energy: 0.9628556094376283
Energy: 1.044301946463772
Energy: 1.0194927796927844
Energy: 1.0318418039771258
Energy: 1.0194927796935338
Energy: 1.0318418039775004
Energy: 1.0194927796931592
Energy: 1.0318418039771258
Energy: 1.364629270874923
Energy: 0.9829615533895737
Energy: 1.3646292708741738
Energy: 0.9829615533899483
Energy: 1.364629270874923
Energy: 0.9829615533899483
Energy: 1.4649768071901994
Energy: 0.9441671376059403
Energy: 1.4649768071909488
Energy: 0.9441671376059403
Energy: 1.464976807190574
Energy: 0.9441671376059403
Energy: 0.9976800333216516
Energy: 0.9995822479834761
Energy: 0.9976800333209024
Energy: 0.9995822479831015
Energy: 0.997680033321277
Energy: 0.9995822479834761
Energy: 1.8010148601547165
Energy: 0.9252223155522475
Energy: 1.80101486015584
Energy: 0.9252223155522475
Energy: 1.8010148601554656
Energy: 0.9252223155526224
Energy: 0.9816755549457165
Energy: 1.3657827042056374
Energy: 0.9816755549449674
Energy: 1.365782704205297
Energy: 0.981675554945342
Energy: 1.3657827042045476
Energy: 1.0264424488700883
Energy: 0.9974247220532719
Energy: 1.026442448868964
Energy: 0.9974247220528973
Energy: 1.0264424488697133
Energy: 0.9974247220528973
Energy: 1.0211827469176442
Energy: 1.176548349561117
Energy: 1.0211827469176442
Energy: 1.1765483495607425
Energy: 1.0211827469180188
Energy: 1.176548349560368
Energy: 0.9750181160855689
Energy: 1.4162833365014853
Energy: 0.9750181160863179
Energy: 1.4162833365014853
Energy: 0.9750181160859434
Energy: 1.4162833365011107
Energy: 1.804130006995187
Energy: 0.9714377897089458
Energy: 1.8041300069955615
Energy: 0.9714377897096951
Energy: 1.8041300069948125
Energy: 0.9714377897085713
Energy: 0.9232610329296761
Energy: 1.1877145405914817
Energy: 0.9232610329304253
Energy: 1.1877145405918563
Energy: 0.9232610329296761
Energy: 1.1877145405914817
Energy: 1.077402031294527
Energy: 0.9751161707231322
Energy: 1.0774020312941521
Energy: 0.9751161707238813
Energy: 1.0774020312937775
Energy: 0.975116170724256
Energy: 1.5774401499298587
Energy: 0.976848773015413
Energy: 1.5774401499294841
Energy: 0.9768487730157875
Energy: 1.5774401499298587
Energy: 0.976848773015413
Energy: 0.9695550068556061
Energy: 1.0294043186035773
Energy: 0.9695550068552315
Energy: 1.0294043186035773
Energy: 0.9695550068559806
Energy: 1.0294043186035773
Energy: 0.9096697072181652
Energy: 1.2445364655633462
Energy: 0.9096697072181652
Energy: 1.2445364655637208
Energy: 0.9096697072181652
Energy: 1.2445364655633462
Energy: 1.4331626784672904
Energy: 1.3409305563559601
Energy: 1.433162678467665
Energy: 1.3409305563559601
Energy: 1.4331626784672904
Energy: 1.3409305563559601
Energy: 0.9654225533661187
Energy: 1.186299049537982
Energy: 0.9654225533649949
Energy: 1.1862990495376073
Energy: 0.9654225533653696
Energy: 1.1862990495383565
Energy: 1.3544524413461163
Energy: 0.9717313539200119
Energy: 1.354452441345742
Energy: 0.9717313539200119
Energy: 1.3544524413464913
Energy: 0.9717313539200119
Energy: 0.9566444701621245
Energy: 1.0233366787911378
Energy: 0.9566444701621245
Energy: 1.0233366787892988
Energy: 0.9566444701621245
Energy: 1.0233366787903886
Energy: 1.038784160254383
Energy: 0.962305646814173
Energy: 1.0387841602540082
Energy: 0.9623056468149221
Energy: 1.0387841602540082
Energy: 0.962305646814173
Energy: 1.0241916475579724
Energy: 0.9462280177949419
Energy: 1.0241916475583472
Energy: 0.9462280177971898
Energy: 1.0241916475583472
Energy: 0.9462280177956912
Energy: 0.9994543705514116
Energy: 1.5805916207884743
Energy: 0.9994543705517862
Energy: 1.5805916207881
Energy: 0.9994543705517862
Energy: 1.5805916207881
Energy: 0.9287454612835461
Energy: 1.4652182107527778
Energy: 0.9287454612835461
Energy: 1.4652182107524034
Energy: 0.9287454612839208
Energy: 1.4652182107524034
Energy: 1.1859067219541097
Energy: 0.9242153122961336
Energy: 1.1859067219541097
Energy: 0.9242153122957589
Energy: 1.185906721954484
Energy: 0.9242153122961336
Energy: 0.9653999073385464
Energy: 1.8011393644158895
Energy: 0.9653999073392956
Energy: 1.801139364416264
Energy: 0.9653999073385464
Energy: 1.8011393644158895
Energy: 1.5773135054279424
Energy: 0.981629459870165
Energy: 1.5773135054275678
Energy: 0.9816294598705395
Energy: 1.5773135054290663
Energy: 0.9816294598705395
Energy: 0.9961566304215934
Energy: 1.0230996742344758
Energy: 0.9961566304219682
Energy: 1.023099674234101
Energy: 0.9961566304227173
Energy: 1.0230996742344758
Energy: 0.9961980707431713
Energy: 1.0229260867878653
Energy: 0.9961980707446698
Energy: 1.0229260867882402
Energy: 0.9961980707439206
Energy: 1.0229260867878653
Energy: 1.5772444260789116
Energy: 0.9815296414733248
Energy: 1.577244426079286
Energy: 0.98152964147295
Energy: 1.5772444260789116
Energy: 0.98152964147295
Energy: 0.9653800475665898
Energy: 1.800909239892376
Energy: 0.9653800475673391
Energy: 1.800909239892376
Energy: 0.9653800475673391
Energy: 1.800909239892376
Energy: 1.1861779919513435
Energy: 0.9242035469351272
Energy: 1.1861779919505941
Energy: 0.9242035469351272
Energy: 1.1861779919505941
Energy: 0.924203546935502
Energy: 0.9289102495500643
Energy: 1.4651119191301234
Energy: 0.9289102495508136
Energy: 1.4651119191301234
Energy: 0.9289102495508136
Energy: 1.465111919132371
Energy: 0.9994923269481374
Energy: 1.5802441543651042
Energy: 0.9994923269492612
Energy: 1.5802441543647294
Energy: 0.999492326949636
Energy: 1.5802441543647294
Energy: 1.0241959010479513
Energy: 0.9461509171040828
Energy: 1.024195901048326
Energy: 0.9461509171044575
Energy: 1.024195901048326
Energy: 0.9461509171044575
Energy: 1.0381403086868128
Energy: 0.9622204865864531
Energy: 1.0381403086860634
Energy: 0.962220486585704
Energy: 1.038140308684565
Energy: 0.9622204865860785
Energy: 0.9566705942296612
Energy: 1.0231611385379338
Energy: 0.9566705942292866
Energy: 1.023161138537559
Energy: 0.9566705942296612
Energy: 1.0231611385379338
Energy: 1.3544612985079498
Energy: 0.9716928626063059
Energy: 1.3544612985083246
Energy: 0.9716928626059315
Energy: 1.3544612985075755
Energy: 0.9716928626063059
Energy: 0.9654109175320013
Energy: 1.1860715154610384
Energy: 0.9654109175316264
Energy: 1.1860715154614132
Energy: 0.9654109175316264
Energy: 1.1860715154614132
Energy: 1.4336276844007547
Energy: 1.3407886007498588
Energy: 1.4336276844018787
Energy: 1.340788600749484
Energy: 1.4336276844018787
Energy: 1.3407886007498588
Energy: 0.9097467174594248
Energy: 1.244422600445286
Energy: 0.9097467174597994
Energy: 1.2444226004449117
Energy: 0.9097467174594248
Energy: 1.2444226004449117

minimum gb energy = 0.9096697072181652 eV
minimum distance =  2.37032854257495 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.0117776161271488
Energy: 0.9365487762624635
Energy: 1.0117776161271488
Energy: 0.9365487762622359
Energy: 1.0117776161276608
Energy: 0.9365487762622359
Energy: 0.9955544273673156
Energy: 0.920830003678226
Energy: 0.9955544273673156
Energy: 0.920830003678226
Energy: 0.9955544273673156
Energy: 0.920830003678226
Energy: 1.6183416367777697
Energy: 1.161193842891187
Energy: 1.6183370907840782
Energy: 1.161193842891187
Energy: 0.9133187341994542
Energy: 1.161193842891187
Energy: 0.9955558853579385
Energy: 0.9209628696205332
Energy: 0.9955558853581944
Energy: 0.9209628696205332
Energy: 0.9955558853581944
Energy: 0.9209628696202771
Energy: 1.0117776161271488
Energy: 0.9365487762624635
Energy: 1.0117776161274046
Energy: 0.9365487762627196
Energy: 1.0117776161268928
Energy: 0.9365487762627196
Energy: 0.9955544273678276
Energy: 0.9208300036774578
Energy: 0.9955544273678276
Energy: 0.9208300036774578
Energy: 0.9955544273678276
Energy: 0.9208300036774578
Energy: 0.9343712317593004
Energy: 1.161193842891443
Energy: 0.9343711404911293
Energy: 1.161193842891187
Energy: 0.9343705543617274
Energy: 1.161193842891443

minimum gb energy = 0.9133187341994542 eV
minimum distance =  2.37155728802656 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.629198467536193
Energy: 1.12709443028849
Energy: 1.580709705151625
Energy: 1.1270944302922068
Energy: 1.6291984675358833
Energy: 1.1270944302922068
Energy: 1.2528921204526846
Energy: 1.0601663539647355
Energy: 1.2528921204526846
Energy: 1.060166353965045
Energy: 1.2528921204520034
Energy: 1.060166353965045
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Energy: 1.0726500982358234
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Energy: 1.072650098234089
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Energy: 1.0777239794135565
Energy: 1.3746848833805425
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Energy: 1.2887253486769246
Energy: 1.235752234938416
Energy: 1.28872534867519
Energy: 1.2357522349363717
Energy: 1.2887253486765526
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Energy: 1.0833440770192844
Energy: 1.0907955078756604
Energy: 1.0833440770189746
Energy: 1.0907955078736162
Energy: 1.0833440770179215
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Energy: 1.0529290407764766
Energy: 1.440870138792147
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Energy: 1.3021384666843783
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Energy: 1.30213846668475
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Energy: 1.1925256477759747
Energy: 1.1932734941992231
Energy: 1.192525647775603
Energy: 1.1932734942009575
Energy: 1.1925256477759747
Energy: 1.0726560937004535
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Energy: 1.072656093703179
Energy: 1.1492209249398888
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Energy: 1.2036548359971722
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Energy: 1.2036676571237495
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Energy: 1.0960766615660624
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Energy: 1.1189624126025417
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Energy: 1.178996015484286
Energy: 1.1189624126008075
Energy: 1.0791616552028267
Energy: 1.2355031810332657
Energy: 1.0792066215172642
Energy: 1.2355031810309114
Energy: 1.0791616552021452
Energy: 1.2355031810315928
Energy: 1.1024405102960186
Energy: 1.1046123578653024
Energy: 1.1024405102963284
Energy: 1.1046123578632583
Energy: 1.1024405102973813
Energy: 1.1046123578639397
Energy: 1.1694879414849646
Energy: 1.0126521506460915
Energy: 1.1694879414876285
Energy: 1.0126521506494988
Energy: 1.1694879414856463
Energy: 1.0126521506494988
Energy: 1.1925219479690286
Energy: 1.0527840065941445
Energy: 1.1925219479659932
Energy: 1.0527840065961884
Energy: 1.1925219479690286
Energy: 1.0527840065955072
Energy: 1.2141082398910603
Energy: 1.132136180291921
Energy: 1.1499051295041838
Energy: 1.1321361802912397
Energy: 1.2141082398883345
Energy: 1.132136180291921
Energy: 1.2609914294560158
Energy: 1.073323857902847
Energy: 1.1967955281902294
Energy: 1.0733238579042101
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Energy: 1.0733238579035287
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Energy: 1.0522757328482315
Energy: 1.237160673081874
Energy: 1.0522757328485413
Energy: 1.2371606730845999
Energy: 1.052275732848913
Energy: 1.144710950711445
Energy: 1.1324933622292377
Energy: 1.1447109507141706
Energy: 1.1324933615321493
Energy: 1.1447109507141706
Energy: 1.1324933613628487
Energy: 1.241816541359047
Energy: 1.1861729511180992
Energy: 1.241816541358056
Energy: 1.1861729511180992
Energy: 1.241816541359047
Energy: 1.1861729511180992
Energy: 1.1044735291209569
Energy: 1.1997352325178579
Energy: 1.1044735291209569
Energy: 1.1997352325151323
Energy: 1.1044735291202754
Energy: 1.1997352325151323
Energy: 1.2313451986726018
Energy: 1.118438729958708
Energy: 1.23100541709245
Energy: 1.1184387299593894
Energy: 1.2313451986719206
Energy: 1.1184387299593894
Energy: 1.0946561690222152
Energy: 1.2877175724340173
Energy: 1.0948448286615768
Energy: 1.2877175724285659
Energy: 1.0946561690256222
Energy: 1.2877175724350705
Energy: 1.3875212428951662
Energy: 1.1232065894870424
Energy: 1.3875212428944848
Energy: 1.1232065894874141
Energy: 1.3875212428961574
Energy: 1.1232065894870424
Energy: 1.043945241461481
Energy: 1.2027743686867753
Energy: 1.0439452414617907
Energy: 1.2027743686891295
Energy: 1.0439452414611092
Energy: 1.2027743686891295
Energy: 1.11334553278759
Energy: 1.1184561491850114
Energy: 1.113345532784183
Energy: 1.1184561491846399
Energy: 1.1133455327845547
Energy: 1.1184561491846399
Energy: 1.0728832893943079
Energy: 1.1475836422412709
Energy: 1.0728833025718305
Energy: 1.1475836422405894
Energy: 1.0728832893926352
Energy: 1.1475836422405894
Energy: 1.2864044610722327
Energy: 1.0826973877610084
Energy: 1.2864044610735956
Energy: 1.0826973877640438
Energy: 1.2864044610753302
Energy: 1.0826973877640438
Energy: 1.1049774381574062
Energy: 1.3302038153610747
Energy: 1.104977438157778
Energy: 1.3302038153624376
Energy: 1.104977438157778
Energy: 1.330203815362809
Energy: 1.0878520853198845
Energy: 1.0524314433398863
Energy: 1.0878520853198845
Energy: 1.0524314433371607
Energy: 1.0878520853232916
Energy: 1.052431443336789
Energy: 1.0834446081703082
Energy: 1.11530844379898
Energy: 1.0834446081699984
Energy: 1.1153084005905465
Energy: 1.0834446081679543
Energy: 1.1153080090574972
Energy: 1.3335393011219068
Energy: 1.054088898848022
Energy: 1.3335393011239507
Energy: 1.0540888988473405
Energy: 1.3335393011225882
Energy: 1.054088898848022
Energy: 1.223429589725166
Energy: 1.24829745599402
Energy: 1.2234295313302728
Energy: 1.248297455990985
Energy: 1.2234295897248562
Energy: 1.2482974559903035
Energy: 1.0995541070382204
Energy: 1.112296766233667
Energy: 1.0995541070351849
Energy: 1.1122967662340386
Energy: 1.0995541070341317
Energy: 1.1122967662354013
Energy: 1.0728908853617334
Energy: 1.2273100007719162
Energy: 1.0728908853599992
Energy: 1.227309998943121
Energy: 1.0728908853640875
Energy: 1.2273100001313237
Energy: 1.2357120638339807
Energy: 1.1878028308135262
Energy: 1.2357120638343524
Energy: 1.1878028308132162
Energy: 1.2357120638350338
Energy: 1.1878028308132162
Energy: 1.1532741231588188
Energy: 1.1266175091781048
Energy: 1.1532866679384524
Energy: 1.1266175091760606
Energy: 1.1532741231598715
Energy: 1.1266175091764323

minimum gb energy = 1.0126521506460915 eV
minimum distance =  2.33596624406355 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.5118211091827112
Energy: 1.0651859225580211
Energy: 1.4433734175288777
Energy: 1.0651859225584885
Energy: 1.5118211091827112
Energy: 1.0651859225570859
Energy: 1.2034201214627396
Energy: 1.1945354825349317
Energy: 1.2034201214636746
Energy: 1.1945354825349317
Energy: 1.2034201214627396
Energy: 1.194535482534464
Energy: 1.26570670421268
Energy: 1.1474992972445035
Energy: 1.2657903896576832
Energy: 1.1474992972445035
Energy: 1.265706704208939
Energy: 1.1474992972454385
Energy: 1.1013850793833833
Energy: 1.2283502202359224
Energy: 1.1013850793829156
Energy: 1.22835022023639
Energy: 1.1013850793833833
Energy: 1.2283502202373253
Energy: 1.3563964188867406
Energy: 1.131048163309884
Energy: 1.3563964188858053
Energy: 1.131048163309884
Energy: 1.3563964188867406
Energy: 1.131048163312222
Energy: 1.023365686628646
Energy: 0.9507342103517099
Energy: 1.0233656866291136
Energy: 0.9507342103517099
Energy: 1.0233656866272431
Energy: 0.9507342103521775
Energy: 0.9252543941676395
Energy: 0.9535206152378353
Energy: 0.9252543941676395
Energy: 0.9535206152378353
Energy: 0.9252543941676395
Energy: 0.9535206152383028
Energy: 1.185692151319336
Energy: 1.200437692676235
Energy: 1.1856791133693525
Energy: 1.2004376926748324
Energy: 1.185692151319336
Energy: 1.200437692676235
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Energy: 1.091049542086181
Energy: 1.2182104094361281
Energy: 1.2590976566096388
Energy: 1.2813292507114826
Energy: 1.2590976566096388
Energy: 1.2813292507114826
Energy: 1.2590976566101064
Energy: 1.2813292507128855
Energy: 1.04174451031494
Energy: 1.013485048892305
Energy: 1.0417445103140048
Energy: 1.013485048892305
Energy: 1.0417445103154077
Energy: 1.0134850488904346
Energy: 0.951143319130132
Energy: 1.021059641331685
Energy: 0.9511433191287293
Energy: 1.021059641331685
Energy: 0.951143319130132
Energy: 1.0210596413302824
Energy: 1.3015109951980548
Energy: 1.2007341875577724
Energy: 1.3015109951971195
Energy: 1.2007341875577724
Energy: 1.3015109951980548
Energy: 1.200734187559175
Energy: 1.2224797214333434
Energy: 1.1475175299488505
Energy: 1.2224797214319405
Energy: 1.1475175299488505
Energy: 1.2224797214328758
Energy: 1.1475175299507208
Energy: 1.1467527358068033
Energy: 1.148742561043466
Energy: 1.1467527358077385
Energy: 1.1487425610439337
Energy: 1.1467527358068033
Energy: 1.148742561044401
Energy: 1.1859218862918806
Energy: 1.1172251763388168
Energy: 1.1859218862942185
Energy: 1.1172251763388168
Energy: 1.1859218862918806
Energy: 1.1172251763378818
Energy: 1.2734646683941813
Energy: 0.952122863053689
Energy: 1.2734646683951165
Energy: 0.952122863053689
Energy: 1.273464668394649
Energy: 0.952122863053689
Energy: 1.0046401079753875
Energy: 1.1868488230679155
Energy: 1.0045111521517285
Energy: 1.1868488230669803
Energy: 1.0046401079758551
Energy: 1.1868488230679155
Energy: 1.1502515954846997
Energy: 1.2005766688147483
Energy: 1.1502515954846997
Energy: 1.2005766688147483
Energy: 1.1502515954846997
Energy: 1.200576668814281
Energy: 1.228742970057979
Energy: 1.3363349021154782
Energy: 1.2287429700565764
Energy: 1.3363349021145432
Energy: 1.2287429700565764
Energy: 1.336334902113608
Energy: 1.2164726339751601
Energy: 1.1854541270215053
Energy: 1.2164726339742251
Energy: 1.1854541270215053
Energy: 1.2164726339746925
Energy: 1.1854541270224406
Energy: 1.0394677511627781
Energy: 1.0947150744385505
Energy: 0.9506074189051043
Energy: 1.0947150744385505
Energy: 1.039467751163246
Energy: 1.0947150744376155
Energy: 1.0393657185022698
Energy: 1.0103766231686757
Energy: 0.9506429085808342
Energy: 1.0103766231686757
Energy: 1.0393657185018021
Energy: 1.0103766231700788
Energy: 1.2925357886631323
Energy: 1.1975354511128993
Energy: 1.2925357886626647
Energy: 1.1975354511128993
Energy: 1.2925357886626647
Energy: 1.197535451113367
Energy: 1.2191290036355444
Energy: 1.0910728752268812
Energy: 1.2191290036355444
Energy: 1.0910728752268812
Energy: 1.2191290036350768
Energy: 1.091072875224543
Energy: 1.1473254682620917
Energy: 1.4478193536182185
Energy: 1.1473254682606888
Energy: 1.4478193536182185
Energy: 1.1473254682611564
Energy: 1.4478193536191537
Energy: 1.0043888303163553
Energy: 1.10091217794494
Energy: 1.004388830316823
Energy: 1.10091217794494
Energy: 1.004388830316823
Energy: 1.1009121779468105
Energy: 1.2244870744590581
Energy: 0.9520130499444934
Energy: 1.22448707445672
Energy: 0.9520130499444934
Energy: 1.2244870744571876
Energy: 0.9520130499444934
Energy: 1.2031317877605112
Energy: 1.2027386113970098
Energy: 1.2031371230509171
Energy: 1.2027386113970098
Energy: 1.2031317877605112
Energy: 1.2027386113970098
Energy: 1.146588810404569
Energy: 1.1446363286548091
Energy: 1.146588810404569
Energy: 1.1446363286548091
Energy: 1.1465888104041013
Energy: 1.1446363286524712
Energy: 1.2299369101298943
Energy: 1.1476290019556952
Energy: 1.229936910131297
Energy: 1.1476290019556952
Energy: 1.2299369101308293
Energy: 1.1476290019556952
Energy: 1.2157958732900094
Energy: 1.1872385926634383
Energy: 1.2157958732881389
Energy: 1.1872385926634383
Energy: 1.2157958732900094
Energy: 1.1872385926643736
Energy: 0.9509982983496353
Energy: 1.0222495354821568
Energy: 0.9509982983496353
Energy: 1.0222495354821568
Energy: 0.9509982983496353
Energy: 1.022249535479351
Energy: 0.9509805987368816
Energy: 0.9237454238364424
Energy: 0.950980598736414
Energy: 0.9237454238364424
Energy: 0.9509805987373493
Energy: 0.92374542383691
Energy: 1.239448243058379
Energy: 1.2812306000057063
Energy: 1.2394246547855419
Energy: 1.2812306000052387
Energy: 1.2394482430588467
Energy: 1.2812306000047708
Energy: 1.571844737917007
Energy: 1.2283763902048725
Energy: 1.5718447379188778
Energy: 1.2283763901814917
Energy: 1.571844737917007
Energy: 1.228376390152032
Energy: 1.2039421549512535
Energy: 1.1195533816111496
Energy: 1.2039421549503184
Energy: 1.1195533816111496
Energy: 1.2039421549512535
Energy: 1.1195533816092789
Energy: 1.0147744262664116
Energy: 0.9535169648522357
Energy: 1.0147744262664116
Energy: 0.9535169648527034
Energy: 1.0147744262664116
Energy: 0.9535169648541062

minimum gb energy = 0.9237454238364424 eV
minimum distance =  2.38840736572235 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.6289173043672174
Energy: 1.1101531726477807
Energy: 1.6289173043677918
Energy: 1.1101531726477807
Energy: 1.6289173043672174
Energy: 1.1101531726477807
Energy: 1.161116825769019
Energy: 1.0012552310923177
Energy: 1.1611168257684445
Energy: 1.0012552310923177
Energy: 1.161116825769019
Energy: 1.0012552310923177
Energy: 1.0336480359969125
Energy: 1.3302546756131257
Energy: 1.2670499205636083
Energy: 1.3302546756131257
Energy: 1.2670499205636083
Energy: 1.3302546756131257
Energy: 1.2171674288234995
Energy: 1.0817508115341907
Energy: 1.2171674288234995
Energy: 1.0817508115341907
Energy: 1.217167428824074
Energy: 1.0817508115341907
Energy: 1.3925114486651715
Energy: 1.251402112305598
Energy: 1.3925114486651715
Energy: 1.2514021123061723
Energy: 1.3925114486651715
Energy: 1.2514021123061723
Energy: 1.1188476329554897
Energy: 1.0393601784494548
Energy: 1.1188476329566384
Energy: 1.0393601784488804
Energy: 1.1188476329560642
Energy: 1.0393601784488804
Energy: 1.1277255795839023
Energy: 1.1953603834534021
Energy: 1.1277255795839023
Energy: 1.1953603834534021
Energy: 1.1277255795839023
Energy: 1.1953603834534021
Energy: 1.0348660391047158
Energy: 1.1467328943605108
Energy: 1.0348660391047158
Energy: 1.1467328943605108
Energy: 1.034866039104141
Energy: 1.1467328943616597
Energy: 1.4639150661562657
Energy: 0.9999018767946025
Energy: 1.4639150661556914
Energy: 0.9999018767946025
Energy: 1.4639150661562657
Energy: 0.9999018767946025
Energy: 1.0732427896977998
Energy: 1.2268804844224839
Energy: 1.0732427896977998
Energy: 1.2268804844207606
Energy: 1.0732427896977998
Energy: 1.2268804844224839
Energy: 1.1333638707809495
Energy: 1.1184593129710938
Energy: 1.1333638707809495
Energy: 1.1184593129710938
Energy: 1.1333638707809495
Energy: 1.1184593129710938
Energy: 1.034815895707603
Energy: 1.335570936301952
Energy: 1.034815895707603
Energy: 1.335570936301952
Energy: 1.034815895707603
Energy: 1.335570936301952
Energy: 1.306438211728352
Energy: 1.040202817210039
Energy: 1.3064382117289262
Energy: 1.0402028172094648
Energy: 1.3064382117289262
Energy: 1.0402028172094648
Energy: 0.9810227087095462
Energy: 1.211420135519978
Energy: 0.9810227087089719
Energy: 1.211420135519978
Energy: 0.9810227087089719
Energy: 1.211420135519978
Energy: 1.0024834246159897
Energy: 1.1932111136396475
Energy: 1.0024834246154155
Energy: 1.1932111136396475
Energy: 1.0024834246154155
Energy: 1.1932111136390728
Energy: 1.1065659443276368
Energy: 1.412321243132646
Energy: 1.106565944328211
Energy: 1.412321243132646
Energy: 1.106565944328211
Energy: 1.412321243132646
Energy: 1.192216247146147
Energy: 0.9748814379634327
Energy: 1.1922162471472957
Energy: 0.9748814379634327
Energy: 1.1922162471467213
Energy: 0.9748814379628583
Energy: 1.1952333863513218
Energy: 1.0951615007442577
Energy: 1.1952333863507474
Energy: 1.0951615007442577
Energy: 1.1952333863507474
Energy: 1.0951615007436835
Energy: 1.147202595024924
Energy: 1.1003381833139414
Energy: 1.147202595024924
Energy: 1.1003381833139414
Energy: 1.147202595024924
Energy: 1.1003381833139414
Energy: 1.1900370502482565
Energy: 1.4414348365650622
Energy: 1.1900370502471078
Energy: 1.4414348365650622
Energy: 1.1900370502476818
Energy: 1.4414348365650622
Energy: 1.1063636841379894
Energy: 1.057926380232688
Energy: 1.1063636841379894
Energy: 1.057926380232688
Energy: 1.1063636841385636
Energy: 1.057926380232688
Energy: 1.249134761953053
Energy: 1.1491876135683794
Energy: 1.249134761953053
Energy: 1.1491876135683794
Energy: 1.2491347619536275
Energy: 1.1491876135683794
Energy: 0.9812448401367856
Energy: 1.1564058628793206
Energy: 0.9812448401367856
Energy: 1.1564058628793206
Energy: 0.9812448401367856
Energy: 1.1564058628793206
Energy: 1.307090437191288
Energy: 1.0400536690043696
Energy: 1.3070904371907135
Energy: 1.0400536690043696
Energy: 1.307090437191288
Energy: 1.040053669004944
Energy: 1.0349533024261366
Energy: 1.09772193421803
Energy: 1.0349533024261366
Energy: 1.09772193421803
Energy: 1.0349533024261366
Energy: 1.09772193421803
Energy: 1.273545429623411
Energy: 1.1926615881554865
Energy: 1.273545429623411
Energy: 1.1926615881554865
Energy: 1.273545429623411
Energy: 1.192661588156061
Energy: 1.1352320377080476
Energy: 0.9750625849591933
Energy: 1.1352320377080476
Energy: 0.9750625849597675
Energy: 1.1352320377080476
Energy: 0.9750625849591933
Energy: 1.4660267386032413
Energy: 1.3749253460771576
Energy: 1.4660267386032413
Energy: 1.3749253460771576
Energy: 1.4660267386032413
Energy: 1.3749253460771576
Energy: 1.034914450347019
Energy: 1.1467929361883917
Energy: 1.034914450347019
Energy: 1.146792936188966
Energy: 1.034914450347019
Energy: 1.1467929361883917
Energy: 1.0852452015073926
Energy: 1.088115545344426
Energy: 1.0852452015079668
Energy: 1.0881155453438516
Energy: 1.0852452015079668
Energy: 1.088115545344426
Energy: 1.1184941984704124
Energy: 1.039123266726545
Energy: 1.1184941984704124
Energy: 1.0391232667271195
Energy: 1.118494198470987
Energy: 1.0391232667271195

minimum gb energy = 0.9748814379628583 eV
minimum distance =  2.3520217738523 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.44427961652322
Energy: 0.9800786067376113
Energy: 1.44427961652322
Energy: 0.9800786067376113
Energy: 1.4442796165224765
Energy: 0.980078606738355
Energy: 1.0860849165740871
Energy: 0.9349247466673206
Energy: 1.0860849165740871
Energy: 0.9349247466673206
Energy: 1.0860849165740871
Energy: 0.9349247466673206
Energy: 1.2583643974138978
Energy: 1.3141508595268412
Energy: 1.2583643974146415
Energy: 1.3141508595268412
Energy: 1.2583643974138978
Energy: 1.3141508595268412
Energy: 1.251966365308454
Energy: 1.1465060493774095
Energy: 1.2519663653077104
Energy: 1.1465060493781534
Energy: 1.2519663653069666
Energy: 1.1465060493774095
Energy: 1.3215381578815055
Energy: 1.2338390873341285
Energy: 1.3215381578815055
Energy: 1.2338390873348721
Energy: 1.3215381578807617
Energy: 1.2338390873348721
Energy: 1.1662767856264236
Energy: 1.0869368561327601
Energy: 1.1662767856264236
Energy: 1.086936856133504
Energy: 1.1662767856256797
Energy: 1.086936856133504
Energy: 1.0915587140507184
Energy: 1.0921014259668882
Energy: 1.0915587140499747
Energy: 1.0921014260099893
Energy: 1.0915587140499747
Energy: 1.0921014259683757
Energy: 1.03042960545635
Energy: 1.1570827599357356
Energy: 1.0304296054556064
Energy: 1.1570827599357356
Energy: 1.0304296054556064
Energy: 1.1570827599357356
Energy: 1.2317463485266
Energy: 0.935455031739211
Energy: 1.2317463485258562
Energy: 0.9354550317384671
Energy: 1.2317463485266
Energy: 0.935455031739211
Energy: 0.9121001791233401
Energy: 1.0860495384848032
Energy: 0.9121001791233401
Energy: 1.0860495384848032
Energy: 0.9121001791233401
Energy: 1.0860495384848032
Energy: 1.0266793541840658
Energy: 1.147027991656639
Energy: 1.0266793541840658
Energy: 1.1470279916558954
Energy: 1.0266793541825783
Energy: 1.1470279916558954
Energy: 1.2398418617770735
Energy: 1.4245692072917528
Energy: 1.2398418617770735
Energy: 1.4245692072917528
Energy: 1.2398418617770735
Energy: 1.4245692072917528
Energy: 1.126698763484233
Energy: 0.9350154603378077
Energy: 1.126698763484233
Energy: 0.9350154603378077
Energy: 1.126698763484233
Energy: 0.9350154603378077
Energy: 1.0251646145117177
Energy: 1.0229482937472942
Energy: 1.0251646145050244
Energy: 1.0229482937472942
Energy: 1.0251646145065119
Energy: 1.0229482937465506
Energy: 1.0017632571787836
Energy: 1.0208056710339768
Energy: 1.0017632571787836
Energy: 1.020805671033233
Energy: 1.00176325717804
Energy: 1.0208056710339768
Energy: 1.1541097679161336
Energy: 1.3653252327779832
Energy: 1.154109767916877
Energy: 1.3653252327779832
Energy: 1.1541097679161336
Energy: 1.3653252327779832
Energy: 0.9122411591163593
Energy: 1.0864423967250618
Energy: 0.9122411591171029
Energy: 1.0864423967250618
Energy: 0.9122411591163593
Energy: 1.0864423967258054
Energy: 1.0247966862497404
Energy: 1.2275593346080278
Energy: 1.024796686250484
Energy: 1.2275593346080278
Energy: 1.0247966862497404
Energy: 1.2275593346080278
Energy: 0.9122097526491536
Energy: 1.0863990318886938
Energy: 0.91220975264841
Energy: 1.0863990318886938
Energy: 0.9122097526491536
Energy: 1.0863990318886938
Energy: 1.1540322845851982
Energy: 1.3653320119887788
Energy: 1.1540322845837108
Energy: 1.3653320119887788
Energy: 1.1540322845851982
Energy: 1.3653320119895225
Energy: 1.0018291479383905
Energy: 1.020817563859871
Energy: 1.001829147939134
Energy: 1.020817563859871
Energy: 1.0018291479383905
Energy: 1.020817563859871
Energy: 1.0250988344285719
Energy: 0.9635257888099785
Energy: 1.0250988343765126
Energy: 0.9635257888092348
Energy: 1.0250988343891554
Energy: 0.9635257888092348
Energy: 1.126783687265822
Energy: 0.934978665895592
Energy: 1.126783687265822
Energy: 0.9349786658948482
Energy: 1.126783687265822
Energy: 0.9349786658948482
Energy: 1.2400245139378114
Energy: 1.4246412795518175
Energy: 1.2400245139378114
Energy: 1.4246412795518175
Energy: 1.2400245139370678
Energy: 1.4246412795518175

minimum gb energy = 0.9121001791233401 eV
minimum distance =  2.27282439496787 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.6729711460819154
Energy: 0.982445132971358
Energy: 1.6729711460819154
Energy: 0.982445132971358
Energy: 1.6729711460819154
Energy: 0.982445132971358
Energy: 0.9468990955953306
Energy: 0.9336753945989232
Energy: 0.946899095597434
Energy: 0.9336753945989232
Energy: 0.946899095597434
Energy: 0.9336753945989232
Energy: 1.1837353523961704
Energy: 1.0639852733163313
Energy: 1.1837353523972223
Energy: 1.0639852733163313
Energy: 1.1837353523961704
Energy: 1.0639852733163313
Energy: 0.8737337365843322
Energy: 1.1439181165489005
Energy: 0.8737337365843322
Energy: 1.1439181165489005
Energy: 0.873733736585384
Energy: 1.1439181165499284
Energy: 1.3586818873310655
Energy: 1.1002471855385976
Energy: 1.3586818873300142
Energy: 1.1002471855385976
Energy: 1.3586818873300142
Energy: 1.1002471855396496
Energy: 1.06652939395772
Energy: 1.0623069674405714
Energy: 1.066529393953513
Energy: 1.0623069674405714
Energy: 1.06652939395772
Energy: 1.0623069674405714
Energy: 1.0795709657176433
Energy: 0.9276795489331522
Energy: 1.0795709657165915
Energy: 0.9276795489331522
Energy: 1.0795709657165915
Energy: 0.9276795489331522
Energy: 0.8738007660008231
Energy: 1.1172484650771477
Energy: 0.8738007660008231
Energy: 1.1172484650771477
Energy: 0.8738007660008231
Energy: 1.1172484650771477
Energy: 1.1281251833879127
Energy: 0.933596469439286
Energy: 1.1281251833879127
Energy: 0.933596469439286
Energy: 1.1281251833879127
Energy: 0.933596469439286
Energy: 1.1335985654757632
Energy: 0.9723942502156153
Energy: 1.1335985654747118
Energy: 0.9723942502135118
Energy: 1.1335985654757632
Energy: 0.9723942502145635
Energy: 1.0126471102295616
Energy: 1.0986194818518271
Energy: 1.0126471102295616
Energy: 1.0986194818518271
Energy: 1.0126471102295616
Energy: 1.0986194818518271
Energy: 1.0853063121531956
Energy: 0.9338853806217112
Energy: 1.0853063121542474
Energy: 0.9338853806217112
Energy: 1.0853063121542474
Energy: 0.9338853806217112
Energy: 0.896979770612203
Energy: 1.0639297661563432
Energy: 0.896979770612203
Energy: 1.0639297661563432
Energy: 0.896979770612203
Energy: 1.0639297661563432
Energy: 0.997537073660986
Energy: 1.1620681023572277
Energy: 0.997537073660986
Energy: 1.1620681023582793
Energy: 0.997537073660986
Energy: 1.1620681023582793
Energy: 1.1404149327426938
Energy: 1.228191635267753
Energy: 1.1404149327426938
Energy: 1.228191635267753
Energy: 1.1404149327437456
Energy: 1.228191635267753
Energy: 1.0636386007844811
Energy: 1.059011738559443
Energy: 1.0636386007844811
Energy: 1.0590117385583913
Energy: 1.0636386007844811
Energy: 1.0590117385583913
Energy: 0.9959382365511288
Energy: 1.2072116456034414
Energy: 0.9959382365511288
Energy: 1.2072116456034414
Energy: 0.9959382365511288
Energy: 1.2072116456034414

minimum gb energy = 0.8737337365843322 eV
minimum distance =  2.33240228212006 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.0737326633126654
Energy: 0.9003606000334915
Energy: 0.9924621741408465
Energy: 0.9003606000334915
Energy: 1.0737326633155082
Energy: 0.9003606000334915
Energy: 1.0573708166507927
Energy: 0.9391099637677445
Energy: 1.0067181757443546
Energy: 0.9391099637685567
Energy: 1.0573708166511988
Energy: 0.9391099637689629
Energy: 1.044007523507935
Energy: 0.9856004824671678
Energy: 0.9987001117495179
Energy: 0.9856004824679431
Energy: 1.0440075235071227
Energy: 0.9856004824683493
Energy: 0.9137207523440908
Energy: 0.9739972970324112
Energy: 0.9140474402475078
Energy: 0.9739972970340359
Energy: 0.9137207523428723
Energy: 0.9739972970340359
Energy: 1.0013911689862711
Energy: 1.0154346489463513
Energy: 1.0013911689854589
Energy: 1.0154346489487882
Energy: 1.0013911689850525
Energy: 1.0154346489487882
Energy: 1.1160936679283202
Energy: 0.8866014007139342
Energy: 1.1162649209461148
Energy: 0.8866014007159649
Energy: 1.1160936679295386
Energy: 0.8866014007159649
Energy: 1.0114507178773238
Energy: 1.017487298245344
Energy: 1.0114507178765113
Energy: 1.0174872982437193
Energy: 1.0114507178765113
Energy: 1.0174872982433134
Energy: 1.2240509937171253
Energy: 1.1297828880618963
Energy: 1.2240509937163129
Energy: 1.1297828880614902
Energy: 1.224050993716719
Energy: 1.129782888061084
Energy: 0.9635314189155126
Energy: 1.0530722152039667
Energy: 0.9635314189159188
Energy: 1.0530722152031544
Energy: 0.963531418916288
Energy: 1.0530722152031544
Energy: 1.0052906164460282
Energy: 0.8663946009531598
Energy: 1.005290616445216
Energy: 0.8663946009511289
Energy: 1.0052906164448097
Energy: 0.8663946009507228
Energy: 1.1529931562540514
Energy: 1.077017686075409
Energy: 1.1529931562564883
Energy: 1.0770176860745968
Energy: 1.1529931562568945
Energy: 1.077017686075003
Energy: 1.0398821809360874
Energy: 1.1855491974592411
Energy: 1.0398821809360874
Energy: 1.1855491974568042
Energy: 1.0398821809360874
Energy: 1.185549197456398
Energy: 0.9635359830268551
Energy: 1.0301425026648197
Energy: 0.9635359830276673
Energy: 1.0301425026640072
Energy: 0.9635359830260428
Energy: 1.0301425026636013
Energy: 0.9813203671570938
Energy: 0.9910933442464435
Energy: 0.9813203671554691
Energy: 0.991093344244819
Energy: 0.9813203671562816
Energy: 0.9910933442444128
Energy: 1.0653619076071457
Energy: 0.9251963828940215
Energy: 1.0653629741771184
Energy: 0.925196382895646
Energy: 1.0653619076071457
Energy: 0.9251963828940215
Energy: 0.9268513313253569
Energy: 1.026967366461003
Energy: 0.9268497456188575
Energy: 1.0269673664626275
Energy: 0.9268513313245447
Energy: 1.0269673664626275
Energy: 0.8715716760884835
Energy: 1.0642013900683676
Energy: 0.8715716760880773
Energy: 1.064201390067555
Energy: 0.8715716760880773
Energy: 1.064201390067149
Energy: 1.1002891709452538
Energy: 1.153107807401992
Energy: 1.100289170943629
Energy: 1.153107807401586
Energy: 1.1002891709444416
Energy: 1.153107807401992
Energy: 0.9624798076540823
Energy: 1.0280609596540813
Energy: 0.9624798076516453
Energy: 1.0280609596536754
Energy: 0.9624798076524576
Energy: 1.028060959653269
Energy: 0.8705231524836382
Energy: 0.8239882561032136
Energy: 0.8705231524824197
Energy: 0.8239882561036198
Energy: 0.870523152483232
Energy: 0.8239882561040258
Energy: 1.0266706030225805
Energy: 1.02662153833981
Energy: 1.0266706030242052
Energy: 1.0266215383426531
Energy: 1.0266706030225805
Energy: 1.0266215383426531
Energy: 1.0216760736951345
Energy: 1.1534999677991458
Energy: 1.0216760736947283
Energy: 1.1534999678015827
Energy: 1.0216760736959467
Energy: 1.1534999678011764
Energy: 0.8870079640176257
Energy: 1.0047709942170278
Energy: 0.8870079640168135
Energy: 1.0047709942170278
Energy: 0.887007964018032
Energy: 1.0047709942170278
Energy: 0.8798349615639323
Energy: 1.103393214891975
Energy: 0.8798349615619016
Energy: 1.1033932148931933
Energy: 0.8798349615651507
Energy: 1.1033932148931933
Energy: 1.0918105015391042
Energy: 0.9192232459236503
Energy: 1.0918105015399167
Energy: 0.9192232459228381
Energy: 1.0918105015366673
Energy: 0.9192232459228381
Energy: 0.9563790064149965
Energy: 1.0220838937093462
Energy: 0.9767567653623639
Energy: 1.0220838937073153
Energy: 0.956379006413778
Energy: 1.0220838937069092
Energy: 1.0312023398714585
Energy: 0.9982836047397895
Energy: 0.9839985997591111
Energy: 0.998283604740602
Energy: 1.0312023398718648
Energy: 0.998283604740602
Energy: 1.0367685494508578
Energy: 1.1893074503878838
Energy: 0.9950483441317546
Energy: 1.1893074503866652
Energy: 1.0367685494480146
Energy: 1.1893074503866652
Energy: 1.151732251864381
Energy: 1.0750515501829747
Energy: 1.151728728039529
Energy: 1.07505155018135
Energy: 1.1517322518660058
Energy: 1.0750515501821625
Energy: 1.0100385401908067
Energy: 0.869900964164453
Energy: 1.010038540191619
Energy: 0.8699009641628282
Energy: 1.0100385401920253
Energy: 0.8699009641628282
Energy: 1.0290468913536461
Energy: 1.0393479344524232
Energy: 1.0290468913524276
Energy: 1.0393479344503926
Energy: 1.0290468913532398
Energy: 1.0393479344503926
Energy: 1.139276795501522
Energy: 1.2149698694833464
Energy: 1.1392767955023342
Energy: 1.2149698694817217
Energy: 1.1392767955023342
Energy: 1.2149698694817217
Energy: 1.0233303620792047
Energy: 0.9518255147780065
Energy: 1.023330362080423
Energy: 0.9518255147776005
Energy: 1.0233303620812355
Energy: 0.9518255147771942
Energy: 1.0703709433198474
Energy: 0.8541903157336403
Energy: 1.0703709433226902
Energy: 0.8541903157340466
Energy: 1.070370943319441
Energy: 0.8541903157336403
Energy: 1.0014497024647333
Energy: 1.0210549041342052
Energy: 1.0014497024655455
Energy: 1.0210549041313624
Energy: 1.001449702464327
Energy: 1.0210549041309562
Energy: 0.9147065510997826
Energy: 1.0010042648746804
Energy: 0.9147065511026258
Energy: 1.0010042648746804
Energy: 0.9147065511018133
Energy: 1.0010042648750865
Energy: 1.0177563795188531
Energy: 0.927176364465079
Energy: 1.0177563795200715
Energy: 0.9271763644642668
Energy: 1.0177563795204778
Energy: 0.927176364465079
Energy: 1.020759885507423
Energy: 0.979656892110289
Energy: 1.0207598855102658
Energy: 0.9796568921119136
Energy: 1.0207598855094535
Energy: 0.9796568921119136
Energy: 0.9924621741416588
Energy: 0.9003606000343037
Energy: 0.9924621741416588
Energy: 0.90036060003471
Energy: 0.9924621741424711
Energy: 0.90036060003471
Energy: 1.0067181757435424
Energy: 0.9493802472811628
Energy: 1.0067181757431363
Energy: 0.9493802472807565
Energy: 1.0067181757439485
Energy: 0.9493802472799443
Energy: 1.1054892156066836
Energy: 0.9854507627811753
Energy: 1.105501341803729
Energy: 0.9854507627823937
Energy: 1.1054892156091205
Energy: 0.9854507627823937
Energy: 0.9143245357281393
Energy: 1.0643552331672683
Energy: 0.9142910371011317
Energy: 1.064355233169262
Energy: 0.9143245357277333
Energy: 1.064355233169262
Energy: 1.0013911689870836
Energy: 1.0156202152882985
Energy: 1.0013911689850525
Energy: 1.015620215287486
Energy: 1.001391168985865
Energy: 1.0156202152870801

minimum gb energy = 0.8239882561032136 eV
minimum distance =  2.25818253172971 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.8950491860793971
Energy: 0.7691154920938927
Energy: 0.8950491860879939
Energy: 0.7691154920945541
Energy: 0.8950491860767518
Energy: 0.7691154920945541
Energy: 0.8971281143551723
Energy: 0.8540761022548495
Energy: 0.8971281143551723
Energy: 0.8540761022555109
Energy: 0.8971281143558335
Energy: 0.8540761022555109
Energy: 0.9967120611212757
Energy: 0.8403514337902437
Energy: 0.9967120611212757
Energy: 0.8403514337902437
Energy: 0.9967120611212757
Energy: 0.8403514337895823
Energy: 1.0268803374170858
Energy: 0.8847298499012959
Energy: 1.0268803374170858
Energy: 0.8847298499012959
Energy: 1.0268803374170858
Energy: 0.8847298499019571
Energy: 0.8992659412877021
Energy: 0.8319581430625274
Energy: 0.8992659412863794
Energy: 0.8319581430625274
Energy: 0.8992659412877021
Energy: 0.8319581430625274
Energy: 0.9287483632144052
Energy: 0.7585930192553393
Energy: 0.9287483632150665
Energy: 0.758593019256662
Energy: 0.9287483632144052
Energy: 0.7585930192553393
Energy: 1.0596893341994007
Energy: 0.8852998603954192
Energy: 1.0596893341994007
Energy: 0.8852998603954192
Energy: 1.0596893341994007
Energy: 0.8852998603954192
Energy: 1.0215543115975376
Energy: 1.0297628392449698
Energy: 1.0215543115968762
Energy: 1.0297628392443086
Energy: 1.0215543115975376
Energy: 1.0297628392443086
Energy: 0.8408795059419483
Energy: 0.7613864053833083
Energy: 0.840879505941287
Energy: 0.7613864053826471
Energy: 0.8408795059426095
Energy: 0.7613864053833083
Energy: 0.9019474202184861
Energy: 0.9155268041924944
Energy: 0.9019474202191472
Energy: 0.915526804191833
Energy: 0.9019474202191472
Energy: 0.9155268041924944
Energy: 1.0101748503835994
Energy: 1.0271555984446576
Energy: 1.0101748503835994
Energy: 1.0271555984446576
Energy: 1.0101748503835994
Energy: 1.0271555984446576
Energy: 0.8513309909778409
Energy: 1.0143247894007175
Energy: 0.8513309909771797
Energy: 1.0143247894013787
Energy: 0.8513309909778409
Energy: 1.0143247894013787
Energy: 0.9022377536135928
Energy: 0.9435612619138998
Energy: 0.902237753614254
Energy: 0.9435612619138998
Energy: 0.9022377536135928
Energy: 0.9435612619138998
Energy: 1.0212015933209615
Energy: 0.9229463210006874
Energy: 1.0212015933203002
Energy: 0.9229463210006874
Energy: 1.0212015933209615
Energy: 0.9229463210006874
Energy: 0.8916918527588363
Energy: 1.052272572132888
Energy: 0.8916918527581751
Energy: 1.0522725721335493
Energy: 0.8916918527581751
Energy: 1.052272572132888
Energy: 0.8778508055590997
Energy: 0.8938073691302189
Energy: 0.8778508055590997
Energy: 0.8938073691295576
Energy: 0.8778508055584385
Energy: 0.8938073691302189
Energy: 0.8901406271403127
Energy: 0.9001368095107135
Energy: 0.8901406271396515
Energy: 0.9001368095107135
Energy: 0.8901406271396515
Energy: 0.9001368095107135
Energy: 0.9665136959527808
Energy: 1.0534283430586209
Energy: 0.9665136959527808
Energy: 1.0534283430586209
Energy: 0.9665136959527808
Energy: 1.0534283430586209
Energy: 0.8393753195865823
Energy: 0.9361506896075631
Energy: 0.8393753195865823
Energy: 0.9361506896082243
Energy: 0.8393753195865823
Energy: 0.9361506896082243
Energy: 0.8603650957071804
Energy: 0.8816294999717605
Energy: 0.8603650957078418
Energy: 0.8816294999717605
Energy: 0.8603650957071804
Energy: 0.8816294999717605
Energy: 0.9095754287776803
Energy: 1.0337277566670053
Energy: 0.9095754287770188
Energy: 1.0337277566683278
Energy: 0.9095754287783415
Energy: 1.0337277566683278
Energy: 0.8407262995750556
Energy: 0.9389681855518477
Energy: 0.8407262995743942
Energy: 0.9389681855511862
Energy: 0.8407262995750556
Energy: 0.9389681855525089
Energy: 0.7843230700116398
Energy: 0.8545095082501739
Energy: 0.7843230700109785
Energy: 0.8545095082501739
Energy: 0.7843230700116398
Energy: 0.8545095082508352
Energy: 0.8669762804555399
Energy: 0.9390929070590928
Energy: 0.8669762804555399
Energy: 0.9390929070590928
Energy: 0.8669762804568623
Energy: 0.939092907059754
Energy: 0.9646005228663035
Energy: 1.0314469288694732
Energy: 0.964600522864981
Energy: 1.0314469288694732
Energy: 0.9646005228663035
Energy: 1.0314469288694732
Energy: 0.7698337656746171
Energy: 0.853433368152616
Energy: 0.7698337656752784
Energy: 0.853433368152616
Energy: 0.7698337656746171
Energy: 0.853433368152616
Energy: 0.8370972472471105
Energy: 0.9363674954210335
Energy: 0.8370972472484329
Energy: 0.9363674954210335
Energy: 0.8370972472477718
Energy: 0.9363674954210335

minimum gb energy = 0.7585930192553393 eV
minimum distance =  2.28784583281349 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.9445514988215924
Energy: 0.6676260700076092
Energy: 0.9445514988211104
Energy: 0.6676260700076092
Energy: 0.9445514988211104
Energy: 0.6676260700071275
Energy: 0.7591846246945957
Energy: 0.7659348344757813
Energy: 0.7591846246945957
Energy: 0.7659348344757813
Energy: 0.7591846246945957
Energy: 0.7659348344757813
Energy: 0.7453630427698633
Energy: 0.7676180446687609
Energy: 0.7453630427698633
Energy: 0.7676180446687609
Energy: 0.7453630427703452
Energy: 0.7676180446687609
Energy: 0.8864355312818218
Energy: 0.7325688208605019
Energy: 0.8864355312808581
Energy: 0.7325688208605019
Energy: 0.8864355312818218
Energy: 0.7325688208600201
Energy: 0.7609919166445186
Energy: 0.7186281067163897
Energy: 0.7609919166440368
Energy: 0.7186281067168715
Energy: 0.7609919166445186
Energy: 0.7186281067163897
Energy: 0.7670831482292184
Energy: 0.7594428987141744
Energy: 0.7670831482292184
Energy: 0.7594428987146561
Energy: 0.7670831482292184
Energy: 0.7594428987146561
Energy: 0.8636013905942914
Energy: 0.7430213246954742
Energy: 0.8636013905942914
Energy: 0.7430213246954742
Energy: 0.8636013905938096
Energy: 0.7430213246954742
Energy: 1.005682352951349
Energy: 0.8108555449787285
Energy: 1.0056823529503853
Energy: 0.8108555449787285
Energy: 1.005682352951349
Energy: 0.8108555449782465
Energy: 0.7504935960622708
Energy: 0.7514554578932471
Energy: 0.7504935960627527
Energy: 0.7514554578932471
Energy: 0.7504935960622708
Energy: 0.7514554578932471
Energy: 0.7613280974993092
Energy: 0.7163427351261418
Energy: 0.7613280974988273
Energy: 0.7163427351261418
Energy: 0.7613280974988273
Energy: 0.7163427351261418
Energy: 0.8552623698036346
Energy: 0.8200939060184392
Energy: 0.8552623698036346
Energy: 0.8200939060184392
Energy: 0.8552623698036346
Energy: 0.8200939060184392
Energy: 0.7343080000800145
Energy: 0.7502454672422821
Energy: 0.7343080000795327
Energy: 0.7502454672432458
Energy: 0.7343080000804963
Energy: 0.7502454672432458
Energy: 0.7611107737107172
Energy: 0.7311852028229519
Energy: 0.7611107737116808
Energy: 0.73118520282247
Energy: 0.7611107737107172
Energy: 0.7311852028229519
Energy: 0.8501356882919697
Energy: 0.8538229512192582
Energy: 0.8501356882914879
Energy: 0.8538229512197402
Energy: 0.8501356882919697
Energy: 0.8538229512197402
Energy: 0.7142409811386509
Energy: 0.749941895812598
Energy: 0.7142409811391327
Energy: 0.749941895812598
Energy: 0.7142409811396145
Energy: 0.749941895812598
Energy: 0.7770656901379326
Energy: 0.7664095101103884
Energy: 0.7770656901369689
Energy: 0.7664095101103884
Energy: 0.7770656901374507
Energy: 0.7664095101103884
Energy: 0.8336044152578468
Energy: 0.8474582488953519
Energy: 0.8336044152583285
Energy: 0.8474582488953519
Energy: 0.8336044152578468
Energy: 0.8474582488953519
Energy: 0.7099206012835727
Energy: 0.8648118085757887
Energy: 0.7099206012840545
Energy: 0.8648118085753068
Energy: 0.7099206012835727
Energy: 0.8648118085757887
Energy: 0.7334765844364357
Energy: 0.783989841593053
Energy: 0.7334765844373992
Energy: 0.783989841593053
Energy: 0.7334765844369175
Energy: 0.783989841593053
Energy: 0.8542557857354673
Energy: 0.7442604372927248
Energy: 0.8542557857354673
Energy: 0.7442604372932068
Energy: 0.8542557857359491
Energy: 0.744260437292243
Energy: 0.7447712099398905
Energy: 0.8873896638007064
Energy: 0.7447712099394088
Energy: 0.8873896638007064
Energy: 0.7447712099394088
Energy: 0.8873896638007064
Energy: 0.7729232000364844
Energy: 0.7565175816889925
Energy: 0.7729232000369661
Energy: 0.7565175816885107
Energy: 0.7729232000369661
Energy: 0.7565175816894744
Energy: 0.7719332291221778
Energy: 0.7515031429980705
Energy: 0.7719332291226596
Energy: 0.7515031429980705
Energy: 0.7719332291226596
Energy: 0.7515031429975888
Energy: 0.8005196560273848
Energy: 0.8874461526389272
Energy: 0.8005196560269031
Energy: 0.8874461526369998
Energy: 0.8005196560273848
Energy: 0.8874461526374817
Energy: 0.7369760434797289
Energy: 0.7462151872079353
Energy: 0.7369760434792471
Energy: 0.7462151872079353
Energy: 0.7369760434797289
Energy: 0.7462151872079353
Energy: 0.735054969185901
Energy: 0.7321333814818172
Energy: 0.735054969185901
Energy: 0.7321333814818172
Energy: 0.735054969185901
Energy: 0.7321333814818172
Energy: 0.7472972308117309
Energy: 0.8848384644201158
Energy: 0.7472972308112491
Energy: 0.8848384644205975
Energy: 0.7472972308122128
Energy: 0.8848384644205975
Energy: 0.6772877354327137
Energy: 0.7394586719816988
Energy: 0.6772877354331955
Energy: 0.7394586719816988
Energy: 0.6772877354327137
Energy: 0.7394586719816988
Energy: 0.7491165530797651
Energy: 0.7012280044961796
Energy: 0.7491165530792833
Energy: 0.7012280044956978
Energy: 0.7491165530812106
Energy: 0.7012280044961796
Energy: 0.7115698558405077
Energy: 0.8425473901638227
Energy: 0.7115698558409895
Energy: 0.8425473901643045
Energy: 0.7115698558409895
Energy: 0.8425473901633408
Energy: 0.707819395337082
Energy: 0.7394229384405672
Energy: 0.707819395337082
Energy: 0.7394229384396035
Energy: 0.707819395337082
Energy: 0.7394229384396035
Energy: 0.7479166611389013
Energy: 0.6845424623230163
Energy: 0.7479166611389013
Energy: 0.6845424623230163
Energy: 0.7479166611389013
Energy: 0.6845424623230163
Energy: 0.7326425643835673
Energy: 0.7433657381702387
Energy: 0.7326425643840492
Energy: 0.7433657381697569
Energy: 0.7326425643835673
Energy: 0.7433657381697569
Energy: 0.8360620683446861
Energy: 0.8532882304403187
Energy: 0.8360620683437222
Energy: 0.8532882304398367
Energy: 0.8360620683442042
Energy: 0.8532882304398367
Energy: 0.7650815124406897
Energy: 0.6834384493346765
Energy: 0.7650815124411715
Energy: 0.6834384493351583
Energy: 0.765081512439726
Energy: 0.6834384493351583
Energy: 0.6622239478480876
Energy: 0.7421347311110778
Energy: 0.6622239478476057
Energy: 0.7421347311115596
Energy: 0.6622239478466421
Energy: 0.7421347311115596

minimum gb energy = 0.6622239478466421 eV
minimum distance =  2.27580267042216 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 1.0035173264534791
Energy: 0.049039357786805855
Energy: 1.0035173264534791
Energy: 0.0490393579885475
Energy: 1.0035173264534791
Energy: 0.04903935770186836
Energy: 1.0035206725127581
Energy: 0.04695207108103322
Energy: 1.0035206725127581
Energy: 0.04695207084744504
Energy: 1.0035206725127581
Energy: 0.04695207099076449
Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 1.0035173264534791
Energy: 0.04903935191887618
Energy: 1.0035173264534791
Energy: 0.049039352163066444
Energy: 1.0035173264534791
Energy: 0.04903935226924838
Energy: 1.0035206725109878
Energy: 0.04695208363090038
Energy: 1.0035206725127581
Energy: 0.04695208352119782
Energy: 1.0035206725127581
Energy: 0.04695208336015456
Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 1.0035173264534791
Energy: 0.04903934312758377
Energy: 1.0035173264499382
Energy: 0.0490393431258134
Energy: 1.0035173264534791
Energy: 0.049039343318703195
Energy: 1.0035206725127581
Energy: 0.04695209407322321
Energy: 1.0035206725127581
Energy: 0.046952094347509764
Energy: 1.0035206725127581
Energy: 0.04695209427671511
Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 0.04610370867213702
Energy: 0.08045540125045358
Energy: 0.04610370867213702
Energy: 0.08045540125045358

minimum gb energy = 0.04610370867213702 eV
minimum distance =  2.53178194828654 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.7719977043224866
Energy: 0.6612409963953443
Energy: 0.7719977043224866
Energy: 0.6612409963953443
Energy: 0.7719977043224866
Energy: 0.6612409963953443
Energy: 0.6735873280712807
Energy: 0.6450523815362149
Energy: 0.6735873280712807
Energy: 0.6450523815362149
Energy: 0.6735873280712807
Energy: 0.6450523815367447
Energy: 0.6393694868279397
Energy: 0.6324055811723189
Energy: 0.7239479982911642
Energy: 0.6324055811723189
Energy: 0.6393694868284694
Energy: 0.6324055811723189
Energy: 0.6732969946530029
Energy: 0.7125366467179378
Energy: 0.6732969946535327
Energy: 0.7125366467184676
Energy: 0.6732969946530029
Energy: 0.7125366467184676
Energy: 0.6326932828226525
Energy: 0.6377309872479986
Energy: 0.6326932828221227
Energy: 0.6377309872474688
Energy: 0.6326932828221227
Energy: 0.6377309872474688
Energy: 0.6394992512271053
Energy: 0.6327787627955037
Energy: 0.639499251227635
Energy: 0.6327787627955037
Energy: 0.639499251227635
Energy: 0.6327787627955037
Energy: 0.6154368789050426
Energy: 0.7286740561460411
Energy: 0.6154368789050426
Energy: 0.7286740561460411
Energy: 0.6154368789050426
Energy: 0.7286740561460411
Energy: 0.6221879560667257
Energy: 0.6316202176010993
Energy: 0.6221879560667257
Energy: 0.6316202176010993
Energy: 0.6221879560667257
Energy: 0.6316202176010993
Energy: 0.6599365216798622
Energy: 0.636652214967088
Energy: 0.6599365216798622
Energy: 0.636652214967088
Energy: 0.6599365216798622
Energy: 0.636652214967088
Energy: 0.6145461713407817
Energy: 0.6787915235275019
Energy: 0.6145461713402519
Energy: 0.6787915235275019
Energy: 0.6145461713407817
Energy: 0.6787915235275019
Energy: 0.6959706406533979
Energy: 0.6316455773681259
Energy: 0.695970640652868
Energy: 0.6316455773675961
Energy: 0.6959706406533979
Energy: 0.6316455773675961
Energy: 0.6835408700178438
Energy: 0.6797879852248615
Energy: 0.6835408700183735
Energy: 0.6797879852243317
Energy: 0.6835408700183735
Energy: 0.6797879852248615
Energy: 0.6433390734524129
Energy: 0.6246698467972052
Energy: 0.6433390734524129
Energy: 0.6246698467966755
Energy: 0.6433390734529426
Energy: 0.6246698467972052
Energy: 0.7170510382117593
Energy: 0.6960271475769022
Energy: 0.7170510382117593
Energy: 0.6960271475769022
Energy: 0.7170510382117593
Energy: 0.6960271475769022
Energy: 0.6262537318781244
Energy: 0.7129483172111108
Energy: 0.6262537318781244
Energy: 0.712948317210581
Energy: 0.6262537318781244
Energy: 0.712948317210581
Energy: 0.6421981532883879
Energy: 0.6273437211172632
Energy: 0.6421981532883879
Energy: 0.6273437211071973
Energy: 0.6421981532883879
Energy: 0.6273437211183227
Energy: 0.6988345012851008
Energy: 0.7189503662893533
Energy: 0.6988345012856306
Energy: 0.7189503662893533
Energy: 0.6988345012851008
Energy: 0.7189503662893533
Energy: 0.6415076515319215
Energy: 0.6782935939232785
Energy: 0.6415076515319215
Energy: 0.6782935939227487
Energy: 0.6415076515319215
Energy: 0.6782935939232785
Energy: 0.6416231268665312
Energy: 0.6514542210439996
Energy: 0.6416231268665312
Energy: 0.6514542210434939
Energy: 0.641623126867061
Energy: 0.6514542210408449
Energy: 0.6367549586837957
Energy: 0.8688015455247217
Energy: 0.6367549586843254
Energy: 0.8688015455263111
Energy: 0.6367549586837957
Energy: 0.868801545526841
Energy: 0.6657603903099806
Energy: 0.6673286239776156
Energy: 0.6657603903099806
Energy: 0.6673286239776156
Energy: 0.6657603903099806
Energy: 0.6673286239776156
Energy: 0.6693059052126653
Energy: 0.6331371117084368
Energy: 0.6693059052121355
Energy: 0.633137111707907
Energy: 0.6693059052126653
Energy: 0.633137111707907
Energy: 0.6804473035665202
Energy: 0.6585185641818743
Energy: 0.6804473035659904
Energy: 0.6585185641818743
Energy: 0.6804473035665202
Energy: 0.6585185641818743
Energy: 0.7368692258350085
Energy: 0.6683131214109085
Energy: 0.7368692258344788
Energy: 0.6683131214109085
Energy: 0.7368692258355384
Energy: 0.6683131214109085
Energy: 0.6365382049767634
Energy: 0.6472081325656611
Energy: 0.6365382049762336
Energy: 0.6472081325656611
Energy: 0.6365382049767634
Energy: 0.6472081325651314
Energy: 0.6860309520796095
Energy: 0.6305623593508296
Energy: 0.6860309520796095
Energy: 0.6305623593502999
Energy: 0.6860309520796095
Energy: 0.6305623593502999
Energy: 0.7597874169089764
Energy: 0.6788153613511605
Energy: 0.7597874169095064
Energy: 0.6788153613516903
Energy: 0.759787416907917
Energy: 0.6788153613516903
Energy: 0.6149113001118965
Energy: 0.6613925890667085
Energy: 0.6149113001118965
Energy: 0.6613925890667085
Energy: 0.6149113001118965
Energy: 0.6613925890667085
Energy: 0.6607529889604157
Energy: 0.6296089290837554
Energy: 0.6607529889604157
Energy: 0.6296089290832259
Energy: 0.6607529889604157
Energy: 0.6296089290837554
Energy: 0.9283999207747868
Energy: 0.7320316459705649
Energy: 0.928399920774257
Energy: 0.7320316459705649
Energy: 0.9283999207737273
Energy: 0.7320316459705649
Energy: 0.674049058192976
Energy: 0.6579788952450961
Energy: 0.674049058192976
Energy: 0.6579788952450961
Energy: 0.674049058192976
Energy: 0.6579788952450961
Energy: 0.6907569850547266
Energy: 0.6330390893060883
Energy: 0.6907569850547266
Energy: 0.6330390893060883
Energy: 0.6907569850547266
Energy: 0.6330390893060883
Energy: 0.6248047476758507
Energy: 0.7869981844729033
Energy: 0.6248047476753208
Energy: 0.7869981844729033
Energy: 0.6248047476763805
Energy: 0.7869981844729033

minimum gb energy = 0.6145461713402519 eV
minimum distance =  2.35026563988186 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.8262325346105438
Energy: 0.8361654078591103
Energy: 0.8262325346120535
Energy: 0.8361654078583555
Energy: 0.8262325346112986
Energy: 0.8361654078591103
Energy: 0.8370058740231628
Energy: 0.7810084994640325
Energy: 0.8370058740224079
Energy: 0.7810084994640325
Energy: 0.8370058740239176
Energy: 0.7810084994640325
Energy: 0.8230345904860885
Energy: 0.7790007102321249
Energy: 0.8230345904860885
Energy: 0.77900071023137
Energy: 0.8230345904860885
Energy: 0.7790007102321249
Energy: 0.8425764056530576
Energy: 0.8640543822519425
Energy: 0.8425764056523026
Energy: 0.8640543822519425
Energy: 0.8425764056530576
Energy: 0.8640543822526974
Energy: 0.7866608687512807
Energy: 0.7867121799404632
Energy: 0.7866608687520357
Energy: 0.7867121799404632
Energy: 0.7866608687512807
Energy: 0.7867121799404632
Energy: 0.825808912116692
Energy: 0.775267875936465
Energy: 0.825808912116692
Energy: 0.775267875936465
Energy: 0.825808912116692
Energy: 0.775267875936465
Energy: 0.8914481059184488
Energy: 0.9074414544016148
Energy: 0.8914481058241565
Energy: 0.9074414544016148
Energy: 0.8914481044312508
Energy: 0.9074414544016148
Energy: 0.9233211956056581
Energy: 0.8289325142240603
Energy: 0.9233211956056581
Energy: 0.8289325142248152
Energy: 0.9233211956056581
Energy: 0.8289325142240603
Energy: 0.8464371843171339
Energy: 0.8591256385646383
Energy: 0.8464371843171339
Energy: 0.8591256385653931
Energy: 0.8464371843171339
Energy: 0.8591256385653931
Energy: 0.7644857338675844
Energy: 0.8584900120199095
Energy: 0.7644857338675844
Energy: 0.8584900120199095
Energy: 0.7644857338675844
Energy: 0.8584900120199095
Energy: 0.8178458649439257
Energy: 0.7848073730684659
Energy: 0.8178458649439257
Energy: 0.7848073730677112
Energy: 0.8178458649439257
Energy: 0.7848073730684659
Energy: 0.764131180693432
Energy: 0.8316460158647314
Energy: 0.7641311806941871
Energy: 0.8316460158647314
Energy: 0.7641311806941871
Energy: 0.8316460158639766
Energy: 0.7628354627990556
Energy: 0.844536040378297
Energy: 0.7628354627998104
Energy: 0.844536040378297
Energy: 0.7628354627998104
Energy: 0.844536040378297
Energy: 0.8119452494917969
Energy: 0.79661216433166
Energy: 0.8119452494917969
Energy: 0.79661216433317
Energy: 0.8119452494917969
Energy: 0.7966121643324151
Energy: 0.7991493559375575
Energy: 0.8029287679325267
Energy: 0.7991493559368027
Energy: 0.8029287679325267
Energy: 0.7991493559375575
Energy: 0.8029287679325267
Energy: 0.7972856953621849
Energy: 0.8202206757663599
Energy: 0.79728569536143
Energy: 0.8202206757663599
Energy: 0.79728569536143
Energy: 0.8202206757663599
Energy: 0.8700450824899726
Energy: 0.7846720822745933
Energy: 0.8700450824899726
Energy: 0.7846720822753482
Energy: 0.8700450824899726
Energy: 0.7846720822753482
Energy: 0.8619353733651947
Energy: 0.7812788548808653
Energy: 0.8619353733651947
Energy: 0.7812788548808653
Energy: 0.8619353733644397
Energy: 0.7812788548808653
Energy: 0.778073121592128
Energy: 0.8319127705612681
Energy: 0.778073121592128
Energy: 0.8319127705612681
Energy: 0.7780731215913732
Energy: 0.8319127705612681
Energy: 0.7915295485631619
Energy: 0.781220340875067
Energy: 0.7915295485707108
Energy: 0.781220340875067
Energy: 0.7915295485684463
Energy: 0.781220340875067
Energy: 0.9885227924389336
Energy: 0.7850795808523274
Energy: 0.9885227924389336
Energy: 0.7850795808523274
Energy: 0.9885227924389336
Energy: 0.7850795808523274
Energy: 0.8574033871624003
Energy: 0.8638421036592937
Energy: 0.8574033871631551
Energy: 0.8638421036592937
Energy: 0.8574033871624003
Energy: 0.8638421036585389
Energy: 0.8546655865582704
Energy: 0.7792455369777274
Energy: 0.8546655865582704
Energy: 0.7792455369769725
Energy: 0.8546655865582704
Energy: 0.7792455369777274

minimum gb energy = 0.7628354627990556 eV
minimum distance =  2.3876674205903 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.9577148164259861
Energy: 0.9821126797246041
Energy: 0.9577148164255072
Energy: 0.9821126797241253
Energy: 0.9577148164250282
Energy: 0.9821126797241253
Energy: 0.965634264239739
Energy: 0.9043398209930652
Energy: 0.9656342642406969
Energy: 0.9043398209930652
Energy: 0.9656342642402179
Energy: 0.9043398209930652
Energy: 0.9679961323898013
Energy: 0.9255923788184468
Energy: 0.9679961323893224
Energy: 0.9255923788179679
Energy: 0.9679961323893224
Energy: 0.9255923788179679
Energy: 0.9584536171465605
Energy: 1.0057324833672778
Energy: 0.9584536171460818
Energy: 1.0057324833677568
Energy: 0.9584536171465605
Energy: 1.0057324833672778
Energy: 0.9307999558435127
Energy: 0.9050206193434778
Energy: 0.930799955843034
Energy: 0.9050206193439567
Energy: 0.930799955843034
Energy: 0.9050206193439567
Energy: 1.0087689928466952
Energy: 0.9503451972383121
Energy: 1.0087689928466952
Energy: 1.0108318609662499
Energy: 1.0087689928466952
Energy: 0.9940599400232274
Energy: 0.913418893196546
Energy: 1.0769785497677622
Energy: 0.9134188931960671
Energy: 1.0769785497677622
Energy: 0.913418893196546
Energy: 1.0769785497677622
Energy: 0.9905847853391367
Energy: 0.9078210353946577
Energy: 0.9905847853396157
Energy: 0.9078210353946577
Energy: 0.990584785338658
Energy: 0.9078210353946577
Energy: 0.8851230027267739
Energy: 0.9573281148649193
Energy: 0.8851230027272529
Energy: 0.9573281148649193
Energy: 0.8851230027267739
Energy: 0.9573281148649193
Energy: 0.9113331530148033
Energy: 0.9356803201066417
Energy: 0.9113331530148033
Energy: 0.9876466665027018
Energy: 0.9113331530152823
Energy: 0.9449902689558372
Energy: 0.9661314937165312
Energy: 0.908388466333857
Energy: 0.9661314937165312
Energy: 0.908388466333857
Energy: 0.9661314937160522
Energy: 0.908388466333857
Energy: 0.9288678847007819
Energy: 0.9184421405892392
Energy: 0.9288678847012608
Energy: 0.9184421405897182
Energy: 0.9288678847003031
Energy: 0.9184421405892392
Energy: 0.9136895861081386
Energy: 0.9458914100775676
Energy: 0.9136895861076596
Energy: 0.9458914100775676
Energy: 0.9136895861076596
Energy: 0.9458914100780466
Energy: 0.9302430840635698
Energy: 0.9051256433221838
Energy: 0.9302430840635698
Energy: 0.9051256433221838
Energy: 0.9302430840631346
Energy: 0.9051256433221838
Energy: 0.9809522589651659
Energy: 0.9455268990008593
Energy: 0.9809522589656449
Energy: 0.9455268990003806
Energy: 0.9809522589651659
Energy: 0.9455268990013382
Energy: 0.95802812926291
Energy: 0.9584574817072745
Energy: 0.9580281292624312
Energy: 0.9584574817063168
Energy: 0.95802812926291
Energy: 0.9584574817063168
Energy: 0.9890039481776572
Energy: 0.927172828828355
Energy: 0.9890039481776572
Energy: 0.927172828828355
Energy: 0.9890039481771784
Energy: 0.927172828828355
Energy: 0.9772319552321196
Energy: 0.9969190100369201
Energy: 0.9772319552316407
Energy: 0.9969190100364411
Energy: 0.9772319552316407
Energy: 0.9969190100369201
Energy: 0.9928674399402525
Energy: 0.9797407982944855
Energy: 0.9928674399402525
Energy: 0.9797407982944855
Energy: 0.9928674399402525
Energy: 0.9797407982930487
Energy: 1.079885691801468
Energy: 0.8919067155742344
Energy: 1.0798856918009894
Energy: 0.8919067155737556
Energy: 1.0798856918009894
Energy: 0.8919067155742344
Energy: 0.912893230791869
Energy: 0.9817401146466856
Energy: 0.9128932307913901
Energy: 0.9817401146476435
Energy: 0.9128932307913901
Energy: 0.9817401146476435
Energy: 0.9374034669388465
Energy: 0.9124617632111709
Energy: 0.937403466939804
Energy: 0.9124617632111709
Energy: 0.9374034669393252
Energy: 0.9124617632111709
Energy: 0.9983370748804938
Energy: 0.9079003729419483
Energy: 0.9983370748800151
Energy: 0.9079003729419483
Energy: 0.9983370748804938
Energy: 0.9079003729419483
Energy: 0.9111130063451146
Energy: 0.9273758979169742
Energy: 0.9111130063451146
Energy: 0.9273758979169742
Energy: 0.9111130063451146
Energy: 0.9273758979169742
Energy: 0.9939945646964224
Energy: 0.934251840908816
Energy: 0.9939945646964224
Energy: 0.9342518409092949
Energy: 0.9939945646964224
Energy: 0.9342518409092949
Energy: 1.0239675243691473
Energy: 0.9171903939952775
Energy: 1.0239675243686683
Energy: 0.9171903939947985
Energy: 1.0239675243686683
Energy: 0.9171903939947985
Energy: 0.9122184063255617
Energy: 0.9134695488874814
Energy: 0.9122184063260407
Energy: 0.9134695488874814
Energy: 0.9122184063260407
Energy: 0.9134695488874814
Energy: 0.9176796498142138
Energy: 1.0368774113370367
Energy: 0.9176796498146926
Energy: 1.0368774113375157
Energy: 0.9176796498142138
Energy: 1.0368774113370367
Energy: 1.0815603308352124
Energy: 0.877184030845208
Energy: 1.0815603308352124
Energy: 0.8771840308437715
Energy: 1.0815603308352124
Energy: 0.8771840308447291
Energy: 1.0358830844951787
Energy: 1.0773971466419683
Energy: 1.0358830844942208
Energy: 1.0773971466414893
Energy: 1.0358830844946998
Energy: 1.0773971466419683
Energy: 1.0055398055618998
Energy: 1.0048100842574788
Energy: 1.0055398055623785
Energy: 1.0048100842574788
Energy: 1.0055398055628575
Energy: 1.0048100842574788
Energy: 0.9329083068029177
Energy: 0.9046293934492249
Energy: 0.9329083068033966
Energy: 0.9046293934497037
Energy: 0.9329083068029177
Energy: 0.9046293934497037
Energy: 0.917638855194745
Energy: 0.9719274180198701
Energy: 0.917638855194745
Energy: 0.9719274180193912
Energy: 0.917638855194266
Energy: 0.9719274180189122
Energy: 0.9400343224256684
Energy: 0.9033955708841188
Energy: 0.940034322426626
Energy: 0.9033955708845978
Energy: 0.9400343224256684
Energy: 0.9033955708841188
Energy: 0.927564080138116
Energy: 0.9266635346132339
Energy: 0.9275640801385949
Energy: 0.9266635346132339
Energy: 0.9275640801385949
Energy: 0.9266635346132339
Energy: 0.9450714120409033
Energy: 0.9381016561127336
Energy: 0.9450714120404246
Energy: 0.9381016561127336
Energy: 0.9450714120418612
Energy: 0.9381016561127336
Energy: 0.9264016230219169
Energy: 0.9339821446118454
Energy: 0.9264016230228747
Energy: 0.9339821446113665
Energy: 0.9264016230223958
Energy: 0.9339821446118454

minimum gb energy = 0.8771840308437715 eV
minimum distance =  2.32877311757231 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.1016263533078188
Energy: 1.0690776394115584
Energy: 1.1016263533078188
Energy: 1.0690776394115584
Energy: 1.1016263533078188
Energy: 1.0690776394115584
Energy: 1.127918505078855
Energy: 1.0589346551792955
Energy: 1.1279185050775475
Energy: 1.0589346551780177
Energy: 1.127918505078855
Energy: 1.0589346551792955
Energy: 1.3556478963067509
Energy: 1.053910843076976
Energy: 1.3556478963080583
Energy: 1.053910843076976
Energy: 1.2287051625953254
Energy: 1.053910843076976
Energy: 1.1025408722730128
Energy: 1.1742051280832178
Energy: 1.1025408722730128
Energy: 1.1742051280832178
Energy: 1.1025408722730128
Energy: 1.1742051280832178
Energy: 1.3341923801824356
Energy: 1.0697077150868413
Energy: 1.3341923801824356
Energy: 1.0697077150855339
Energy: 1.3341923801824356
Energy: 1.0697077150868413
Energy: 1.2251932649784216
Energy: 1.1822766960966544
Energy: 1.225193264977114
Energy: 1.1822766960966544
Energy: 1.2251932649784216
Energy: 1.1822766960966544
Energy: 1.0843256187491639
Energy: 1.10600231766185
Energy: 1.0843256187491639
Energy: 1.1060023176605427
Energy: 1.0843256187491639
Energy: 1.1060023176631577
Energy: 1.1592394810301563
Energy: 1.0579120796384291
Energy: 1.1592394810301563
Energy: 1.0579120796384291
Energy: 1.1592394810301563
Energy: 1.0579120796384291
Energy: 1.1272298490511883
Energy: 1.1108068809863956
Energy: 1.1272298490511883
Energy: 1.110806880987703
Energy: 1.1272298490511883
Energy: 1.1108068809863956
Energy: 1.1031542341040907
Energy: 1.135213424936975
Energy: 1.1031542341040907
Energy: 1.135213424936975
Energy: 1.1031542341040907
Energy: 1.135213424936975
Energy: 1.1204375546008967
Energy: 1.0536243196790689
Energy: 1.1204375546008967
Energy: 1.0536243196790689
Energy: 1.1204375546008967
Energy: 1.0536243196790689
Energy: 1.1708030094815414
Energy: 1.0585733671817583
Energy: 1.170803009482849
Energy: 1.0585733671817583
Energy: 1.170803009482849
Energy: 1.0585733671817583
Energy: 1.1213128314853669
Energy: 1.171480565078339
Energy: 1.1213128314853669
Energy: 1.171480565078339
Energy: 1.1213128314853669
Energy: 1.171480565078339
Energy: 1.1724237571660212
Energy: 1.0586168641913052
Energy: 1.1724237571647138
Energy: 1.0586168641913052
Energy: 1.1724237571647138
Energy: 1.0586168641926126

minimum gb energy = 1.0536243196790689 eV
minimum distance =  2.36001461181945 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.2904919906420294
Energy: 1.482364307506727
Energy: 1.2904919906414551
Energy: 1.4823643075061526
Energy: 1.2904919906420294
Energy: 1.4823643075055783
Energy: 1.3451089710257618
Energy: 1.2419123900841416
Energy: 1.3451089710257618
Energy: 1.241912390083567
Energy: 1.345108971026336
Energy: 1.241912390083567
Energy: 1.3503075083783806
Energy: 1.2532529095839346
Energy: 1.3503075083789553
Energy: 1.2532529095839346
Energy: 1.3503075083783806
Energy: 1.2532529095839346
Energy: 1.2893208089348336
Energy: 1.3656686937576896
Energy: 1.289320808935408
Energy: 1.3656686937571154
Energy: 1.289320808935408
Energy: 1.3656686937576896
Energy: 1.3657736111613679
Energy: 1.2925591974643944
Energy: 1.3657736111607937
Energy: 1.292559197464969
Energy: 1.3657736111607937
Energy: 1.292559197464969
Energy: 1.2495552574670974
Energy: 1.3767231539078169
Energy: 1.2495552574670974
Energy: 1.3767231539083913
Energy: 1.2495552574670974
Energy: 1.3767231539078169
Energy: 1.2670282501939438
Energy: 1.3422265016389223
Energy: 1.267028250194518
Energy: 1.3422265016389223
Energy: 1.2670282501939438
Energy: 1.3422265016389223
Energy: 1.344545296549682
Energy: 1.2413643821945215
Energy: 1.3445452965491078
Energy: 1.2413643821945215
Energy: 1.344545296549682
Energy: 1.2413643821945215
Energy: 1.3548226854183703
Energy: 1.2418730254128296
Energy: 1.3548226854183703
Energy: 1.2418730254128296
Energy: 1.3548226854183703
Energy: 1.2418730254128296
Energy: 1.261813529499225
Energy: 1.366914881786131
Energy: 1.261813529499225
Energy: 1.366914881786131
Energy: 1.261813529499225
Energy: 1.366914881786131
Energy: 1.3812749231060613
Energy: 1.266789198917155
Energy: 1.3812749231066357
Energy: 1.266789198917155
Energy: 1.3812749231060613
Energy: 1.266789198917155
Energy: 1.312945862963131
Energy: 1.3220774529376593
Energy: 1.312945862963131
Energy: 1.322077452937085
Energy: 1.312945862963131
Energy: 1.3220774529376593
Energy: 1.310340687781407
Energy: 1.3450524609001469
Energy: 1.3103406877808328
Energy: 1.3450524609001469
Energy: 1.3103406877808328
Energy: 1.3450524608995724
Energy: 1.377838618775145
Energy: 1.2593541083525355
Energy: 1.3778386187757194
Energy: 1.2593541083531097
Energy: 1.377838618775145
Energy: 1.2593541083525355
Energy: 1.3332139907674203
Energy: 1.280790113036183
Energy: 1.333213990766846
Energy: 1.280790113038481
Energy: 1.3332139907674203
Energy: 1.280790113038481
Energy: 1.259184071492407
Energy: 1.381368837055277
Energy: 1.2591840714918328
Energy: 1.381368837055277
Energy: 1.259184071492407
Energy: 1.381368837055277
Energy: 1.3412289330408653
Energy: 1.2489044808310854
Energy: 1.3412289330408653
Energy: 1.2489044808310854
Energy: 1.341228933040291
Energy: 1.2489044808310854
Energy: 1.2830318702631731
Energy: 1.2974454488303975
Energy: 1.2830318702631731
Energy: 1.2974454488303975
Energy: 1.2830318702631731
Energy: 1.2974454488303975
Energy: 1.2639878282045478
Energy: 1.303811813157962
Energy: 1.2639878282045478
Energy: 1.303811813157962
Energy: 1.2639878282039734
Energy: 1.303811813157962
Energy: 1.3900199555256185
Energy: 1.27342566369198
Energy: 1.390019955525044
Energy: 1.27342566369198
Energy: 1.390019955525044
Energy: 1.2734256636925547
Energy: 1.3095033120026682
Energy: 1.3665253712199354
Energy: 1.3095033120026682
Energy: 1.3665253712199354
Energy: 1.3095033120026682
Energy: 1.3665253712199354
Energy: 1.2817921582718956
Energy: 1.351509228258448
Energy: 1.2817921582730443
Energy: 1.351509228258448
Energy: 1.28179215827247
Energy: 1.351509228258448
Energy: 1.3696430716306192
Energy: 1.2543561761988422
Energy: 1.3696430716306192
Energy: 1.2543561761994164
Energy: 1.3696430716306192
Energy: 1.2543561761994164
Energy: 1.3239121774010871
Energy: 1.2263434306049759
Energy: 1.3239121774010871
Energy: 1.2263434306049759
Energy: 1.3239121774010871
Energy: 1.2263434306049759
Energy: 1.2631951416103144
Energy: 1.337134679577182
Energy: 1.2631951416103144
Energy: 1.337134679577182
Energy: 1.2631951416103144
Energy: 1.3371346795766073
Energy: 1.3460724048647337
Energy: 1.264811833702834
Energy: 1.346072404864159
Energy: 1.264811833702834
Energy: 1.346072404864159
Energy: 1.264811833702834
Energy: 1.2321350527958759
Energy: 1.365328108378508
Energy: 1.2321350527958759
Energy: 1.365328108378508
Energy: 1.2321350527958759
Energy: 1.365328108378508
Energy: 1.2648757441741267
Energy: 1.3263607886167808
Energy: 1.2648757441741267
Energy: 1.326360788616206
Energy: 1.2648757441747014
Energy: 1.3263607886167808
Energy: 1.3361453099902538
Energy: 1.2532321828230946
Energy: 1.3361453099896794
Energy: 1.2532321828230946
Energy: 1.3361453099902538
Energy: 1.2532321828230946
Energy: 1.3265232555617574
Energy: 1.3089271503478166
Energy: 1.3265232555623319
Energy: 1.3089271503472422
Energy: 1.3265232555623319
Energy: 1.3089271503478166
Energy: 1.264074100761288
Energy: 1.3813461554482789
Energy: 1.2640741007607135
Energy: 1.3813461554482789
Energy: 1.2640741007607135
Energy: 1.3813461554482789

minimum gb energy = 1.2263434306049759 eV
minimum distance =  2.28771040261825 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.4542496853785918
Energy: 1.5303725538333939
Energy: 1.4542496853785918
Energy: 1.5303725538333939
Energy: 1.4542496853785918
Energy: 1.5303725538333939
Energy: 1.3731018690566397
Energy: 1.5295286500704708
Energy: 1.3731018690566397
Energy: 1.529528650071493
Energy: 1.3731018690566397
Energy: 1.529528650071493
Energy: 1.4493661716860835
Energy: 1.3343921726655184
Energy: 1.4493661716860835
Energy: 1.3343921726655184
Energy: 1.4493661716860835
Energy: 1.3343921726655184
Energy: 1.4659460123004704
Energy: 1.6520054317404216
Energy: 1.4659460123004704
Energy: 1.4497438516833796
Energy: 1.4659460123004704
Energy: 1.4497438516844017
Energy: 1.4492587571163802
Energy: 1.3345483747034503
Energy: 1.4492587571174023
Energy: 1.3345483747034503
Energy: 1.4492587571174023
Energy: 1.3345483747034503
Energy: 1.3733166451192762
Energy: 1.440741231306084
Energy: 1.3733166451202983
Energy: 1.440741231306084
Energy: 1.3733166451202983
Energy: 1.440741231306084
Energy: 1.4542496853775695
Energy: 1.5303725538344157
Energy: 1.4542496853775695
Energy: 1.5303725538344157
Energy: 1.4542496853775695
Energy: 1.5303725538333939
Energy: 1.3731018690566397
Energy: 1.5295286500704708
Energy: 1.3731018690566397
Energy: 1.529528650071493
Energy: 1.3731018690556176
Energy: 1.5295286500704708
Energy: 1.4493661716860835
Energy: 1.3343921726655184
Energy: 1.4493661716860835
Energy: 1.3343921726655184
Energy: 1.4493661716860835
Energy: 1.3343921726655184
Energy: 1.4659460123014927
Energy: 1.4889682531160486
Energy: 1.4659460123014927
Energy: 1.4889682531150263
Energy: 1.465946012302515
Energy: 1.4889682531150263
Energy: 1.4492587571163802
Energy: 1.3345483747034503
Energy: 1.4492587571163802
Energy: 1.3345483747034503
Energy: 1.4492587571163802
Energy: 1.3345483747034503
Energy: 1.3733166451213203
Energy: 1.4407412313071062
Energy: 1.3733166451213203
Energy: 1.4407412313071062
Energy: 1.3733166451213203
Energy: 1.4407412313071062
Energy: 1.4542496853785918
Energy: 1.5303725538333939
Energy: 1.4542496853785918
Energy: 1.5303725538333939
Energy: 1.4542496853785918
Energy: 1.5303725538333939
Energy: 1.3731018690566397
Energy: 1.529528650071493
Energy: 1.3731018690566397
Energy: 1.5295286500704708
Energy: 1.3731018690566397
Energy: 1.529528650071493
Energy: 1.4493661716850612
Energy: 1.3343921726655184
Energy: 1.4493661716860835
Energy: 1.3343921726655184
Energy: 1.4493661716860835
Energy: 1.3343921726655184
Energy: 1.4659460123004704
Energy: 1.4889682531160486
Energy: 1.4659460123004704
Energy: 1.4889682531150263
Energy: 1.4659460123004704
Energy: 1.4889682531150263
Energy: 1.4492587571163802
Energy: 1.3345483747034503
Energy: 1.4492587571163802
Energy: 1.3345483747034503
Energy: 1.4492587571174023
Energy: 1.3345483747034503

minimum gb energy = 1.3343921726655184 eV
minimum distance =  2.3694023912809 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.5581202236375078
Energy: 1.4090913245787928
Energy: 1.5581202236366731
Energy: 1.4090913245787928
Energy: 1.5581202236366731
Energy: 1.4090913245787928
Energy: 1.4465046279268214
Energy: 1.4095777588522298
Energy: 1.4465046279268214
Energy: 1.4095777588522298
Energy: 1.4465046279268214
Energy: 1.4095777588522298
Energy: 1.428713740708872
Energy: 1.3501573215245573
Energy: 1.4891420123254389
Energy: 1.3501573215237228
Energy: 1.4287137407097066
Energy: 1.3501573215237228
Energy: 1.326846306941114
Energy: 1.4493662013521214
Energy: 1.326846306941114
Energy: 1.449366201351287
Energy: 1.326846306941114
Energy: 1.4493662013521214
Energy: 1.3521120645412938
Energy: 1.4478109020347836
Energy: 1.3521120645404594
Energy: 1.4478109020347836
Energy: 1.3521120645404594
Energy: 1.4478109020347836
Energy: 1.445582324699797
Energy: 1.3246325151403704
Energy: 1.4455823246989623
Energy: 1.3246325151403704
Energy: 1.445582324699797
Energy: 1.3246325151403704
Energy: 1.4850750604288043
Energy: 1.5057104806336032
Energy: 1.4850750604288043
Energy: 1.5057104806327688
Energy: 1.4850750604279697
Energy: 1.5057104806336032
Energy: 1.3833323281955279
Energy: 1.4445868673616937
Energy: 1.3833323281955279
Energy: 1.4445868673616937
Energy: 1.3833323281955279
Energy: 1.4445868673616937
Energy: 1.4339638253673326
Energy: 1.4254664247133038
Energy: 1.4339638253673326
Energy: 1.4254664247133038
Energy: 1.4339638253673326
Energy: 1.4254664247133038
Energy: 1.405452990725034
Energy: 1.4502651760576628
Energy: 1.4054529907258686
Energy: 1.4502651760584975
Energy: 1.4054529907258686
Energy: 1.4502651760584975
Energy: 1.3863573478444382
Energy: 1.4480346720284414
Energy: 1.3863573478444382
Energy: 1.4480346720284414
Energy: 1.3863573478444382
Energy: 1.4480346720284414
Energy: 1.5354396548098614
Energy: 1.4196217885608888
Energy: 1.5354396548098614
Energy: 1.4196217885608888
Energy: 1.5354396548098614
Energy: 1.4196217885608888
Energy: 1.328297625904333
Energy: 1.4282226569342829
Energy: 1.328297625904333
Energy: 1.4282226569351173
Energy: 1.328297625904333
Energy: 1.4282226569351173
Energy: 1.3630805070509948
Energy: 1.4819773927120996
Energy: 1.3630805070509948
Energy: 1.4819773927120996
Energy: 1.3630805070509948
Energy: 1.4819773927120996
Energy: 1.4576052865769646
Energy: 1.4226472529204235
Energy: 1.4576052865769646
Energy: 1.4226472529204235
Energy: 1.4576052865769646
Energy: 1.4226472529204235
Energy: 1.4096075516746893
Energy: 1.4532674014268718
Energy: 1.4096075516746893
Energy: 1.4532674014268718
Energy: 1.4096075516746893
Energy: 1.4532674014268718
Energy: 1.467079887813591
Energy: 1.4353912571240066
Energy: 1.467079887813591
Energy: 1.4353912571240066
Energy: 1.467079887814426
Energy: 1.4353912571240066
Energy: 1.6141759724059708
Energy: 1.3840532488631034
Energy: 1.6141759724059708
Energy: 1.3840532488631034
Energy: 1.6141759724059708
Energy: 1.3840532488631034
Energy: 1.3593555789410932
Energy: 1.419976672111336
Energy: 1.3593555789410932
Energy: 1.4199766721121705
Energy: 1.3593555789410932
Energy: 1.419976672111336
Energy: 1.4032691519874188
Energy: 1.376356177457599
Energy: 1.403269151989088
Energy: 1.3763561774567645
Energy: 1.4032691519882532
Energy: 1.3763561774584339
Energy: 1.5162163134334172
Energy: 1.4176646659958827
Energy: 1.5162163134300788
Energy: 1.4176646659958827
Energy: 1.516216313431748
Energy: 1.4176646659967174

minimum gb energy = 1.3246325151403704 eV
minimum distance =  2.29204062826349 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.5746418088485017
Energy: 1.4392332761394526
Energy: 1.5746418088485017
Energy: 1.439233276140156
Energy: 1.5746418088485017
Energy: 1.4392332761394526
Energy: 1.3905688418974296
Energy: 1.4920172740644475
Energy: 1.3905688418960227
Energy: 1.4920172740644475
Energy: 1.3905688418967264
Energy: 1.4920172740644475
Energy: 1.4453772916780365
Energy: 1.3704607764973604
Energy: 1.4453772916780365
Energy: 1.3704607764973604
Energy: 1.44537729167874
Energy: 1.3704607764966568
Energy: 1.4928118132227945
Energy: 1.4460353845797176
Energy: 1.4928118132227945
Energy: 1.4460353845797176
Energy: 1.492811813222091
Energy: 1.4460353845797176
Energy: 1.490400755569455
Energy: 1.3978814990407957
Energy: 1.4904007555687515
Energy: 1.3978814990407957
Energy: 1.490400755569455
Energy: 1.3978814990414992
Energy: 1.442419553298323
Energy: 1.4927571450873243
Energy: 1.442419553298323
Energy: 1.4927571450873243
Energy: 1.4424195532990267
Energy: 1.4927571450873243
Energy: 1.5082301101266844
Energy: 1.3997704643762268
Energy: 1.5082301101273876
Energy: 1.3997704643783373
Energy: 1.508230110128091
Energy: 1.3997704643762268
Energy: 1.6763004254961262
Energy: 1.6012842693840332
Energy: 1.6763004254968297
Energy: 1.6012842693847367
Energy: 1.6763004254961262
Energy: 1.6012842693840332
Energy: 1.398090387445935
Energy: 1.4926950547758397
Energy: 1.398090387445935
Energy: 1.4926950547751363
Energy: 1.3980903874466384
Energy: 1.4926950547751363
Energy: 1.4924194841164191
Energy: 1.400151553296241
Energy: 1.4924194841171226
Energy: 1.4001515532955375
Energy: 1.4924194841164191
Energy: 1.4001515532955375
Energy: 1.4926542696923788
Energy: 1.4002133380216304
Energy: 1.4926542696923788
Energy: 1.4002133380216304
Energy: 1.492654269693082
Energy: 1.4002133380216304
Energy: 1.3979479646928443
Energy: 1.4926555622860997
Energy: 1.3979479646928443
Energy: 1.4926555622860997
Energy: 1.3979479646928443
Energy: 1.4926555622860997
Energy: 1.6762023960163837
Energy: 1.60129989555285
Energy: 1.6762023960156807
Energy: 1.60129989555285
Energy: 1.676202396017087
Energy: 1.60129989555285
Energy: 1.5082385935458655
Energy: 1.3996866732495068
Energy: 1.5082385935444589
Energy: 1.39968667325021
Energy: 1.508238593545162
Energy: 1.3996866732495068
Energy: 1.4425456325133799
Energy: 1.4929049457096921
Energy: 1.4425456325119728
Energy: 1.4929049457103956
Energy: 1.4425456325126762
Energy: 1.4929049457096921
Energy: 1.4910240400886827
Energy: 1.3977496909173148
Energy: 1.4910240400893864
Energy: 1.3977496909166114
Energy: 1.4910240400893864
Energy: 1.3977496909173148
Energy: 1.4929051462927143
Energy: 1.4459593103428283
Energy: 1.4929051462927143
Energy: 1.4459593103428283
Energy: 1.4929051462927143
Energy: 1.4459593103421249
Energy: 1.445345223861961
Energy: 1.3704813782421892
Energy: 1.4453452238612576
Energy: 1.3704813782421892
Energy: 1.445345223861961
Energy: 1.3704813782421892
Energy: 1.3906630933274757
Energy: 1.4911285827940384
Energy: 1.3906630933274757
Energy: 1.4911285827940384
Energy: 1.3906630933281792
Energy: 1.491128582794742
Energy: 1.5746418088485017
Energy: 1.439233276140156
Energy: 1.5746418088485017
Energy: 1.439233276140156
Energy: 1.5746418088485017
Energy: 1.439233276140156
Energy: 1.3905688418946158
Energy: 1.4920172740644475
Energy: 1.3905688418967264
Energy: 1.4920172740644475
Energy: 1.3905688418946158
Energy: 1.4920172740644475
Energy: 1.4453772916773326
Energy: 1.3704607764973604
Energy: 1.4453772916780365
Energy: 1.3704607764980639
Energy: 1.4453772916780365
Energy: 1.3704607764966568
Energy: 1.4928118132227945
Energy: 1.4460353845797176
Energy: 1.4928118132227945
Energy: 1.4460353845797176
Energy: 1.4928118132227945
Energy: 1.4460353845797176
Energy: 1.4904007555687515
Energy: 1.3978814990414992
Energy: 1.4904007555687515
Energy: 1.3978814990414992
Energy: 1.4904007555687515
Energy: 1.3978814990414992
Energy: 1.4424195532990267
Energy: 1.4927571450873243
Energy: 1.442419553298323
Energy: 1.4927571450873243
Energy: 1.4424195532990267
Energy: 1.4927571450873243

minimum gb energy = 1.3704607764966568 eV
minimum distance =  2.32090301704192 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.520285812804392
Energy: 1.5208663846407249
Energy: 1.520285812804392
Energy: 1.520866384641332
Energy: 1.520285812804392
Energy: 1.520866384641332
Energy: 1.374922064803356
Energy: 1.3852859724385815
Energy: 1.374922064803356
Energy: 1.3852859724385815
Energy: 1.374922064803356
Energy: 1.3852859724385815
Energy: 1.4631849843685742
Energy: 1.370449895919153
Energy: 1.4631849843685742
Energy: 1.3704498959197602
Energy: 1.3958687007503463
Energy: 1.3704498959197602
Energy: 1.424332682116634
Energy: 1.340826744820131
Energy: 1.424332682116634
Energy: 1.340826744820131
Energy: 1.424332682116634
Energy: 1.340826744820131
Energy: 1.3728378754984243
Energy: 1.346664106729136
Energy: 1.3728378754996386
Energy: 1.346664106729136
Energy: 1.3728378754978172
Energy: 1.346664106729136
Energy: 1.3451844734376217
Energy: 1.4809628467481422
Energy: 1.3451844734376217
Energy: 1.4809628467481422
Energy: 1.3451844734376217
Energy: 1.4809628467481422
Energy: 1.3876126329834328
Energy: 1.3941927703945725
Energy: 1.3876126329828253
Energy: 1.3941927703982158
Energy: 1.3876126329828253
Energy: 1.3941927703945725
Energy: 1.3676677758319669
Energy: 1.3961130842840623
Energy: 1.3676677758319669
Energy: 1.3961130842840623
Energy: 1.3676677758319669
Energy: 1.3961130842840623
Energy: 1.472455440492397
Energy: 1.4230503388259617
Energy: 1.4724554404917898
Energy: 1.4230503388259617
Energy: 1.472455440492397
Energy: 1.4230503388259617
Energy: 1.3977561692875362
Energy: 1.3695691417668545
Energy: 1.3977561692875362
Energy: 1.3695691417668545
Energy: 1.3977561692875362
Energy: 1.3695691417668545
Energy: 1.4349187438084383
Energy: 1.4533534772374141
Energy: 1.4349187438084383
Energy: 1.4533534772374141
Energy: 1.4349187438084383
Energy: 1.4533534772374141
Energy: 1.3801066588247968
Energy: 1.4088229995933195
Energy: 1.3801066588247968
Energy: 1.4088229995933195
Energy: 1.3801066588247968
Energy: 1.4088229995933195
Energy: 1.3385394632236243
Energy: 1.4094422589380533
Energy: 1.3385394632236243
Energy: 1.4094422589380533
Energy: 1.3385394632236243
Energy: 1.4094422589380533
Energy: 1.465814826364565
Energy: 1.310331282185397
Energy: 1.465814826364565
Energy: 1.310331282185397
Energy: 1.465814826364565
Energy: 1.3103312821847897
Energy: 1.4242095227538414
Energy: 1.3701526068480276
Energy: 1.424209522753234
Energy: 1.3701526068480276
Energy: 1.424209522753234
Energy: 1.3701526068474206
Energy: 1.4102854439554902
Energy: 1.408531233597523
Energy: 1.4102854439560977
Energy: 1.408531233597523
Energy: 1.4102854439554902
Energy: 1.408531233597523
Energy: 1.4317924234978041
Energy: 1.3746394777349518
Energy: 1.4317924234978041
Energy: 1.3746394777349518
Energy: 1.4317924234978041
Energy: 1.3746394777349518
Energy: 1.4068470174023686
Energy: 1.3848970997568129
Energy: 1.4068470174029761
Energy: 1.3848970997568129
Energy: 1.4068470174023686
Energy: 1.3848970997568129
Energy: 1.4593716592023327
Energy: 1.4637189796587255
Energy: 1.4593716592023327
Energy: 1.4637189796587255
Energy: 1.4593716592023327
Energy: 1.4637189796587255
Energy: 1.3834464077886413
Energy: 1.3803408110927036
Energy: 1.3834464077886413
Energy: 1.3803408110927036
Energy: 1.3834464077886413
Energy: 1.3803408110927036
Energy: 1.365777720884308
Energy: 1.4193675628094873
Energy: 1.365777720884308
Energy: 1.4193675628094873
Energy: 1.365777720884308
Energy: 1.4193675628094873
Energy: 1.4796773915143788
Energy: 1.3702363668714148
Energy: 1.4796773915143788
Energy: 1.3702363668714148
Energy: 1.4796773915143788
Energy: 1.3702363668714148
Energy: 1.3878117843823672
Energy: 1.3782698139131744
Energy: 1.38781178438176
Energy: 1.3782698139131744
Energy: 1.38781178438176
Energy: 1.3782698139131744
Energy: 1.465887638595443
Energy: 1.4429641321521578
Energy: 1.465887638595443
Energy: 1.4429641321521578
Energy: 1.465887638595443
Energy: 1.4429641321521578
Energy: 1.3986433255315465
Energy: 1.3586277867357677
Energy: 1.3986433255315465
Energy: 1.3586277867351604
Energy: 1.3986433255315465
Energy: 1.3586277867351604
Energy: 1.3367022385150704
Energy: 1.3794700109505678
Energy: 1.3367022385150704
Energy: 1.3794700109505678
Energy: 1.3367022385150704
Energy: 1.3794700109505678
Energy: 1.4231860115824688
Energy: 1.349766245655607
Energy: 1.4231860115824688
Energy: 1.3497662456562143
Energy: 1.4231860115824688
Energy: 1.3497662456562143
Energy: 1.4001258703371295
Energy: 1.427237651916149
Energy: 1.4001258703371295
Energy: 1.4272376519167562
Energy: 1.4001258703371295
Energy: 1.4272376519167562
Energy: 1.3857591174102524
Energy: 1.4078420900481003
Energy: 1.3857591174108594
Energy: 1.4078420900481003
Energy: 1.3857591174108594
Energy: 1.4078420900481003

minimum gb energy = 1.3103312821847897 eV
minimum distance =  2.29082938225249 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.3817541232989912
Energy: 1.2929458868303776
Energy: 1.3817541232984574
Energy: 1.2929458868303776
Energy: 1.3817541232989912
Energy: 1.2929458868303776
Energy: 1.3532806443555991
Energy: 1.314710492080016
Energy: 1.3532806443555991
Energy: 1.314710492080016
Energy: 1.353280644356133
Energy: 1.314710492080016
Energy: 1.3025552665458418
Energy: 1.344876123844439
Energy: 1.3025552665463755
Energy: 1.344876123844439
Energy: 1.3025552665463755
Energy: 1.344876123844439
Energy: 1.3055081419159795
Energy: 1.42731771953796
Energy: 1.3055081419159795
Energy: 1.3624198730759651
Energy: 1.3055081419159795
Energy: 1.362419873076499
Energy: 1.2948385728743905
Energy: 1.3007366863332321
Energy: 1.294838572874924
Energy: 1.300736686333766
Energy: 1.2948385728738563
Energy: 1.3007366863332321
Energy: 1.2568440758585158
Energy: 1.3590505514725935
Energy: 1.2568440758585158
Energy: 1.3590505514720597
Energy: 1.2568440758585158
Energy: 1.3590505514720597
Energy: 1.3142369576916941
Energy: 1.3604957618168336
Energy: 1.3142369576911601
Energy: 1.3604957618168336
Energy: 1.3142369576916941
Energy: 1.3604957618130973
Energy: 1.30963172635036
Energy: 1.3921267338526941
Energy: 1.3096317263498265
Energy: 1.4513092190892045
Energy: 1.3096317263508936
Energy: 1.2998248505344627
Energy: 1.343745812886546
Energy: 1.3596758657368202
Energy: 1.3437458128870796
Energy: 1.3596758657368202
Energy: 1.3437458128870796
Energy: 1.3596758657368202
Energy: 1.2931073660091452
Energy: 1.369036229346878
Energy: 1.2931073660091452
Energy: 1.369036229346878
Energy: 1.2931073660091452
Energy: 1.2960417862774547
Energy: 1.305505323599879
Energy: 1.5477529184574428
Energy: 1.305505323599879
Energy: 1.5477529184574428
Energy: 1.3055053236004126
Energy: 1.547752918456909
Energy: 1.3801270546012974
Energy: 1.3260278171033346
Energy: 1.3801270546012974
Energy: 1.3260278171033346
Energy: 1.3801270546012974
Energy: 1.3148894046231754
Energy: 1.272050958493248
Energy: 1.3188476399980162
Energy: 1.2720509584937818
Energy: 1.3188476399980162
Energy: 1.272050958492714
Energy: 1.3188476399980162
Energy: 1.3819043849310553
Energy: 1.3182004888809071
Energy: 1.3819043849310553
Energy: 1.446805470532229
Energy: 1.3819043849310553
Energy: 1.446805470531695
Energy: 1.3534175890979825
Energy: 1.3150550903672653
Energy: 1.3534175890979825
Energy: 1.3150550903672653
Energy: 1.3534175890985163
Energy: 1.3150550903677989
Energy: 1.299461537934238
Energy: 1.3451278003045313
Energy: 1.299461537934238
Energy: 1.3451278003045313
Energy: 1.299461537934238
Energy: 1.3451278003045313
Energy: 1.28981888382839
Energy: 1.3997288857560968
Energy: 1.2898188838278564
Energy: 1.399728885755563
Energy: 1.2898188838278564
Energy: 1.399728885755563
Energy: 1.3095566919878192
Energy: 1.2940691332123753
Energy: 1.309556691988353
Energy: 1.2940691332123753
Energy: 1.3095566919878192
Energy: 1.2940691332123753
Energy: 1.2572158941159552
Energy: 1.3596519262644577
Energy: 1.2572158941159552
Energy: 1.3596519262644577
Energy: 1.2572158941154217
Energy: 1.3596519262644577
Energy: 1.3288653048325028
Energy: 1.2891314101324889
Energy: 1.3288653048341041
Energy: 1.2891314101330227
Energy: 1.3288653048341041
Energy: 1.2891314101330227
Energy: 1.2959361336049937
Energy: 1.4507873786880932
Energy: 1.2959361336055277
Energy: 1.4507873786880932
Energy: 1.2959361336055277
Energy: 1.4507873786880932
Energy: 1.3969593433629512
Energy: 1.338224506111884
Energy: 1.3969593433624172
Energy: 1.338224506111884
Energy: 1.3969593433624172
Energy: 1.338224506111884
Energy: 1.3862090461362773
Energy: 1.3242376642903362
Energy: 1.3862090461357437
Energy: 1.3242376642903362
Energy: 1.3862090461357437
Energy: 1.3242376642903362
Energy: 1.3056326818870265
Energy: 1.4458087578789882
Energy: 1.3056326818875603
Energy: 1.4458087578789882
Energy: 1.3056326818875603
Energy: 1.4458087578784546
Energy: 1.3241997124193796
Energy: 1.3131606198807089
Energy: 1.3241997124183122
Energy: 1.3131606198807089
Energy: 1.3241997124183122
Energy: 1.3131606198807089
Energy: 1.26930108581835
Energy: 1.345079065138804
Energy: 1.26930108581835
Energy: 1.345079065138804
Energy: 1.2693010858188836
Energy: 1.345079065138804
Energy: 1.3634811585224034
Energy: 1.3509819762883617
Energy: 1.363481158521336
Energy: 1.3509819762883617
Energy: 1.3634811585229374
Energy: 1.3509819762883617
Energy: 1.344540943578533
Energy: 1.3142407493457686
Energy: 1.344540943579067
Energy: 1.3142407493463024
Energy: 1.344540943578533
Energy: 1.314240749345235
Energy: 1.521795767769991
Energy: 1.3703525927647278
Energy: 1.5217957677705247
Energy: 1.3703525927647278
Energy: 1.5217957677705247
Energy: 1.3703525927647278
Energy: 1.281887599914527
Energy: 1.3234367742908337
Energy: 1.281887599914527
Energy: 1.3234367742913673
Energy: 1.281887599914527
Energy: 1.3234367742908337
Energy: 1.3047657405430897
Energy: 1.3013762273950502
Energy: 1.3047657405425555
Energy: 1.3013762273955838
Energy: 1.3047657405430897
Energy: 1.3013762273955838
Energy: 1.357796550648409
Energy: 1.338151578042075
Energy: 1.357796550648409
Energy: 1.3381515780426085
Energy: 1.3577965506478755
Energy: 1.3381515780426085
Energy: 1.360321175498612
Energy: 1.3244071799297152
Energy: 1.360321175498612
Energy: 1.3244071799297152
Energy: 1.3603211754980782
Energy: 1.3244071799297152

minimum gb energy = 1.2568440758585158 eV
minimum distance =  2.29926717152095 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015488274783382789
Energy: 0.969898072138713
Energy: 0.015488274783382789
Energy: 0.9698980721382696
Energy: 0.015488274783801654
Energy: 0.9698980721382696
Energy: 0.016202786708335443
Energy: 0.2833850687154965
Energy: 0.016202786708335443
Energy: 0.28338506871505303
Energy: 0.01620278670877895
Energy: 0.2833850687154965
Energy: 0.9700948782489077
Energy: 0.2832047921037761
Energy: 0.9701620750469552
Energy: 0.2832047881034025
Energy: 0.9701038410732252
Energy: 0.2832047893747367
Energy: 0.016202786708335443
Energy: 0.2833850687154965
Energy: 0.016202786708335443
Energy: 0.2833850687154965
Energy: 0.016202786707916576
Energy: 0.2833850687154965

minimum gb energy = 0.015488274783382789 eV
minimum distance =  2.54791424932319 Angstroms
sigma value = 1