Model name: model_name=EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082748413087
cohesive_energy=3.3602642540094405
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.011810530047377194
Energy: 0.18679363526350612
Energy: 0.18679363526350612
Energy: 0.011810530048539124
Energy: 0.18679363526350612
Energy: 0.18679363526350612
Energy: 0.011810530047377194
Energy: 0.18679363526350612
Energy: 0.18679363526350612
Energy: 0.011810530048539124
Energy: 0.18601566192061353
Energy: 0.012361618388490798
Energy: 0.769383304574021
Energy: 0.18601566192177546
Energy: 0.012361618388490798
Energy: 0.769383304574021
Energy: 0.18601566192061353
Energy: 0.012361618388490798
Energy: 0.769383304574021
Energy: 0.18601566192177546
Energy: 0.18601566192177546
Energy: 0.012726442141615262
Energy: 0.012726442141615262
Energy: 0.012726442141615262
Energy: 0.012726442140453336
Energy: 0.012726442140453336
Energy: 0.012726442140453336
Energy: 0.012726442141615262
Energy: 0.2453077769118487
Energy: 0.2453077769118487
Energy: 0.18601566192177546
Energy: 0.769383304574021
Energy: 0.012361618387328868
Energy: 0.18601566192177546
Energy: 0.769383304575183
Energy: 0.012361618388490798
Energy: 0.18601566192177546
Energy: 0.769383304574021
Energy: 0.012361618387328868
Energy: 0.1860156619229374
Energy: 0.011810530046215267
Energy: 0.1867936352623442
Energy: 0.1867936352623442
Energy: 0.011810530046215267
Energy: 0.1867936352623442
Energy: 0.18679363526350612
Energy: 0.011810530046215267
Energy: 0.18679363526350612
Energy: 0.1867936352623442
Energy: 0.011810530046215267
Energy: 0.18601566192177546
Energy: 0.012361618388490798
Energy: 0.769383304575183
Energy: 0.18601566192177546
Energy: 0.012361618388490798
Energy: 0.769383304575183
Energy: 0.18601566192177546
Energy: 0.012361618388490798
Energy: 0.769383304575183
Energy: 0.18601566192177546
Energy: 0.18601566192177546
Energy: 0.012726442140453336
Energy: 0.012726442140453336
Energy: 0.012726442140453336
Energy: 0.012726442141615262
Energy: 0.012726442141615262
Energy: 0.012726442141615262
Energy: 0.012726442140453336
Energy: 0.2453077769118487
Energy: 0.2453077769118487

minimum gb energy = 0.011810530046215267 eV
minimum distance =  2.66856962972638 Angstroms
sigma value = 3


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

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Energy: 0.6196265220247863
Energy: 0.5923812500951937
Energy: 0.4493342319185062
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Energy: 0.48553131151099804
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Energy: 0.4493342319190755
Energy: 0.5311681228266089
Energy: 0.4641826547432502
Energy: 0.5669832202827234
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Energy: 0.5673440342850408
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Energy: 0.4282137127808689
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Energy: 0.486545863337542
Energy: 0.473397093514339
Energy: 0.6196265220227939
Energy: 0.5923812500960475
Energy: 0.44933423191879085
Energy: 0.6196265220199478
Energy: 0.5923812500974707
Energy: 0.47339709351860826
Energy: 0.6196265220210863
Energy: 0.5923812500954783
Energy: 0.4493342319185062
Energy: 0.5311681228271781
Energy: 0.464182654742681
Energy: 0.566983220283008
Energy: 0.5311681228251859
Energy: 0.4641826547441041
Energy: 0.5669832202798772
Energy: 0.5311681228274627
Energy: 0.4641826547418271
Energy: 0.5669832202818695
Energy: 0.5311681228291705
Energy: 0.5451936711683082
Energy: 0.5740494762748868
Energy: 0.5822773898205351
Energy: 0.5451737489315086
Energy: 0.5740494762723252
Energy: 0.5822773898558012
Energy: 0.5451936711671698
Energy: 0.5740494762734636
Energy: 0.5822773898196812
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Energy: 0.6193260863677186
Energy: 0.44930038145401197
Energy: 0.605424213701997
Energy: 0.6193260863680031
Energy: 0.44930038145571966
Energy: 0.6054242137042739

minimum gb energy = 0.4282137127808689 eV
minimum distance =  2.55918061662225 Angstroms
sigma value = 75


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

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Energy: 0.47108593180262454
Energy: 0.4710597921575951
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minimum gb energy = 0.4700832686353135 eV
minimum distance =  2.57755055861504 Angstroms
sigma value = 105


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

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Energy: 0.4734790363001574
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Energy: 0.4880757936016435
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Energy: 0.5150938629642633
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Energy: 0.499913933091664
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Energy: 0.5159213931427926
Energy: 0.4999139330890148
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Energy: 0.4728928647174929
Energy: 0.5425710901262869
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Energy: 0.47289286471965786
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Energy: 0.528054902489737
Energy: 0.47289286471809117
Energy: 0.5425710901289361
Energy: 0.5280549024922153
Energy: 0.4728928647166953
Energy: 0.5042933957341432
Energy: 0.5171325495184769
Energy: 0.48368212567914687
Energy: 0.5042933957343142
Energy: 0.5171175108012684
Energy: 0.4836821256763268
Energy: 0.5042933957340009
Energy: 0.5171325495181636
Energy: 0.483682125678976
Energy: 0.5042933957366501
Energy: 0.4904976545103795
Energy: 0.5182957826461205
Energy: 0.5460288416721011
Energy: 0.4904976545105504
Energy: 0.5181897687554604
Energy: 0.5460288416733546
Energy: 0.4904976545122596
Energy: 0.518295782646434
Energy: 0.5460288416741237
Energy: 0.4904976545122596
Energy: 0.5161887989410606
Energy: 0.49404470484456475
Energy: 0.5018807140799363
Energy: 0.5161887989424564
Energy: 0.4940447048456757
Energy: 0.5018807140774296
Energy: 0.5161887989443364
Energy: 0.49404470484456475
Energy: 0.5018807140799363
Energy: 0.5161887989437098
Energy: 0.4949970464047658
Energy: 0.5356777897343983
Energy: 0.5070531283553874
Energy: 0.49499704640396824
Energy: 0.5354830458944021
Energy: 0.5070531283535074
Energy: 0.4949970464047658
Energy: 0.5356777897334584
Energy: 0.5070531283546182
Energy: 0.4949970464057058
Energy: 0.5354664867988151
Energy: 0.5264190038023928
Energy: 0.5567591485523301
Energy: 0.535466486797875
Energy: 0.5262995069018699
Energy: 0.5567591485537543
Energy: 0.5354664867992708
Energy: 0.5264190038039596
Energy: 0.5567591485551502
Energy: 0.5354664868000685
Energy: 0.5509701953071288
Energy: 0.47276960650726535
Energy: 0.520548415448405
Energy: 0.5509701953061887
Energy: 0.4727732770239986
Energy: 0.5205484154477782
Energy: 0.5509701953044511
Energy: 0.47276960651119654
Energy: 0.520548415448234
Energy: 0.5509701953044511

minimum gb energy = 0.47236661576432754 eV
minimum distance =  2.54056642952924 Angstroms
sigma value = 165


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

Energy: 0.47743038556630374
Energy: 0.47081871871225756
Energy: 0.47052553434255007
Energy: 0.45424236780949634
Energy: 0.47081871871225756
Energy: 0.47052553434255007
Energy: 0.47743038556630374
Energy: 0.47081871871333325
Energy: 0.47052553434255007
Energy: 0.45424236780949634
Energy: 0.5377343491474714
Energy: 0.48716806906425536
Energy: 0.5499716350682481
Energy: 0.5377343491485471
Energy: 0.48716806906425536
Energy: 0.5499716350693238
Energy: 0.5377343491501608
Energy: 0.48716806906586896
Energy: 0.5499716350660967
Energy: 0.5377343491474714
Energy: 0.450297517997137
Energy: 0.44142420256312964
Energy: 0.4584432572980896
Energy: 0.4502975179987506
Energy: 0.4414242025674326
Energy: 0.4587798322963677
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Energy: 0.45844325729862745
Energy: 0.4502975179987506
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Energy: 0.5282453567470906
Energy: 0.45872852452955143
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Energy: 0.5247057169877061
Energy: 0.5282453567444012
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Energy: 0.45769048140964746
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Energy: 0.4659529685265431
Energy: 0.4547436363037225
Energy: 0.5217512295178924
Energy: 0.5036488719076939
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Energy: 0.5036488719076939
Energy: 0.45474363630426035
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Energy: 0.4550467347293569
Energy: 0.4643250652165006
Energy: 0.4829927722587331
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Energy: 0.4547343602606504
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Energy: 0.5576361949294716
Energy: 0.45478406928045867
Energy: 0.4829927722576573
Energy: 0.5576361949283959
Energy: 0.454734360262264
Energy: 0.4829927722587331
Energy: 0.506673789711339
Energy: 0.5035328132469472
Energy: 0.5372371095761296
Energy: 0.484524900509235
Energy: 0.5035328132480229
Energy: 0.5372371095755917
Energy: 0.5066737897086497
Energy: 0.5035328132485608
Energy: 0.5372371095745159
Energy: 0.4845249005108486
Energy: 0.4645798145076865
Energy: 0.457323057156524
Energy: 0.4765867089183335
Energy: 0.4420590226286488
Energy: 0.45732305715544835
Energy: 0.436585225015331
Energy: 0.46457981450822433
Energy: 0.457323057156524
Energy: 0.4765867089188714
Energy: 0.44205902262649727
Energy: 0.5044545680666906
Energy: 0.4586360774639899
Energy: 0.5128160650384798
Energy: 0.504454568065615
Energy: 0.4586360774634519
Energy: 0.5128160650395555
Energy: 0.5044545680661529
Energy: 0.45863607746506546
Energy: 0.5128160650384798
Energy: 0.5044545680672285
Energy: 0.470427258029793
Energy: 0.45902163572878096
Energy: 0.4678259957866869
Energy: 0.4704272580314066
Energy: 0.45902163573039456
Energy: 0.4678259957915277
Energy: 0.47042725803033086
Energy: 0.45902163573093246
Energy: 0.4678259958017472
Energy: 0.47042725802925517
Energy: 0.5166142354360431
Energy: 0.5124796112170796
Energy: 0.45630762020349175
Energy: 0.5166142354360431
Energy: 0.5124796112138524
Energy: 0.45630762020241605
Energy: 0.5166142354344294
Energy: 0.5124796112138524
Energy: 0.45630762020241605
Energy: 0.5166142354355052
Energy: 0.4542423678073449
Energy: 0.4708187187117197
Energy: 0.47052553434201233
Energy: 0.454242367806807
Energy: 0.47081871871118175
Energy: 0.4705255343441637
Energy: 0.4542423678073449
Energy: 0.4708187187127954
Energy: 0.4705255343404231
Energy: 0.45424236780626914

minimum gb energy = 0.436585225015331 eV
minimum distance =  2.6329230371628 Angstroms
sigma value = 41


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

Energy: 0.5122932552218253
Energy: 0.43747975038351333
Energy: 0.42842224826664516
Energy: 0.4622773939924806
Energy: 0.4374797503843481
Energy: 0.42842224826998415
Energy: 0.512293255221408
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Energy: 0.42505281271380674
Energy: 0.4267588525290547
Energy: 0.532627328352989
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Energy: 0.45658763222345866
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Energy: 0.42536718185358463
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Energy: 0.43373432100585985
Energy: 0.45658763221469373
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Energy: 0.3951168451175984
Energy: 0.41815240299697526
Energy: 0.3956116398793013
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Energy: 0.41822784145556713
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Energy: 0.4615315182844946
Energy: 0.42781137846061745
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Energy: 0.4615315182809279
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Energy: 0.4515224166528872
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Energy: 0.4018417161889972
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Energy: 0.39463039802469896
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Energy: 0.39983114479209025
Energy: 0.4231379575485752
Energy: 0.4222214847494944
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Energy: 0.42308741229906416
Energy: 0.4222967788062991
Energy: 0.39983114478958603
Energy: 0.4231379575508897
Energy: 0.4222214847536682
Energy: 0.3998311447902311
Energy: 0.4101986555534574
Energy: 0.41865855958918713
Energy: 0.3955912271602893
Energy: 0.410198655553647
Energy: 0.41873691463925933
Energy: 0.3955912271611241
Energy: 0.41019865555531654
Energy: 0.41865855958478565
Energy: 0.3955912271575953
Energy: 0.41019865555679635
Energy: 0.4115482470891767
Energy: 0.4173752792343638
Energy: 0.3962620722819872
Energy: 0.41154824708894905
Energy: 0.41716713808805206
Energy: 0.3962620722855539
Energy: 0.4115482470927054
Energy: 0.417375279236868
Energy: 0.3962620722822149
Energy: 0.4115482470933504
Energy: 0.439815511274948
Energy: 0.4176955595562688
Energy: 0.4123447456517228
Energy: 0.4398155112766175
Energy: 0.4176955595537646
Energy: 0.41234474564944623
Energy: 0.43981551127786955
Energy: 0.41769555955687593
Energy: 0.41234474565005325
Energy: 0.43981551127517565

minimum gb energy = 0.3866935817217831 eV
minimum distance =  2.57708452057392 Angstroms
sigma value = 185


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

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Energy: 0.2421059514115039
Energy: 0.24191167583731715
Energy: 0.18565937827955853
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Energy: 0.251020347665712
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Energy: 0.22130511131081224
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Energy: 0.247068600720316
Energy: 0.28188769600413344
Energy: 0.24179353186399466
Energy: 0.22130511131155536
Energy: 0.29542336874970476
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Energy: 0.24706860072006825
Energy: 0.24900388055094286
Energy: 0.23481126306424802
Energy: 0.24929910976234562
Energy: 0.20717453523477794
Energy: 0.20546329100273217
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Energy: 0.24900388054997444
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Energy: 0.249299109763314
Energy: 0.20717453523601653
Energy: 0.2892862840166473
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Energy: 0.24991379883860093
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Energy: 0.24991379884182136
Energy: 0.289286284015161
Energy: 0.3447677522022807
Energy: 0.24991379883637138
Energy: 0.2750087353828562

minimum gb energy = 0.18476417982749846 eV
minimum distance =  2.63038578044579 Angstroms
sigma value = 33


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

Energy: 0.39516931405984956
Energy: 0.4060817402207727
Energy: 0.4060961278580604
Energy: 0.38447405149584707
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Energy: 0.40568697344779314
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Energy: 0.4128492791736109
Energy: 0.3917883030797746
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Energy: 0.421260306313038
Energy: 0.36209278909344694
Energy: 0.40882712807442395
Energy: 0.4212603063089582
Energy: 0.362092789092087

minimum gb energy = 0.3463408484255376 eV
minimum distance =  2.55272174336775 Angstroms
sigma value = 219


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

Energy: 0.4194304598682367
Energy: 0.49583458625594
Energy: 0.49574586261068504
Energy: 0.4194304598673366
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Energy: 0.419493507360096
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Energy: 0.4956131662227962
Energy: 0.419493507360096
Energy: 0.5233913649461545
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Energy: 0.419493507360096
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Energy: 0.49561316622189616
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Energy: 0.49932265983977986
Energy: 0.5168294833915809
Energy: 0.4952333179326763
Energy: 0.4993226598388798
Energy: 0.5168294833933809

minimum gb energy = 0.41227350086403014 eV
minimum distance =  2.62576240863688 Angstroms
sigma value = 15


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

Energy: 0.5036883792817581
Energy: 0.572532718922492
Energy: 0.5724604438230353
Energy: 0.5036883792817581
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Energy: 0.5112676213868965
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Energy: 0.49378813817494915
Energy: 0.4972492438748299
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minimum gb energy = 0.4803522237583414 eV
minimum distance =  2.57522625289031 Angstroms
sigma value = 293


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

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Energy: 0.5465061310855945
Energy: 0.49907268301112595
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Energy: 0.5465061310853913
Energy: 0.49028078972314243
Energy: 0.5527153428874007
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Energy: 0.5527153428863842
Energy: 0.564439644153236
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Energy: 0.5493207505556079
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Energy: 0.492242715671443
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Energy: 0.5071099870287062
Energy: 0.5779918990477031
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Energy: 0.5071099870274866
Energy: 0.5779918990489229
Energy: 0.4853661109887154
Energy: 0.5071099870270799
Energy: 0.5779918990507527
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Energy: 0.5071099870272832
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Energy: 0.4856466487596993
Energy: 0.4917560610112078
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Energy: 0.49175606101466385
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Energy: 0.5369817494277246
Energy: 0.5428169880648636
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Energy: 0.5345131490336633
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Energy: 0.5403251129041553
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Energy: 0.5315891042804135
Energy: 0.5403251129037486
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Energy: 0.5315891042806169
Energy: 0.5403251129017157
Energy: 0.4905230598682411
Energy: 0.5315891042808202
Energy: 0.5403251129017157
Energy: 0.48759891487863205
Energy: 0.5138410157953727
Energy: 0.487481619174194
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Energy: 0.502368731108955
Energy: 0.4874816191717544
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Energy: 0.4875989148749727
Energy: 0.5068967560188067
Energy: 0.4852330054878612
Energy: 0.6396900640319113
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Energy: 0.4968901893600654
Energy: 0.5488219834303242
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Energy: 0.4968901893608786
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Energy: 0.567887611104144
Energy: 0.49689018936047197
Energy: 0.5488219834301209
Energy: 0.5678876111057704
Energy: 0.5558293789534313
Energy: 0.538840591960623
Energy: 0.5194984466517849
Energy: 0.5558293789524148
Energy: 0.5388405919612329
Energy: 0.5194571298248627
Energy: 0.5558293789518048
Energy: 0.5388405919612329
Energy: 0.5194984466513782
Energy: 0.5558293789534313
Energy: 0.48999915872957606
Energy: 0.5655600806152369
Energy: 0.5582244378679045
Energy: 0.489999158728763
Energy: 0.5655600806132038
Energy: 0.5582244378654836
Energy: 0.4899991587307958
Energy: 0.5655600806138138
Energy: 0.5582244378672947
Energy: 0.4899991587307958
Energy: 0.5465061310857978
Energy: 0.49907268300807656
Energy: 0.49895350298087626
Energy: 0.5465061310870176
Energy: 0.49907268300888974
Energy: 0.4989535029812829
Energy: 0.5465061310853913
Energy: 0.4990726830092963
Energy: 0.4989535029804697
Energy: 0.5465061310853913
Energy: 0.49028078972436223
Energy: 0.5527153428869941
Energy: 0.564439644153236
Energy: 0.4902807897241589
Energy: 0.5527153428882139
Energy: 0.5644396441501865
Energy: 0.49028078972293915
Energy: 0.552715342886181
Energy: 0.5644396441540492
Energy: 0.4902807897227358
Energy: 0.5493207505545914
Energy: 0.5192699560486499
Energy: 0.5445734636381337
Energy: 0.5493207505525584
Energy: 0.5192699560482433
Energy: 0.5445734636381337
Energy: 0.5493207505517452
Energy: 0.5192699560456004
Energy: 0.5445734636395567
Energy: 0.5493207505525584
Energy: 0.5721073727740167
Energy: 0.5550042998077562
Energy: 0.4921729219485072
Energy: 0.5721073727744233
Energy: 0.5550042998091793
Energy: 0.4921665954185023
Energy: 0.5721073727722056
Energy: 0.5550042998083661
Energy: 0.49217292194403467
Energy: 0.5721073727724089
Energy: 0.5071099870280964
Energy: 0.5779918990466867
Energy: 0.48536611098627586
Energy: 0.5071099870266733
Energy: 0.5779918990474999
Energy: 0.48536611098790217
Energy: 0.5071099870254535
Energy: 0.577991899050346
Energy: 0.4853661109860725
Energy: 0.5071099870262666

minimum gb energy = 0.4852330054862348 eV
minimum distance =  2.58707945963379 Angstroms
sigma value = 293


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

Energy: 0.49370437973809295
Energy: 0.49435083082619014
Energy: 0.4941582645081921
Energy: 0.4937043797377256
Energy: 0.49435083082508785
Energy: 0.494158264508927
Energy: 0.49370437973735803
Energy: 0.49435083082508785
Energy: 0.4941582645085596
Energy: 0.4937043797377256
Energy: 0.4938286097674712
Energy: 0.4939553137434957
Energy: 0.49461105130698424
Energy: 0.4938286097637969
Energy: 0.49395531374386314
Energy: 0.4946110513029425
Energy: 0.4938286097652666
Energy: 0.4939553137434957
Energy: 0.4946110513051471
Energy: 0.4938286097634294
Energy: 0.4937449228517496
Energy: 0.4939484412519176
Energy: 0.5335565772762019
Energy: 0.4937449228513821
Energy: 0.4939484412519176
Energy: 0.5331431274512052
Energy: 0.4937449228524844
Energy: 0.4939484412522851
Energy: 0.5331587936684399
Energy: 0.4937449228510147
Energy: 0.5335900495626034
Energy: 0.4937643004891563
Energy: 0.4937816459003356
Energy: 0.5335678841458195
Energy: 0.49376430048952386
Energy: 0.4937816459018053
Energy: 0.5333084059644887
Energy: 0.4937643004865843
Energy: 0.4937816459018053
Energy: 0.5332713594379024
Energy: 0.49441243064560236
Energy: 0.4939503250622511
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Energy: 0.49441243064486745
Energy: 0.4939503250611489
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Energy: 0.4939503250626186
Energy: 0.4940427317717005
Energy: 0.49441243064486745
Energy: 0.49435083082692494
Energy: 0.4941582645081921
Energy: 0.49370437973699066
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Energy: 0.49415826450782474
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Energy: 0.49370437973735803
Energy: 0.4943508308254552
Energy: 0.49395531374386314
Energy: 0.4946110513036774
Energy: 0.49382860976563403
Energy: 0.4939553137434957
Energy: 0.4946110513051471
Energy: 0.4938286097671038
Energy: 0.49395531374386314
Energy: 0.4946110513036774
Energy: 0.4938286097645317
Energy: 0.4939553137434957
Energy: 0.4939484412522851
Energy: 0.5331496663864927
Energy: 0.493744922852117
Energy: 0.49394844125081533
Energy: 0.5331528844862052
Energy: 0.4937449228510147
Energy: 0.49394844125338744
Energy: 0.5330241676637453
Energy: 0.493744922852117
Energy: 0.4939484412519176
Energy: 0.4937643004865843
Energy: 0.4937816459029076
Energy: 0.533214787746804
Energy: 0.4937643004876866
Energy: 0.4937816459018053
Energy: 0.5332130026118058
Energy: 0.4937643004884215
Energy: 0.4937816459040099
Energy: 0.5331113015431229
Energy: 0.4937643004869518
Energy: 0.4939503250611489
Energy: 0.494042731771333
Energy: 0.4944124306445001
Energy: 0.4939503250622511
Energy: 0.49404273177353764
Energy: 0.49441243064376517
Energy: 0.4939503250615163
Energy: 0.4940427317698633
Energy: 0.49441243064486745
Energy: 0.4939503250622511
Energy: 0.4941582645085596
Energy: 0.49370437973735803
Energy: 0.49435083082619014
Energy: 0.4941582645081921
Energy: 0.4937043797391953
Energy: 0.4943508308280273
Energy: 0.4941582645085596
Energy: 0.49370437973809295
Energy: 0.49435083082692494
Energy: 0.4941582645085596
Energy: 0.4946110513073517
Energy: 0.4938286097630619
Energy: 0.49395531374386314
Energy: 0.49461105130184013
Energy: 0.4938286097674712
Energy: 0.4939553137434957
Energy: 0.4946110513029425
Energy: 0.49382860976636894
Energy: 0.49395531374386314
Energy: 0.4946110513051471
Energy: 0.5331679986424496
Energy: 0.4937449228513821
Energy: 0.4939484412526525
Energy: 0.5331567848593999
Energy: 0.4937449228524844
Energy: 0.49394844125301995
Energy: 0.5330140635304667
Energy: 0.4937449228510147
Energy: 0.49394844125301995
Energy: 0.5330103637054016
Energy: 0.49378164590143786
Energy: 0.533108998096375
Energy: 0.4937643004865843
Energy: 0.49378164590217266
Energy: 0.5333112862288443
Energy: 0.4937643004876866
Energy: 0.49378164590217266
Energy: 0.5335192390959709
Energy: 0.49376430048878894
Energy: 0.49378164590217266
Energy: 0.494042731771333
Energy: 0.49441243064303025
Energy: 0.4939503250615163
Energy: 0.4940427317746399
Energy: 0.49441243064303025
Energy: 0.4939503250622511
Energy: 0.4940427317746399
Energy: 0.49441243064376517
Energy: 0.4939503250611489
Energy: 0.4940427317728028
Energy: 0.49370437973735803
Energy: 0.49435083082655756
Energy: 0.49415826450782474
Energy: 0.49370437973699066
Energy: 0.49435083082508785
Energy: 0.49415826450929445
Energy: 0.4937043797384604
Energy: 0.49435083082655756
Energy: 0.4941582645081921
Energy: 0.4937043797377256
Energy: 0.49382860976783866
Energy: 0.4939553137434957
Energy: 0.4946110513044122
Energy: 0.4938286097660015
Energy: 0.49395531374386314
Energy: 0.4946110513066168
Energy: 0.49382860976967585
Energy: 0.4939553137434957
Energy: 0.4946110513051471
Energy: 0.49382860976783866
Energy: 0.4937449228510147
Energy: 0.49394844125155024
Energy: 0.5331700954293422
Energy: 0.4937449228517496
Energy: 0.4939484412519176
Energy: 0.5331561260365085
Energy: 0.4937449228502797
Energy: 0.4939484412526525
Energy: 0.5331511026911633
Energy: 0.4937449228513821
Energy: 0.5331128756785727
Energy: 0.4937643004891563
Energy: 0.4937816459029076
Energy: 0.5331722383601016
Energy: 0.4937643004869518
Energy: 0.4937816459025402
Energy: 0.5332176672248347
Energy: 0.4937643004865843
Energy: 0.4937816459025402
Energy: 0.5336209392765832
Energy: 0.4944124306426629
Energy: 0.4939503250622511
Energy: 0.4940427317717005
Energy: 0.49441243064486745
Energy: 0.4939503250611489
Energy: 0.4940427317720679
Energy: 0.4944124306459698
Energy: 0.4939503250622511
Energy: 0.4940427317731702
Energy: 0.4944124306452349
Energy: 0.49435083082765985
Energy: 0.49415826450966194
Energy: 0.49370437973809295
Energy: 0.49435083082655756
Energy: 0.4941582645081921
Energy: 0.49370437973735803
Energy: 0.49435083082692494
Energy: 0.494158264508927
Energy: 0.4937043797384604
Energy: 0.4943508308272924
Energy: 0.49395531374386314
Energy: 0.4946110513036774
Energy: 0.49382860977114557
Energy: 0.4939553137434957
Energy: 0.4946110513033099
Energy: 0.49382860976636894
Energy: 0.49395531374386314
Energy: 0.4946110513040448
Energy: 0.4938286097641643
Energy: 0.4939553137434957

minimum gb energy = 0.49370437973699066 eV
minimum distance =  2.61038478755882 Angstroms
sigma value = 15


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

Energy: 0.5495565235668609
Energy: 0.5932872581610353
Energy: 0.5575067143704432
Energy: 0.5433174071661128
Energy: 0.5932872581543731
Energy: 0.5575067143704432
Energy: 0.5495565235685264
Energy: 0.5932872581510419
Energy: 0.5575067143704432
Energy: 0.5433174071661128
Energy: 0.5596787480804905
Energy: 0.5236960511385576
Energy: 0.5388487924823533
Energy: 0.5596787480771593
Energy: 0.5236960511335911
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Energy: 0.559678748082156
Energy: 0.5236960511335911
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Energy: 0.5596787480738281
Energy: 0.529453440132068
Energy: 0.5429476872553798
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Energy: 0.5821891131259154
Energy: 0.5294534401287367
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Energy: 0.5119029227421183
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Energy: 0.5119029227371216
Energy: 0.5432683619170638
Energy: 0.5059607469314776
Energy: 0.5119029227454495
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Energy: 0.5825817536444163
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Energy: 0.5781801063014398
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Energy: 0.538364719759197
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Energy: 0.5139348797511912
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Energy: 0.5139348797478601
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Energy: 0.5567513183373226
Energy: 0.5122099707227805
Energy: 0.5416469206714876
Energy: 0.5567513183422891
Energy: 0.5635393836028582
Energy: 0.509637289599413
Energy: 0.5878802019739434
Energy: 0.563539383599527
Energy: 0.5096362736074573
Energy: 0.5878802019706123
Energy: 0.5635393835978615
Energy: 0.5096372895977475
Energy: 0.5878802019656156
Energy: 0.5635393836011927
Energy: 0.5531077814438703
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Energy: 0.5058522259372445
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Energy: 0.5531077814338768
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Energy: 0.5108176049792373
Energy: 0.6043306086127336
Energy: 0.5046700636849882
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Energy: 0.6043306086077367
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Energy: 0.5959474218072612
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Energy: 0.5959474218138933
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Energy: 0.5148404786624864
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Energy: 0.5611409385689159
Energy: 0.5148404786674529
Energy: 0.5830465201873746
Energy: 0.5611409385739127
Energy: 0.5148404786657872
Energy: 0.583046520185709
Energy: 0.5611409385772438
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Energy: 0.5900658090690307
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Energy: 0.5531891545348597
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Energy: 0.5900658090740274
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Energy: 0.5602896305998523
Energy: 0.5356119552963619
Energy: 0.5365955496107256
Energy: 0.5602896305998523
Energy: 0.5356119552980274
Energy: 0.5365955496140568
Energy: 0.5602896306048492
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Energy: 0.5365955496090601
Energy: 0.5602896305998523
Energy: 0.5106597500662747
Energy: 0.5876886296803421
Energy: 0.5239381146382892
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Energy: 0.5605982330136842
Energy: 0.5156495299040303
Energy: 0.5250490802144162
Energy: 0.5605982330170153
Energy: 0.5301936880122605
Energy: 0.5232129537285624
Energy: 0.5685152583338414
Energy: 0.5301936880122605
Energy: 0.5232129537252312
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Energy: 0.530193688010595
Energy: 0.5232129537235656
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Energy: 0.530193688010595
Energy: 0.5321496571686984
Energy: 0.6306175709175976
Energy: 0.5102307950506536
Energy: 0.532149657167033
Energy: 0.6306175709159321
Energy: 0.5102307950556503
Energy: 0.5321496571653673
Energy: 0.6306175709192633
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Energy: 0.5476023925400891
Energy: 0.5426374164544984
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Energy: 0.5475956375546269
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Energy: 0.5796026205929768
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Energy: 0.5184178810062544
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Energy: 0.518415080885545
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Energy: 0.5421947544966065
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Energy: 0.5646061728731795
Energy: 0.5911862814009131
Energy: 0.5750746413556994
Energy: 0.5893383434247584
Energy: 0.5911862813992476
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Energy: 0.5911862813942508
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Energy: 0.5433460162517889
Energy: 0.5380666611482602
Energy: 0.5169967609830933
Energy: 0.5603465399955643
Energy: 0.5380666611515914
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Energy: 0.5380666611532569
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Energy: 0.5833100723244435
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Energy: 0.5159911095283717
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Energy: 0.5844888060868842
Energy: 0.5533441663312968
Energy: 0.5433505423550662
Energy: 0.5096320146236689
Energy: 0.6502097163774166
Energy: 0.5521717992025237
Energy: 0.5096320146253346
Energy: 0.6502097163740854
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Energy: 0.5096320146253346
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Energy: 0.5521717991958613
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Energy: 0.6207475687777618
Energy: 0.5150076405608501
Energy: 0.6060970544532757
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Energy: 0.6060970544566067
Energy: 0.6207475687794273
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Energy: 0.6207475687744306
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Energy: 0.557004745929966
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Energy: 0.5353281200587481
Energy: 0.5096186503397566
Energy: 0.5889138488362406
Energy: 0.5601653577576016
Energy: 0.5595278390176553
Energy: 0.5373450207490162
Energy: 0.5601653577476082
Energy: 0.5595278390143242
Energy: 0.5373450207506818
Energy: 0.5601653577542706
Energy: 0.5595278390176553
Energy: 0.537345020754013
Energy: 0.5601653577542706
Energy: 0.574073701709011
Energy: 0.5370722398948029
Energy: 0.5131058988275666
Energy: 0.5740737017023486
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Energy: 0.51310589882257
Energy: 0.5740737017023486
Energy: 0.537072239898134
Energy: 0.5131058988259011
Energy: 0.5740737017040142
Energy: 0.5158828256436653
Energy: 0.5613005586119749
Energy: 0.5561404584837522
Energy: 0.5158828256419998
Energy: 0.5613005586086437
Energy: 0.5561404584787555
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Energy: 0.5613005586036471
Energy: 0.556140458480421
Energy: 0.5158828256503276
Energy: 0.5562905913661392
Energy: 0.5461217893634035
Energy: 0.5380104005832287
Energy: 0.556290591362808
Energy: 0.5462189866888989
Energy: 0.5379086232153215
Energy: 0.5562905913611425
Energy: 0.5461217893584068
Energy: 0.5380104005815631
Energy: 0.5562905913594769
Energy: 0.6356048881293372
Energy: 0.5035772184849573
Energy: 0.550612488826133
Energy: 0.6356048881310028
Energy: 0.503577218478295
Energy: 0.5506124888311297
Energy: 0.6356048881326684
Energy: 0.5035772184866228
Energy: 0.5506124888361263
Energy: 0.6356048881326684
Energy: 0.5426109544011967
Energy: 0.5864445595559805
Energy: 0.5422722540053905
Energy: 0.5426109543962
Energy: 0.5864445595609772
Energy: 0.5422722540003938
Energy: 0.5426109543978656
Energy: 0.5864445595609772
Energy: 0.5422722540003938
Energy: 0.5426109544045278
Energy: 0.564120389092065
Energy: 0.5054207434620916
Energy: 0.6507107051554412
Energy: 0.564120389092065
Energy: 0.5054200597872345
Energy: 0.6507107051537756
Energy: 0.5641203890970616
Energy: 0.5054207434620916
Energy: 0.6507107051487789
Energy: 0.564120389092065
Energy: 0.5527377188838941
Energy: 0.5248717232818914
Energy: 0.5632802706429884
Energy: 0.5527377188838941
Energy: 0.524871723275229
Energy: 0.5632802706429884
Energy: 0.5527377188838941
Energy: 0.5248717232785601
Energy: 0.5632802706413227
Energy: 0.552737718880563
Energy: 0.5606207706091767
Energy: 0.5405326682632066
Energy: 0.5254708442763973
Energy: 0.5606207706091767
Energy: 0.5405326682665377
Energy: 0.525470838329611
Energy: 0.5606207706108421
Energy: 0.5405326682632066
Energy: 0.5254708442747318
Energy: 0.5606207706125078
Energy: 0.510401305401588
Energy: 0.5261801601848809
Energy: 0.5630754329494163
Energy: 0.5104013054032536
Energy: 0.5261801601848809
Energy: 0.5630754329477506
Energy: 0.5104013054032536
Energy: 0.5261801601832153
Energy: 0.5630754329410885
Energy: 0.5104013053999226
Energy: 0.5322090243599668
Energy: 0.5562183036632167
Energy: 0.5720834208094344
Energy: 0.532199105146754
Energy: 0.5562183036632167
Energy: 0.572083420807769
Energy: 0.5322090243616323
Energy: 0.5562183036682135
Energy: 0.5720834208144313
Energy: 0.5321991051450883

minimum gb energy = 0.503577218478295 eV
minimum distance =  2.56705209191263 Angstroms
sigma value = 437


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

Energy: 0.5146803708958227
Energy: 0.540268694577692
Energy: 0.540335031526509
Energy: 0.5146803708946092
Energy: 0.5402686945770853
Energy: 0.5403350315246885
Energy: 0.5146803708958227
Energy: 0.540268694577692
Energy: 0.5403350315259021
Energy: 0.5146803708946092
Energy: 0.593872219989058
Energy: 0.5069422268561878
Energy: 0.5594282410045072
Energy: 0.5938722199914851
Energy: 0.5069422268537607
Energy: 0.5594282410063275
Energy: 0.593872219989058
Energy: 0.5069422268561878
Energy: 0.5594282410039004
Energy: 0.5938722199914851
Energy: 0.578651879589775
Energy: 0.4976959915879879
Energy: 0.5662259943240515
Energy: 0.5749843100449936
Energy: 0.497695991590415
Energy: 0.5662259943264788
Energy: 0.5708132123877395
Energy: 0.49769599158738104
Energy: 0.5818409940491667
Energy: 0.5708132123871328
Energy: 0.5472209634870956
Energy: 0.5769467900057415
Energy: 0.549821595837784
Energy: 0.5472209634840617
Energy: 0.5769467900063483
Energy: 0.5498215958371773
Energy: 0.5472209634864887
Energy: 0.5769467900057415
Energy: 0.5498215958383909
Energy: 0.5472209634840617
Energy: 0.5627943252098352
Energy: 0.5147011871147228
Energy: 0.6187919316579742
Energy: 0.5627943252104144
Energy: 0.5147011871153295
Energy: 0.6187919316585809
Energy: 0.5627943252092285
Energy: 0.5147011871153295
Energy: 0.6187919316579742
Energy: 0.5627943252104144
Energy: 0.555028439993173
Energy: 0.5531007627737445
Energy: 0.5057179523083273
Energy: 0.555028439993173
Energy: 0.5531007627713174
Energy: 0.5057179523071137
Energy: 0.555028439993173
Energy: 0.5531007627737445
Energy: 0.5057179523083273
Energy: 0.5550284399937798
Energy: 0.5989885012641426
Energy: 0.5411857721755361
Energy: 0.4978720007240669
Energy: 0.5884274495192321
Energy: 0.5210839154035781
Energy: 0.4978720007252805
Energy: 0.5682398126593355
Energy: 0.5210839154023645
Energy: 0.4978720007240669
Energy: 0.5682398126593355
Energy: 0.5384514010554783
Energy: 0.5501107875157445
Energy: 0.5436428709327081
Energy: 0.5384514010524443
Energy: 0.5501107875157445
Energy: 0.5436428709339217
Energy: 0.5384514010548715
Energy: 0.5501107875157445
Energy: 0.5436428709333149
Energy: 0.538451401053051
Energy: 0.6704452417838678
Energy: 0.5606788526785395
Energy: 0.5150739980265648
Energy: 0.6704452417814406
Energy: 0.5606788526779326
Energy: 0.5150739980283853
Energy: 0.6704452417838678
Energy: 0.5606788526785395
Energy: 0.5150739980265648
Energy: 0.6704452417838678
Energy: 0.5449988382321328
Energy: 0.5619768098293619
Energy: 0.563713937076694
Energy: 0.5449988382321328
Energy: 0.5619768098275415
Energy: 0.5637139370748736
Energy: 0.5449988382321328
Energy: 0.5619768098293619
Energy: 0.563713937076694
Energy: 0.5449988382321328
Energy: 0.5425900743009148
Energy: 0.5263395241691563
Energy: 0.5723800246000459
Energy: 0.5425900743021282
Energy: 0.5042389158315848
Energy: 0.5723800246012594
Energy: 0.5425900743009148
Energy: 0.5042389158327985
Energy: 0.5994662191711346
Energy: 0.5425900743021282
Energy: 0.5870730577811906
Energy: 0.5073885591092364
Energy: 0.54950705734423
Energy: 0.5870730577793701
Energy: 0.5073885591056232
Energy: 0.5495070573460503
Energy: 0.5870730577811906
Energy: 0.5073885591092364
Energy: 0.5495070573460503
Energy: 0.5870730577793701
Energy: 0.5150180199129896
Energy: 0.5868385813089141
Energy: 0.5151038222695733
Energy: 0.515018019911776
Energy: 0.5868385824461617
Energy: 0.5151038222695733
Energy: 0.5150180199135963
Energy: 0.5868385855394467
Energy: 0.5151038222695733
Energy: 0.5150180199123827
Energy: 0.622040783778581
Energy: 0.5219004338390325
Energy: 0.5438956620410035
Energy: 0.6220407837773673
Energy: 0.5219004338390325
Energy: 0.5438956620410035
Energy: 0.622040783778581
Energy: 0.5219004338390325
Energy: 0.5438956620428239
Energy: 0.6220407837779742

minimum gb energy = 0.49769599158738104 eV
minimum distance =  2.57884489669873 Angstroms
sigma value = 33