Model name: model_name=EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658403597772121
cohesive_energy=3.8927084027090397
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.014678223790361879
Energy: 0.015240669444814368
Energy: 0.9296987781106698
Energy: 0.015240669444201946
Energy: 0.015240669444814368
Energy: 1.0879150811423384
Energy: 0.015240669444814368
Energy: 1.0879150811429166
Energy: 0.9296987781112822
Energy: 0.015240669444814368
Energy: 0.014678223790361879
Energy: 0.015240669444201946
Energy: 0.015240669444201946
Energy: 1.0879150811429166
Energy: 0.015240669444814368
Energy: 1.0879150811423384

minimum gb energy = 0.014678223790361879 eV
minimum distance =  2.49821150479177 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: -2.804171912694242
Energy: 0.7370750128911961
Energy: 0.263206559865033
Energy: 0.7370750128919389
Energy: -2.398350536420162
Energy: -2.129480751929354
Energy: -2.5311878455326324
Energy: -2.1292369763588748
Energy: -2.0484815211270213
Energy: 0.7132083144914078
Energy: -2.386190256807736
Energy: 0.7132083144921506
Energy: -2.2526789225653965
Energy: 0.6760242384225703
Energy: -2.3460399538045773
Energy: 0.6760242384203422
Energy: -2.2461260714445896
Energy: 0.7284508655689127
Energy: -2.11352668707905
Energy: 0.7284508655689127
Energy: -2.214545907808707
Energy: 0.9034831482578267
Energy: -2.023356013329038
Energy: 0.9034831482578267
Energy: -2.5600052575201024
Energy: 0.6981687565057778
Energy: -2.4814128712553734
Energy: 0.6981687565139479
Energy: -1.9940556073232496
Energy: 0.7318530103424826
Energy: 0.329801859031942
Energy: 0.7318530103454536
Energy: -2.5000880677952133
Energy: -2.0848650784786273
Energy: -2.3135833985127556
Energy: -1.9321226315770113
Energy: -2.074996608909275
Energy: 0.7138252694801167
Energy: 0.2518414784136857
Energy: 0.7138252694823449
Energy: -2.3560597497905533
Energy: -2.1599283587398985
Energy: -2.461676908235165
Energy: -2.362988142541122
Energy: 0.291029750444365
Energy: 0.7371157446741093
Energy: -2.273647722713541
Energy: 0.7371157446741093
Energy: -2.3766642621153444
Energy: 0.7072346307851045
Energy: -2.4290887740777136
Energy: 0.7072346307836191
Energy: -2.3009899052181053
Energy: 0.7140468999119431
Energy: -2.317944682842463
Energy: 0.7140468999141713
Energy: -2.3975214544589023
Energy: 0.7285062375816439
Energy: -2.5497160446278593
Energy: 0.7285062375831293
Energy: -1.950566017702432
Energy: 0.7205119872904784
Energy: -2.533241173647679
Energy: 0.7205119872860221
Energy: -2.3946175557157954
Energy: 0.7136463304020012
Energy: -1.9800144706638394
Energy: 0.7136463304042295
Energy: -2.3823128761060413
Energy: 0.6368152129110523
Energy: -2.447326234521941
Energy: 0.636815212911795
Energy: 0.2824337095594214
Energy: 0.7370424471631059
Energy: -2.40036030018732
Energy: 0.7370424471653341
Energy: -2.504033804281941
Energy: -1.9059716944214022
Energy: -2.4269882521861623
Energy: -1.8869379144836012
Energy: -1.9729661374211556
Energy: 0.7121748240660255
Energy: 0.2545108977794718
Energy: 0.7121748240652827
Energy: -2.3336746374872885
Energy: -2.4629444497524644
Energy: -2.1623693212483865
Energy: -2.6251722731115654
Energy: -2.2808170623628987
Energy: 0.7280179553653953
Energy: -2.218190236557296
Energy: 0.7280179553594872
Energy: -2.079192456183844
Energy: 0.7067758579196277
Energy: -2.4104795602255034
Energy: 0.7067758579196277
Energy: -2.5304213764235812
Energy: 0.9092587829971942
Energy: -2.379515111927812
Energy: 0.9092587829949661
Energy: -2.104702188018385
Energy: 0.7351928681352883
Energy: -2.1188148023144193
Energy: 0.7351928681367738
Energy: -2.061825670046732
Energy: 0.9001245858592842
Energy: -2.352164076351198
Energy: 0.9001245858585416
Energy: 0.2344307332130084
Energy: 0.7151789189996878
Energy: -2.451204672195793
Energy: 0.7151789189996878
Energy: -2.420236446558512
Energy: 0.6374356555467612
Energy: -2.425869895119378
Energy: 0.6374356556232292
Energy: -2.6979626861408774
Energy: 0.7366935800674024
Energy: -1.7912349292484906
Energy: 0.7366935800666595
Energy: -2.2734625333455956
Energy: 0.7138961470665989
Energy: -2.349608419477987
Energy: 0.7138961470665989
Energy: -2.0521224729766367
Energy: 0.7048229384926453
Energy: -2.2415452339478437
Energy: 0.7048229384926453
Energy: -2.0350629141416987
Energy: 0.7430408780325891
Energy: -2.3222056924556194
Energy: 0.7430408780325891

minimum gb energy = -2.804171912694242 eV
minimum distance =  2.23508754543533 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: -1.7289679789672434
Energy: 0.8142693571706453
Energy: -1.1713740631898881
Energy: 0.814269357167258
Energy: -1.5252132064139654
Energy: 0.7239428178931431
Energy: -1.6543045477734653
Energy: 0.7239428178965305
Energy: 0.32348970206051125
Energy: 0.8150599674109331
Energy: -1.5782255080936463
Energy: 0.8150599674143205
Energy: -1.5643763803077386
Energy: 0.7745220629227016
Energy: -1.7353944758403288
Energy: 0.7745220629184675
Energy: -1.4931610898115715
Energy: 0.78156662827917
Energy: -1.3581927669922362
Energy: 0.7815666282825573
Energy: -1.7398508100236942
Energy: 0.7826949209776879
Energy: -1.7020767148477634
Energy: 0.7826949209785348
Energy: -1.4772302689253283
Energy: -1.6622616371944827
Energy: -1.7637914410939883
Energy: -1.8172761384251785
Energy: 0.3109507226168728
Energy: 0.8152349196032557
Energy: -1.4951325767558181
Energy: 0.8152349195973277
Energy: -1.551762622464699
Energy: 0.8972422700805932
Energy: -1.8068218782641812
Energy: 0.89724227008987
Energy: -1.6174216989352677
Energy: 0.8152881891947911
Energy: -1.368043553194089
Energy: 0.8152881891914038
Energy: -1.7647004230502743
Energy: -1.5657452449953173
Energy: -1.7013098418170431
Energy: -1.4652249279385785
Energy: -1.5584817611605375
Energy: 0.7980187862350141
Energy: -1.4938771338766843
Energy: 0.7980187862367079
Energy: -2.0289249930292885
Energy: 0.7846417410603344
Energy: -1.6143900947175216
Energy: 0.7846417410594875
Energy: -2.175795809087937
Energy: 0.7850936938444871
Energy: -1.446697900084346
Energy: 0.7850936938453339
Energy: -1.4122218867719751
Energy: 0.7978598620619255
Energy: -1.5122095434347065
Energy: 0.7978598620619255
Energy: -1.7098042335516406
Energy: 0.6671654724415652
Energy: -1.6224737043415096
Energy: 0.6671654724466463
Energy: -1.603245603976166
Energy: 0.8153313212266629
Energy: 0.32087093987868015
Energy: 0.8153313212275098
Energy: -1.7003331366152985
Energy: 0.9009975906207798
Energy: -1.69941627141432
Energy: 0.9009975906698584
Energy: 0.3093975284835384
Energy: 0.8147509612694208
Energy: 0.4098828416446364
Energy: 0.8147509612711145
Energy: -1.6835812567229653
Energy: -1.555496513231158
Energy: -1.5873065207885726
Energy: -1.6420493706184918
Energy: -1.8477354131221106
Energy: 0.7819580526472165
Energy: -1.7290902124191538
Energy: 0.7819580526463699
Energy: -1.6514757280032857
Energy: 0.7816777871932175
Energy: -1.4311789444071885
Energy: 0.781677787195758
Energy: -1.5422929611320446
Energy: 0.7713753476924825
Energy: -1.7014702667257398
Energy: 0.7713753476899421
Energy: 0.3233048202860734
Energy: 0.8153122739493449
Energy: -1.496865634532156
Energy: 0.8153122739476512
Energy: -1.5811749839156661
Energy: 0.7333837085603714
Energy: -1.5767523596290944
Energy: 0.7333837085578307
Energy: -1.7304830717115245
Energy: 0.8142693571706453
Energy: 0.3561209131428252
Energy: 0.8142693571681048
Energy: -1.6100785206027828
Energy: 0.7239428178965305
Energy: -1.6849906924317175
Energy: 0.7239428178914494
Energy: 0.32348970206135813
Energy: 0.8150599674117799
Energy: -1.741720224485859
Energy: 0.8150599674151675
Energy: -1.564375157583507
Energy: 0.7745220629210079
Energy: -1.7337648509220922
Energy: 0.7745220629201609

minimum gb energy = -2.175795809087937 eV
minimum distance =  2.23323731430725 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: -1.3119944113485504
Energy: 0.8690480049585886
Energy: 0.4136760295744499
Energy: 0.8690480049605575
Energy: -1.0383809436597862
Energy: 0.7224674980103216
Energy: -1.421523463396477
Energy: 0.7224674981372698
Energy: -0.7615172848868828
Energy: 0.9198048902841025
Energy: -0.9978462880156034
Energy: 0.9198048902841025
Energy: -0.7249349984413382
Energy: 0.90406095540213
Energy: -1.1352357038619467
Energy: 0.9040609554050385
Energy: -1.060023425274561
Energy: 0.8825998441302286
Energy: -0.8925183669366504
Energy: 0.8825998441302286
Energy: -1.2842431789479998
Energy: 0.929027400881569
Energy: -0.8530990645594634
Energy: 0.9290274008805847
Energy: -1.578841605957898
Energy: -0.9857904339086712
Energy: -1.4663622133347514
Energy: -0.9092606914945132
Energy: -1.4508224718070903
Energy: 0.8721614635128548
Energy: -1.086307497308476
Energy: 0.8721614635128548
Energy: -1.3041169602457188
Energy: 0.6703992317743691
Energy: -1.064824603411808
Energy: 0.6704003340398339
Energy: -0.8940388282605751
Energy: 0.9214527633345814
Energy: -1.0089733549564979
Energy: 0.9214527633375347
Energy: -0.9868358677477107
Energy: 0.8910606602881552
Energy: -1.122463877031638
Energy: 0.8910606602901241
Energy: -1.0981079162618939
Energy: 0.8805397247961253
Energy: -1.2537048325917741
Energy: 0.8805397247961253
Energy: -1.0349279997383865
Energy: 0.8961087154099157
Energy: -0.808720787649968
Energy: 0.8961087154109001
Energy: -1.4272317949229634
Energy: -1.0190796791377306
Energy: -1.0875346864369169
Energy: -0.9729129861205943
Energy: 0.4836744143336199
Energy: 0.8773810550312952
Energy: -1.0630580332116766
Energy: 0.8773810550322796
Energy: -1.3823775216073355
Energy: 0.9526536061247993
Energy: -1.0144180125616036
Energy: 0.9526536175884459
Energy: 0.4329208703151394
Energy: 0.9197543278832253
Energy: 0.4324499317968129
Energy: 0.9197543278832253
Energy: -0.9624813614844286
Energy: 0.7625252365799898
Energy: -0.8021531538892729
Energy: 0.7625252365790054
Energy: -0.8793301318504864
Energy: 0.894216273517778
Energy: -1.0212290598637004
Energy: 0.8942162735197469
Energy: -1.1131303553785312
Energy: 0.9288559147633781
Energy: -1.0956593014195295
Energy: 0.9288559147633781
Energy: -1.3413078511065182
Energy: 0.8692229230039242
Energy: -1.3890704584589426
Energy: 0.8692229230039242
Energy: -1.2605308774452486
Energy: 0.8698968003543645
Energy: -1.1284667640424502
Energy: 0.86989680035338
Energy: -1.2235835577214804
Energy: 0.7557955027134048
Energy: -1.3399848829155132
Energy: 0.7557955007021004
Energy: 0.4125105790115966
Energy: 0.9185005620367446
Energy: -0.9608875962031017
Energy: 0.918500562037729
Energy: -1.4360120593229935
Energy: -1.0351817094638598
Energy: -1.166760087338681
Energy: -1.0936931274639194

minimum gb energy = -1.578841605957898 eV
minimum distance =  2.1794218690737 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: -0.32088601637516273
Energy: 1.002689277681359
Energy: -1.3025477957041856
Energy: 1.002689277681359
Energy: -0.5863929099315643
Energy: 0.8427385445987055
Energy: -0.511369793079568
Energy: 0.8427385444824964
Energy: -0.38171911326897867
Energy: 1.0043438838220349
Energy: 0.7202704936051005
Energy: 1.004343883825558
Energy: -0.640495713439642
Energy: 1.039587845245047
Energy: -0.44952270591770604
Energy: 1.039587845245047
Energy: -0.928583694499517
Energy: 0.8803577777527529
Energy: 0.7215429778431584
Energy: 0.8803577777891582
Energy: 0.5644916015739835
Energy: 1.0070148049602758
Energy: -0.591350447433149
Energy: 1.0070148049591012
Energy: -0.951116093029553
Energy: -0.5314560259310437
Energy: -0.4363024188205579
Energy: -0.37463769590085777
Energy: -0.2105155231410398
Energy: 1.0068402654648492
Energy: -0.4757322202238036
Energy: 1.0068402654648492
Energy: -0.5961054838904397
Energy: 0.841429489277542
Energy: -0.5476364991328554
Energy: 0.8414294889312636
Energy: -0.7066711199942103
Energy: 1.0097234256099044
Energy: -0.5544830722848664
Energy: 1.0097234256075556
Energy: -0.4553242270140641
Energy: 0.9748434595138201
Energy: 0.7157888118064081
Energy: 0.9748434595114714
Energy: -0.6668978447219156
Energy: 0.8328482791010551
Energy: -0.38409895691696394
Energy: 0.832848279062301
Energy: 0.5332449198901235
Energy: 1.0041398797411254
Energy: 0.6237114424743238
Energy: 1.0041398797411254
Energy: -0.7755107659101539
Energy: -0.3999804017112745
Energy: -0.5420483646184394
Energy: -0.5007062466138696
Energy: -0.25527567844455656
Energy: 1.0041592052017427
Energy: -0.2551192643337441
Energy: 1.0041592051946961
Energy: -0.5807579564771523
Energy: 0.834579226458472
Energy: -0.42689823857410375
Energy: 0.8345792264901801
Energy: -0.49742821460562364
Energy: 0.9741795625517703
Energy: -0.27298112908690975
Energy: 0.9741795625494215
Energy: -0.4751845250957816
Energy: 1.0063179757567
Energy: -0.5933611265455552
Energy: 1.0063179757590488
Energy: -0.8445811669963746
Energy: 0.8385212480711214
Energy: -0.3566375077003387
Energy: 0.838521248105178
Energy: -0.3463494971054272
Energy: 1.0065264647186927
Energy: -0.37606873148341796
Energy: 1.0065264647186927
Energy: -0.9786830401873644
Energy: -0.32506135418462595
Energy: -0.4389231794782886
Energy: -0.3380059665525356

minimum gb energy = -1.3025477957041856 eV
minimum distance =  2.18884129465064 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.8388355228205074
Energy: 1.075953919876592
Energy: 0.3224659438121414
Energy: 1.075953919876592
Energy: 0.8018129632659371
Energy: 0.9640396575796741
Energy: 0.7707255840784749
Energy: 0.9640396575796741
Energy: 0.8164620067643296
Energy: 1.1540668970730663
Energy: 0.7722824683384889
Energy: 1.1540668970730663
Energy: 0.8363265214408445
Energy: 1.0721527830536322
Energy: 0.6729726002969548
Energy: 1.0721527830536322
Energy: 0.6749089954193822
Energy: 0.8042642883143344
Energy: 0.7703835605976402
Energy: 0.8042642883157868
Energy: 0.7698903754473925
Energy: 1.1573294126084857
Energy: 0.7753782561718445
Energy: 1.157329412609938
Energy: 0.8014838290757854
Energy: 0.9342022460760951
Energy: 0.7734999813914072
Energy: 0.9342022460717382
Energy: 0.6533622119494046
Energy: 1.078760797648894
Energy: 0.8398671363941285
Energy: 1.078760797648894
Energy: 0.7721880652976105
Energy: 0.9635024746169953
Energy: 0.8026069813726262
Energy: 0.9635024746184477
Energy: 0.7676910747707373
Energy: 1.008916179869169
Energy: 0.770996463694774
Energy: 1.0089161798677166
Energy: 0.6983263464155595
Energy: 1.0760846313445858
Energy: -0.48813206126331377
Energy: 1.0760846313445858
Energy: 0.770417033822266
Energy: 0.8960435780569618
Energy: 0.7286753101990392
Energy: 0.8960435781556875
Energy: 0.7707679002887601
Energy: 1.1381986120054612
Energy: 0.7678280564115034
Energy: 1.1381986119938428
Energy: 0.767916787139762
Energy: 0.9396842578609943
Energy: 0.8387825024235049
Energy: 0.9396842578595419
Energy: 0.9082972827655043
Energy: 1.076632234874261
Energy: 0.663912671329929
Energy: 1.0766322348757131
Energy: 0.8049649318249541
Energy: 1.0094083213986755
Energy: 0.7695637450725167
Energy: 1.009408321400128
Energy: 0.7740981863322466
Energy: 0.8247856057990546
Energy: 0.7611079921026489
Energy: 0.8247856058005069

minimum gb energy = -0.48813206126331377 eV
minimum distance =  2.34166614649794 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.8940914422535458
Energy: 1.0887319804133788
Energy: 0.04340936839340933
Energy: 1.0887319804125561
Energy: 0.8026594763800465
Energy: 0.7994314998457465
Energy: 0.7831920157109897
Energy: 0.7994314998449239
Energy: 0.7528499834615963
Energy: 1.0843184869428997
Energy: 0.8224068073903353
Energy: 1.0843184869404323
Energy: 0.7881824172134879
Energy: 1.071692253730616
Energy: 0.7393387592727412
Energy: 1.0716922537659848
Energy: 0.8449507972117163
Energy: 0.9810100577536741
Energy: 0.8146629120679185
Energy: 0.9810100577528515
Energy: 0.8442239373115871
Energy: 1.0727556666853904
Energy: 0.6281784949409738
Energy: 1.0727556666862128
Energy: 0.7907319091017718
Energy: 0.9146892683095823
Energy: 0.7635018859694838
Energy: 0.9146892683095823
Energy: 0.7202303400605146
Energy: 1.1386589318995806
Energy: 0.8475623036701556
Energy: 1.138658931900403
Energy: 0.844175225894884
Energy: 1.078011931306196
Energy: 0.7154683848256796
Energy: 1.0780119313070187
Energy: 0.7567742404520438
Energy: 0.9480122429680589
Energy: 0.7901227502456958
Energy: 0.9480122431620643
Energy: 0.8177451228383531
Energy: 1.0685820784393563
Energy: 0.7148401718656646
Energy: 1.068582078440179
Energy: 0.8685101856441423
Energy: 0.9424980727262544
Energy: 0.8662898376717534
Energy: 0.9424980727278996
Energy: 0.7750486928373506
Energy: 1.0684321408207225
Energy: 0.8927026561038944
Energy: 1.0684321408190773
Energy: 0.8202516933023313
Energy: 1.0922713458054736
Energy: 0.8042652880970089
Energy: 1.092271345806296
Energy: 0.785272741897992
Energy: 0.9032559961689237
Energy: 0.8212783773784136
Energy: 0.9032559961705687
Energy: 0.7478592976158609
Energy: 1.1166503182915568
Energy: 0.7543546686862833
Energy: 1.1166503182915568
Energy: 0.7830808428143979
Energy: 0.9450062548277247
Energy: 0.7862858470381144
Energy: 0.9450062551089188
Energy: 0.6720004693646097
Energy: 1.0603371631800727
Energy: 0.8437506075206528
Energy: 1.0603371631784277
Energy: 0.859342026801485
Energy: 1.020328670777587
Energy: 0.8826047208860106
Energy: 1.0203286707808772
Energy: 0.7968236101350119
Energy: 1.0768192466897597
Energy: 0.7912067113563737
Energy: 1.0768192466889372
Energy: 0.7471303158863796
Energy: 1.043240282242347
Energy: 0.7887345270577686
Energy: 1.043240282242347
Energy: 0.8206925508336216
Energy: 0.7311996937464275
Energy: 0.7554363859331159
Energy: 0.7311996937480727
Energy: 0.7691824859522157
Energy: 1.0753974815697858
Energy: 0.8156279468638401
Energy: 1.0753974815788339
Energy: 0.8905703673989732
Energy: 0.9340737456192045
Energy: 0.7720900204461242
Energy: 0.9340737456134467
Energy: 0.8871684492903695
Energy: 1.0899303378312013
Energy: 0.7695583825096445
Energy: 1.0899303378566996
Energy: 0.5927266182534405
Energy: 1.0768662207825088
Energy: 0.8164187521280136
Energy: 1.076866220787444
Energy: 0.8079286294155329
Energy: 0.9000029736488362
Energy: 0.7963016347515002
Energy: 0.9000029729968672
Energy: 0.6873799493719065
Energy: 1.0434483846378746
Energy: 0.787059997667636
Energy: 1.043448384638697
Energy: 0.777465109717058
Energy: 0.9311739056792673
Energy: 0.7919231204917538
Energy: 0.9311739056554139
Energy: 0.8473146773456655
Energy: 1.0601054021552618
Energy: 0.7289364654806516
Energy: 1.0601054021609821

minimum gb energy = 0.04340936839340933 eV
minimum distance =  2.25332157980017 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.8965109212444605
Energy: 0.89687787570108
Energy: 0.7134547462724502
Energy: 0.8968778756991865
Energy: 0.8803960281801528
Energy: 0.8572312213994018
Energy: 0.6875289505795139
Energy: 0.8572312213975082
Energy: 0.8637700636359066
Energy: 1.0662856316291125
Energy: 0.7588992417879779
Energy: 1.066285631627219
Energy: 0.8653106998975871
Energy: 1.0662891292693113
Energy: 0.7370840841032756
Energy: 1.0662891292674177
Energy: 0.8804626803326575
Energy: 0.8572718851413466
Energy: 0.6878513699016836
Energy: 0.8572718851205168
Energy: 0.8965109212444605
Energy: 0.8968778757029737
Energy: 0.6178019005843928
Energy: 0.8968778756991865
Energy: 0.8803960281801528
Energy: 0.8572312213994018
Energy: 0.7525069896693851
Energy: 0.8572312214012953
Energy: 0.8637700636378003
Energy: 1.0662856316291125
Energy: 0.8993053159645181
Energy: 1.066285631627219
Energy: 0.8653106998956935
Energy: 1.0662891292693113
Energy: 0.6808078613537726
Energy: 1.0662891292674177
Energy: 0.8804626803080404
Energy: 0.8572718851451337
Energy: 0.7877790287899695
Energy: 0.8572718851280912
Energy: 0.8965109212444605
Energy: 0.89687787570108
Energy: 0.617806223431152
Energy: 0.8968778756991865
Energy: 0.8803960281839399
Energy: 0.8572312213975082
Energy: 0.777124126563198
Energy: 0.8572312213937209
Energy: 0.8637700636378003
Energy: 1.0662856316291125
Energy: 0.8993053159645181
Energy: 1.066285631627219

minimum gb energy = 0.6178019005843928 eV
minimum distance =  2.28696517491018 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.9660837699140948
Energy: 1.098904554044555
Energy: -0.0686013035000715
Energy: 1.0989045541713462
Energy: 0.7930969535014865
Energy: 0.8111419623967782
Energy: 0.8327522236153853
Energy: 0.8111419623981797
Energy: 0.7322416459790487
Energy: 1.0877570183140997
Energy: 0.7670677458624756
Energy: 1.0877570183105956
Energy: 0.7070541129793146
Energy: 0.9386183748215353
Energy: 0.824566000163689
Energy: 0.9386183747899968
Energy: 0.7426491274385637
Energy: 0.8664743681363246
Energy: 0.7706566408474855
Energy: 0.8664743681356238
Energy: 0.9468303862831272
Energy: 0.835611024373581
Energy: 0.6821376244889551
Energy: 0.8356110243749828
Energy: 0.7851438262396867
Energy: 0.782599419703112
Energy: 0.8022386625641643
Energy: 0.7825994197010095
Energy: 0.8566347392786715
Energy: 0.9291602952281336
Energy: 0.7199642391871738
Energy: 0.9291602952169199
Energy: 0.7601600242040935
Energy: 0.9551337349342808
Energy: 0.9271032018815168
Energy: 0.9551337414773556
Energy: 0.7622451627722984
Energy: 0.8753496855028641
Energy: 0.7996291895518169
Energy: 0.8753496855028641
Energy: 0.8229473142176813
Energy: 1.0755223781074332
Energy: 0.6737985530471952
Energy: 1.075522378026898
Energy: 0.7493451817668052
Energy: 1.1178011960407777
Energy: 0.77222990926301
Energy: 1.1178011960379743
Energy: 0.7921656697096043
Energy: 1.0931745825170243
Energy: 0.7516691330430559
Energy: 1.0931745825156227
Energy: 0.7085982196801595
Energy: 0.935534538884466
Energy: 0.967871065353716
Energy: 0.9355345373334691
Energy: 0.7952807813291853
Energy: 0.9854527063963532
Energy: 0.73762572607915
Energy: 0.9854527063837377
Energy: 0.7952674773224228
Energy: 1.1032349125186907
Energy: 0.6877676670987055
Energy: 1.1032349125130836
Energy: 0.7631162553536395
Energy: 0.9979212073163117
Energy: 0.7962209614774197
Energy: 0.9979212073170125
Energy: 0.8228326521010975
Energy: 0.7957249820902402
Energy: 0.718815905067334
Energy: 0.7957249820902402
Energy: 0.7582601086622849
Energy: 1.0304777909824716
Energy: 0.9473796213205076
Energy: 1.0304777909803688
Energy: 0.773383152944335
Energy: 0.8678137469558518
Energy: 0.8015432729260668
Energy: 0.8678137469565527
Energy: 0.7103206987983381
Energy: 1.0872295234863383
Energy: 0.7105704698483121
Energy: 1.0872295234919451
Energy: 0.820056778237556
Energy: 0.8661594044092062
Energy: 0.7638803633326208
Energy: 0.866159404410608
Energy: 0.8942461409218024
Energy: 0.963732000125258
Energy: 0.7595767139675321
Energy: 0.9637320001329673
Energy: 0.39389226318330545
Energy: 1.0705422068123547
Energy: 0.8241207187536711
Energy: 1.0705422068221666
Energy: 0.802503214892762
Energy: 0.8714180481071604
Energy: 0.7698580259875758
Energy: 0.8714180481043571
Energy: 0.7407400836093146
Energy: 1.0056777574335243
Energy: 0.7875492743960631
Energy: 1.0056777574692044
Energy: 0.7937059545639689
Energy: 0.9605482868991779
Energy: 0.7050458773743389
Energy: 0.9605482868984769
Energy: 0.9608180526365118
Energy: 0.9295110348222801
Energy: 0.706088469644071
Energy: 0.9295110348355966
Energy: 0.7339961039231486
Energy: 1.0203977317977577
Energy: 0.789559717368918
Energy: 1.0203977316520434
Energy: 0.8053171901798735
Energy: 0.8581190720298226
Energy: 0.7664071082113625
Energy: 0.8581190720549896
Energy: 0.7969769364828949
Energy: 1.0821728406076887
Energy: 0.8720249982589477
Energy: 1.0821728406055862
Energy: 0.7843502615744934
Energy: 0.7959473071138339
Energy: 0.756941511096936
Energy: 0.7959473071117311
Energy: 0.8089050949356037
Energy: 0.8679783975638131
Energy: 0.7556187664057076
Energy: 0.8679783975631122
Energy: 0.714602798615815
Energy: 1.0868984595094282
Energy: 0.7059357043296651
Energy: 1.0868984595073257
Energy: 0.7181481424321603
Energy: 0.8315754155374023
Energy: 0.7785040490734793
Energy: 0.8315754155388041

minimum gb energy = -0.0686013035000715 eV
minimum distance =  2.29351813700127 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.0000841763824222
Energy: 0.8264110296753792
Energy: 0.7356758695225425
Energy: 0.8264110296609236
Energy: 0.8993621799300604
Energy: 1.001400801500526
Energy: 0.9015640099813961
Energy: 1.0014008014949662
Energy: 0.8198536462064474
Energy: 0.9962652059371906
Energy: 0.8638895506198884
Energy: 0.9962652059271829
Energy: 0.7548474926637918
Energy: 0.9589123710446644
Energy: 0.8778146183247334
Energy: 0.9589123710413284
Energy: 0.7179624344813188
Energy: 0.9035483028357857
Energy: 0.8625885985497246
Energy: 0.9035483028368976
Energy: 0.9042434752510816
Energy: 1.0003602639963765
Energy: 0.6174868813259747
Energy: 1.0003602641942055
Energy: 0.830512224388359
Energy: 0.7603401703319513
Energy: 0.843212203829739
Energy: 0.7603401703241676
Energy: 0.8540316030250207
Energy: 1.0189156699821371
Energy: 0.6886912483646133
Energy: 1.018915670161088
Energy: 0.7817259492027673
Energy: 0.789367557342213
Energy: 0.9726728930922927
Energy: 0.7893675573444368
Energy: 0.7998499824288505
Energy: 0.8672757189223004
Energy: 0.8184135980307117
Energy: 0.8672757189211884
Energy: 0.8073635100571497
Energy: 0.9305280667489274
Energy: 0.7177271124822943
Energy: 0.9305280667122579
Energy: 0.8062066185344882
Energy: 0.9569528009414944
Energy: 0.753647448850023
Energy: 0.956952800973716
Energy: 0.9037130583177833
Energy: 0.7868085253689188
Energy: 0.7414217108783238
Energy: 0.7868085253711427
Energy: 0.24800444992075504
Energy: 0.9731589285951612
Energy: 0.9043087884290126
Energy: 0.9731589272925169
Energy: 0.7318610083341015
Energy: 0.8991879189363514
Energy: 0.8115187450536462
Energy: 0.8991879189396874
Energy: 0.7140118184203214
Energy: 1.0151099170321622
Energy: 0.8539892475328702
Energy: 1.0151099171822273
Energy: 0.8867817074307269
Energy: 1.008085504080337
Energy: 0.8203034911423942
Energy: 1.008085504079225
Energy: 0.8897736508999092
Energy: 0.9579558001846513
Energy: 0.8071619124882813
Energy: 0.9579558001857632
Energy: 0.7239224123870868
Energy: 1.0221766630623184
Energy: 0.8537785898870296
Energy: 1.0221766630256233
Energy: 0.8988462368034706
Energy: 1.0141678560722738
Energy: 0.8406199079061701
Energy: 1.0141678462813024
Energy: 0.7179419151001716
Energy: 1.015095220235892
Energy: 0.903265565923151
Energy: 1.0150952202347803
Energy: 0.853670616146802
Energy: 0.8423716284519841
Energy: 0.7527369422924551
Energy: 0.8423716284419765

minimum gb energy = 0.24800444992075504 eV
minimum distance =  2.26603276223123 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.9906927444227537
Energy: 0.7278300988541894
Energy: 0.055298019615309
Energy: 0.7278300988455403
Energy: 0.7623744728395321
Energy: 0.8089363354807733
Energy: 0.8257127992699798
Energy: 0.8089360196829142
Energy: 0.7914660563546656
Energy: 1.0493931424284908
Energy: 0.7256840587510948
Energy: 1.0493931408739445
Energy: 0.40136937129604305
Energy: 0.7646535906162886
Energy: 0.9187945504515258
Energy: 0.7646535906217925
Energy: 0.791319350497112
Energy: 0.7561716955830027
Energy: 0.8201022118995022
Energy: 0.7561716955877203
Energy: 0.8767055495792233
Energy: 0.9402026443003372
Energy: 0.6700071456337561
Energy: 0.9402026442987647
Energy: 0.8074539532989649
Energy: 1.0730245453551777
Energy: 0.7135603031452299
Energy: 1.073024545355964
Energy: 0.8767653349040474
Energy: 0.7147067091634272
Energy: 0.6774411557203106
Energy: 0.7147067091563506
Energy: 0.7881526155840684
Energy: 0.9203881420232405
Energy: 0.8995386613650902
Energy: 0.9203881420318896
Energy: 0.7923637620228642
Energy: 0.7854247692914322
Energy: 0.7571803954448487
Energy: 0.7854247692906459
Energy: 0.669864178181408
Energy: 0.7506975034729709
Energy: 0.7235432505130559
Energy: 0.7506975274658603
Energy: 0.7480851098094738
Energy: 0.8845791494855788
Energy: 0.7122532284367138
Energy: 0.8845791494847924
Energy: 0.864261319681555
Energy: 0.9472192378711368
Energy: 0.716190233028329
Energy: 0.9472192378876487
Energy: 0.7063874858601068
Energy: 1.050314215943111
Energy: 0.7227890795243682
Energy: 1.0503142159352479
Energy: 0.7089297220805209
Energy: 0.7789895689895371
Energy: 0.825443093668555
Energy: 0.7789895689636256
Energy: 0.21861727786853827
Energy: 0.9704459196198761
Energy: 0.8972818812715747
Energy: 0.9704459196238076
Energy: 0.7087646679541482
Energy: 0.7611017588310005
Energy: 0.7494877172161031
Energy: 0.7611017588207789
Energy: 0.7374016690272317
Energy: 0.8750473966026135
Energy: 0.7117449556564318
Energy: 0.875047396606545
Energy: 0.792236600789952
Energy: 0.9320788751170889
Energy: 0.7107438769372095
Energy: 0.9320788750117631
Energy: 0.7917576755574569
Energy: 0.7556079868331939
Energy: 0.7101408346914416
Energy: 0.7556079868434155
Energy: 0.3159758243998179
Energy: 0.9223153738655149
Energy: 0.8993109659317059
Energy: 0.922315371875513
Energy: 0.7931721589422428
Energy: 0.9298510199466763
Energy: 0.743347844738617
Energy: 0.9298510203034684
Energy: 0.7553311487152365
Energy: 1.0252120754105067
Energy: 0.7706965467505338
Energy: 1.0252120753814502
Energy: 0.991632777011145
Energy: 0.7147771437743153
Energy: 0.4826440184596553
Energy: 0.71477714376488
Energy: 0.8544986243797782
Energy: 0.8254944414818616
Energy: 0.7136483240096141
Energy: 0.8254944414716398
Energy: 0.6941824734216229
Energy: 0.755529129102955
Energy: 0.727599094220478
Energy: 0.7555291290841201
Energy: 0.7910680885691924
Energy: 0.7618375561875299
Energy: 0.722230090876964
Energy: 0.761837556185171
Energy: 0.4023568912518461
Energy: 0.7571955580399203
Energy: 0.9189450398565909
Energy: 0.7571955580312714
Energy: 0.8757584564555057
Energy: 1.0735000946197444
Energy: 0.5661259433236805
Energy: 1.0735000946165993
Energy: 0.8705636574071188
Energy: 1.237832539589633
Energy: 0.903450776058381
Energy: 1.2378325395833425
Energy: 0.8756079908405772
Energy: 1.0736084755327704
Energy: 0.8775075939989758
Energy: 1.0736084755209763

minimum gb energy = 0.055298019615309 eV
minimum distance =  2.2386580938011 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.7717108200284155
Energy: 0.5447937278930782
Energy: 0.7941463484318706
Energy: 0.5447937278877223
Energy: 0.6973212290747323
Energy: 0.7993782062296094
Energy: 0.8987753227474246
Energy: 0.7993795486948811
Energy: 0.8322605294731956
Energy: 0.9168052811773172
Energy: 0.6987681079428111
Energy: 0.9168052811775912
Energy: 0.8996181480385772
Energy: 1.1429794813761587
Energy: 0.8991088555596881
Energy: 1.1429794813764325
Energy: 0.9002638603942401
Energy: 0.8596501155299522
Energy: 0.9047022896356488
Energy: 0.8596501155312608
Energy: 0.6411119983072763
Energy: 1.048330739016635
Energy: 0.6413089233599437
Energy: 1.048330739016361
Energy: 0.6417372332378009
Energy: 0.8599229326872335
Energy: 0.9004200920965834
Energy: 0.8599229326853467
Energy: 0.8988057264659425
Energy: 1.1429625008222584
Energy: 0.8996562004565762
Energy: 1.1429625008217408
Energy: 0.698780437913213
Energy: 0.9168018526207651
Energy: 0.7002035565295105
Energy: 0.9168018526215868

minimum gb energy = 0.5447937278877223 eV
minimum distance =  2.33118809983685 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.7747207357803743
Energy: 0.6239806861507964
Energy: 0.2977799952895169
Energy: 0.6239806861493108
Energy: 0.6995098872569709
Energy: 1.064376851399029
Energy: 0.6015034665354217
Energy: 1.0643768513997716
Energy: 0.6264809482458887
Energy: 0.564537122264725
Energy: 0.7263499505152852
Energy: 0.5645371222639821
Energy: 0.5761049273299552
Energy: 0.8496787604895688
Energy: 0.6400405919947895
Energy: 0.8496787605437547
Energy: 0.6530844161735359
Energy: 0.6715072704823007
Energy: 0.8176583105035705
Energy: 0.6715072704674797
Energy: 0.5587582914276839
Energy: 0.6268776584354459
Energy: 0.5987125027675716
Energy: 0.6268776584302468
Energy: 0.6208696317033858
Energy: 0.7227555781764421
Energy: 0.6121264276303807
Energy: 0.7227555781801559
Energy: 0.6171466659414674
Energy: 0.8883293293700486
Energy: 0.6101225067333547
Energy: 0.8883293297471895
Energy: 0.6820438292704837
Energy: 0.8500377510550016
Energy: 0.5517006639117122
Energy: 0.8500377510535498
Energy: 0.6394281427081862
Energy: 0.7068236121090389
Energy: 0.37136081866597787
Energy: 0.7068236121060678
Energy: 0.520207366068074
Energy: 0.8443011880848127
Energy: 0.6261560764230427
Energy: 0.8442588913615333
Energy: 0.6222020739566083
Energy: 0.846467823450623
Energy: 0.6361601657036398
Energy: 0.8464678247832595
Energy: 0.5608043184382584
Energy: 0.6254816428191966
Energy: 0.8014226612594898
Energy: 0.6254816428221676
Energy: 0.6459111877154671
Energy: 0.7847149072662511
Energy: 0.704663500090496
Energy: 0.7847149074147307
Energy: 0.7231178772532956
Energy: 0.8296935580774315
Energy: 0.6235244496018486
Energy: 0.8296938348634356
Energy: 0.6387783695711631
Energy: 0.6018903264605253
Energy: 0.2616779271987986
Energy: 0.6018903264753799
Energy: 0.7078744425051936
Energy: 0.8345679911957695
Energy: 0.6331571404208343
Energy: 0.8345682551136425
Energy: 0.6526474372636474
Energy: 0.6267320425302239
Energy: 0.44419903526720156
Energy: 0.6267320425227966
Energy: 0.6094104108770191
Energy: 0.6771516428580413
Energy: 0.6022029979170489
Energy: 0.677151642855813
Energy: 0.6207092548108754
Energy: 0.8416587943132263
Energy: 0.6218256875589186
Energy: 0.8416591151550672
Energy: 0.5804966100586398
Energy: 0.8663613375157011
Energy: 0.6388159846206423
Energy: 0.8663606723415535
Energy: 0.6765572385494052
Energy: 0.6991575802742617
Energy: 0.647650520426793
Energy: 0.699157580309913
Energy: 0.6092925264466826
Energy: 0.8813929555216968
Energy: 0.5805113966032588
Energy: 0.8813929555202115
Energy: 0.629896315464353
Energy: 0.9614793031305626
Energy: 0.6208524643923147
Energy: 0.9614792915386201
Energy: 0.7095181560196165
Energy: 0.6608634791384621
Energy: 0.6364801233152919
Energy: 0.6608634791421757
Energy: 0.6926625285496298
Energy: 0.8062233023405099
Energy: 0.6528901544848021
Energy: 0.8062233023405099
Energy: 0.5999185156384709
Energy: 0.8347885345283262
Energy: 0.6190257836028816
Energy: 0.8347885345312971
Energy: 0.1912770506188861
Energy: 1.0473229352970166
Energy: 0.7102025784067276
Energy: 1.0473229360958287
Energy: 0.6205584820163274
Energy: 1.01588097892926
Energy: 0.8247793204925226
Energy: 1.0158809788178835
Energy: 0.510583672086026
Energy: 0.8415745482418948
Energy: 0.6461291727271748
Energy: 0.8415745548745578
Energy: 0.5774900882049331
Energy: 0.6032967795462639
Energy: 0.5069722003331547
Energy: 0.6032967795388365
Energy: 0.7689738534604081
Energy: 0.7756019081040797
Energy: 0.6215051390534342
Energy: 0.7756019058939347
Energy: 0.7060489791959575
Energy: 1.0406480230781847
Energy: 0.5201490797721963
Energy: 1.0406480230878066

minimum gb energy = 0.1912770506188861 eV
minimum distance =  2.18916644230599 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.7639464663978652
Energy: 0.6179765982410463
Energy: 0.3049122662482113
Energy: 0.6179765982163994
Energy: 0.7555256533899185
Energy: 1.177640274655213
Energy: 0.6265189068297646
Energy: 1.1776402746490515
Energy: 0.5900511239272213
Energy: 0.6112417790688763
Energy: 0.5830743080077226
Energy: 0.6112417792628776
Energy: 0.5573462119257081
Energy: 0.8647863125034453
Energy: 0.6561544059273278
Energy: 0.8647863126163636
Energy: 0.5022538083694221
Energy: 0.9798127351247579
Energy: 0.8524704748657155
Energy: 0.9798127351216769
Energy: 0.5172957981193038
Energy: 1.1353905998859208
Energy: 0.6480464272695153
Energy: 1.135390599926999
Energy: 0.5160190189780899
Energy: 0.698507028747429
Energy: 0.5676996279393615
Energy: 0.6985070287484558
Energy: 0.5138200258871183
Energy: 0.928945932265152
Energy: 0.5529532059083174
Energy: 0.9289459318053096
Energy: 0.7305053538933632
Energy: 0.9182722160165505
Energy: 0.5366013038079142
Energy: 0.9182722159878425
Energy: 0.7283308105488738
Energy: 0.9189724213565
Energy: 0.6102111256363267
Energy: 0.9189724213647158
Energy: 0.550621608748638
Energy: 0.933916118859794
Energy: 0.5378832499263464
Energy: 0.9339161234728766
Energy: 0.5157452847814127
Energy: 0.7444001886076766
Energy: 0.5756296998929532
Energy: 0.744400188600488
Energy: 0.5168524991505362
Energy: 1.136110664515062
Energy: 0.6356030650682235
Energy: 1.136110664516089
Energy: 0.5059971357318803
Energy: 0.9795289760382255
Energy: 0.6766383114533817
Energy: 0.9795289760433602
Energy: 0.5775880663534385
Energy: 0.8641995487624738
Energy: 0.6488775707335005
Energy: 0.8641995489421442
Energy: 0.5899416993656106
Energy: 0.6158603886635091
Energy: 0.45603381309347646
Energy: 0.6158603886265388
Energy: 0.7462019948010845
Energy: 1.1781726479588073
Energy: 0.6256350748507209
Energy: 1.1781726479536725
Energy: 0.7639464663978652
Energy: 0.6179765982184533
Energy: 0.2765827781460063
Energy: 0.6179765982051028
Energy: 0.7555256654050605
Energy: 1.177640274655213
Energy: 0.6265189068287377
Energy: 1.1776402746521324
Energy: 0.5900511239261945
Energy: 0.6112417794055777
Energy: 0.677977445162706
Energy: 0.6112417794332587
Energy: 0.5573462119318697
Energy: 0.8647863125835478
Energy: 0.6561544059273278
Energy: 0.8647863125270653
Energy: 0.5022538083786648
Energy: 0.9798127351257848
Energy: 0.8524704748636617
Energy: 0.9798127351247579
Energy: 0.5172957981203308
Energy: 1.1353905999639227
Energy: 0.6480464272592457
Energy: 1.1353905998869478
Energy: 0.5160190190222023
Energy: 0.6985070287484558
Energy: 0.5676996279352536
Energy: 0.6985070287453751

minimum gb energy = 0.2765827781460063 eV
minimum distance =  2.26031438565166 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.6411113711021782
Energy: 0.4129927298300781
Energy: -0.16754483876123094
Energy: 0.41299272985800667
Energy: 0.6057868009061225
Energy: 0.8676566247698478
Energy: 0.3453618680689338
Energy: 0.8676566247698478
Energy: 0.548558243614928
Energy: 0.3069804212549859
Energy: 0.3915866414039613
Energy: 0.30698044116303214
Energy: 0.08093229778983098
Energy: 0.8126181263720519
Energy: 0.230407527824601
Energy: 0.8126181262647809
Energy: 0.2890111635272792
Energy: 0.9600838387059671
Energy: 0.5362599377610608
Energy: 0.9600838387066017
Energy: 0.04497623284086962
Energy: 0.9517018288739404
Energy: 0.5140843664731327
Energy: 0.9517018285789016
Energy: 0.39366008656334195
Energy: 0.7183692368248519
Energy: 0.5022958253283428
Energy: 0.718369236248104
Energy: 0.276917401492146
Energy: 0.6152429281461373
Energy: 0.1680162202573894
Energy: 0.6152426003336328
Energy: 0.2669400856944574
Energy: 0.7409211758682913
Energy: 0.339807380947475
Energy: 0.7409211758885452
Energy: 0.2934619514123386
Energy: 0.8370387383026169
Energy: 0.39511207348492605
Energy: 0.8370387368199216
Energy: 0.6113804541920654
Energy: 0.9016835958318186
Energy: 0.22996565091331153
Energy: 0.901683595828645
Energy: 0.347917466581716
Energy: 0.5507140717086972
Energy: 0.2762569902691741
Energy: 0.5507152653341053
Energy: 0.03634479779144578
Energy: 0.9486359240775184
Energy: 0.41395849911955723
Energy: 0.9486359265734897
Energy: 0.37610468723744367
Energy: 0.7546444158581993
Energy: 0.5791867341955977
Energy: 0.7546444552929282
Energy: 0.1646414534632193
Energy: 0.9197449947827611
Energy: 0.6334816848129227
Energy: 0.9197449956494123
Energy: 0.45154275807823546
Energy: 0.6665566549689534
Energy: 0.5424748425235795
Energy: 0.6665543852540575
Energy: 0.22770415762255825
Energy: 0.6689227506482739
Energy: 0.4271226617354541
Energy: 0.6689226279801913
Energy: 0.38585565025418084
Energy: 0.4477729147252058
Energy: 0.15188698093739098
Energy: 0.44777289925266583
Energy: 0.7936106582081286
Energy: 1.1048933225102742
Energy: 0.35779993108167407
Energy: 1.1048933225071007
Energy: 0.5780471338234003
Energy: 0.30075205398804655
Energy: -0.020584480310542504
Energy: 0.300752053979795
Energy: 0.4198492584230291
Energy: 0.8616181537772503
Energy: 0.4091027547928043
Energy: 0.8616181537702682
Energy: 0.370896288940926
Energy: 0.894112023275731
Energy: 0.8699123880449983
Energy: 0.8941120229959261
Energy: 0.1733443544107638
Energy: 0.826526070569453
Energy: 0.42896924456092017
Energy: 0.8265260807144463
Energy: 0.3317572045710327
Energy: 0.7673929683834427
Energy: 0.683228591640193
Energy: 0.7673870909140798
Energy: 0.033998701220973565
Energy: 0.4773175039879869
Energy: 0.3470555658677591
Energy: 0.47731750415867424
Energy: 0.4037420080830221
Energy: 0.5764856179589334
Energy: 0.32613241492387884
Energy: 0.5764854745757615
Energy: 0.4270566736822359
Energy: 0.9821952656732412
Energy: 0.34349616956173373
Energy: 0.9821952633156434
Energy: 0.6358310562540723
Energy: 0.6695693363715999
Energy: 0.3158431341816212
Energy: 0.6695704257288868
Energy: 0.5811235374782342
Energy: 0.847143288072238
Energy: 0.374125388505166
Energy: 0.8471432880417705
Energy: 0.5700840282207595
Energy: 0.9433429177826815
Energy: 0.1574379015017272
Energy: 0.9433429176761029
Energy: 0.3090037713873103
Energy: 0.5997723279230773
Energy: 0.320339323103173
Energy: 0.5997723276045533
Energy: 0.24643422539463725
Energy: 0.9205808318891631
Energy: 0.2612893599559184
Energy: 0.9205808318758336
Energy: 0.3476452507393203
Energy: 0.841815111143613
Energy: 0.42419539517425153
Energy: 0.8418151037337724
Energy: 0.1541813874596095
Energy: 0.8065084626146721
Energy: 0.3512813132685148
Energy: 0.806508462612768
Energy: 0.18595648736509565
Energy: 0.5440436672246637
Energy: 0.2141383104909128
Energy: 0.544043667218951
Energy: 0.5034220779315666
Energy: 0.5834596514862749
Energy: 0.4827572592884166
Energy: 0.5834305599209598
Energy: 0.4250006939659658
Energy: 0.953095968189203
Energy: 0.040249081247345615
Energy: 0.9530959681904725
Energy: 0.4781823259635286
Energy: 0.9335136589969099
Energy: 0.31999731527795144
Energy: 0.9335136589937362

minimum gb energy = -0.16754483876123094 eV
minimum distance =  2.19559214544924 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.5991553326323873
Energy: 0.5973968906058137
Energy: 0.2912885877434522
Energy: 0.5973968906074745
Energy: 0.4868857064611689
Energy: 0.6075772124024484
Energy: 0.46732479838600427
Energy: 0.6075772124024484
Energy: 0.47644980867141634
Energy: 1.0091140257851248
Energy: 0.6190745149196839
Energy: 1.0091140258432154
Energy: 0.407690116864941
Energy: 0.5774543196153854
Energy: 0.47766569386196106
Energy: 0.577454319610403
Energy: 0.5403188179476152
Energy: 0.9535525501993877
Energy: 0.4906910621046741
Energy: 0.9535525502027093
Energy: 0.48321396632989644
Energy: 0.5065377153120425
Energy: 0.4776735001452671
Energy: 0.5065377152970952
Energy: 0.4765142030194413
Energy: 0.7010503744734385
Energy: 0.48727286851967117
Energy: 0.7010503744734385
Energy: 0.12791709011168126
Energy: 0.656651539994676
Energy: 0.4883233746856667
Energy: 0.6566588457452928
Energy: 0.5412458788907581
Energy: 0.5977278455309046
Energy: 0.3889774417600926
Energy: 0.5977278455309046
Energy: 0.5839578011419868
Energy: 0.49240398001978136
Energy: 0.4785902781283864
Energy: 0.4924038540802305
Energy: 0.47408168223191033
Energy: 0.6121432924378382
Energy: 0.48186231495658244
Energy: 0.6121432924361774
Energy: 0.4774778911545901
Energy: 0.6970733584324835
Energy: 0.46837934617171445
Energy: 0.6970733584324835
Energy: 0.5410876146689341
Energy: 0.9320855434377046
Energy: 0.06276977379044885
Energy: 0.9320855435605288
Energy: 0.47839568839413726
Energy: 0.5659061209975748
Energy: 0.4787417345508219
Energy: 0.5659061209975748
Energy: 0.2899863291223058
Energy: 0.9306962730087472
Energy: 0.5317906514136796
Energy: 0.9306962730087472

minimum gb energy = 0.06276977379044885 eV
minimum distance =  2.2022366881484 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.5481362771418786
Energy: 0.9009220728528593
Energy: -0.5034501853707742
Energy: 0.9009220728465944
Energy: 0.4501822375187912
Energy: 0.9276238693865764
Energy: 0.2350577321953046
Energy: 0.9276238693956258
Energy: 0.49024144221159716
Energy: 0.6454417099363056
Energy: -0.20506602718186284
Energy: 0.6454417278934231
Energy: -0.13091659773867964
Energy: 0.9281202809609794
Energy: -0.22237822443746508
Energy: 0.9281202809616754
Energy: 0.12143089997557428
Energy: 0.6083399739385861
Energy: 0.38829601717770185
Energy: 0.6083393801939265
Energy: -0.12268728335245215
Energy: 0.7701326100831675
Energy: 0.4980995011488812
Energy: 0.7701326100845596
Energy: 0.014639893809757179
Energy: 1.0322220409053586
Energy: 0.4028521477458092
Energy: 1.0322220408990934
Energy: -0.12056272329154634
Energy: 0.9093640339550997
Energy: -0.0641427863070328
Energy: 0.9093640339113083
Energy: 0.1756845508213006
Energy: 0.8913929230320289
Energy: 0.11130854517991659
Energy: 0.8913929230278522
Energy: 0.05303550798248512
Energy: 0.7591114037220025
Energy: -0.22758952473943428
Energy: 0.7591114035696186
Energy: 0.04078478218771782
Energy: 0.7378928232011682
Energy: -0.39029092169361407
Energy: 0.737892823259641
Energy: 0.23693840198847554
Energy: 0.7632156702950093
Energy: -0.24437734191907634
Energy: 0.7632156712636086
Energy: 0.4135634122714703
Energy: 0.9076924652268809
Energy: -0.2531467568337847
Energy: 0.9076924652282731
Energy: 0.42680351540968825
Energy: 0.7354568518147394
Energy: -0.06856977137970881
Energy: 0.7354568516324863
Energy: 0.1552935063533175
Energy: 0.8623601932439379
Energy: -0.2326812239097003
Energy: 0.8623601932300158
Energy: -0.14285769733085454
Energy: 0.7660338109785829
Energy: -0.10546310409067544
Energy: 0.7660338119506627
Energy: 0.05589200590830126
Energy: 0.9951288659900557
Energy: -0.16071074006314548
Energy: 0.9951288659879675
Energy: -0.12143237160700376
Energy: 0.9050970170639369
Energy: -0.05116909103028812
Energy: 0.9050970170590641
Energy: 0.09056616062121661
Energy: 0.8834880700740915
Energy: 0.0021822581270128
Energy: 0.8834880700894058
Energy: 0.06232370591228522
Energy: 0.8876360175880524
Energy: 0.3211915318496229
Energy: 0.8876360175922291
Energy: -0.12864944978860196
Energy: 0.9056964518612597
Energy: 0.3159876612122407
Energy: 0.9056964518647401
Energy: 0.06204238373746519
Energy: 1.0065311068328449
Energy: -0.15217783345949326
Energy: 1.0065311068252512
Energy: -0.12732744710320826
Energy: 0.7869109439876456
Energy: -0.1765474880997431
Energy: 0.7869109439132256
Energy: 0.12280380643337181
Energy: 0.8749182089364467
Energy: -0.26033038183583956
Energy: 0.8749182089489765
Energy: 0.5952494738212009
Energy: 0.7422991351057212
Energy: -0.24639696081371776
Energy: 0.7422991350883817
Energy: 0.4137840952546215
Energy: 0.9007180480366737
Energy: -0.3915429268319811
Energy: 0.9007180480422425
Energy: 0.22987643682071257
Energy: 0.7523206045908949
Energy: -0.20276890358887117
Energy: 0.752320604917242
Energy: 0.1552465673940656
Energy: 0.7347299732991784
Energy: -0.38828145754271115
Energy: 0.7347299732887368
Energy: 0.028831984025246237
Energy: 0.7349553657577798
Energy: 0.08002518613890967
Energy: 0.7349520140707004
Energy: 0.11837846349349043
Energy: 0.8712630872342026
Energy: 0.2521696132434516
Energy: 0.8712630872967888
Energy: -0.1096667015073821
Energy: 0.7182939761684919
Energy: -0.07611960801109238
Energy: 0.7182939758024669
Energy: 0.21092551189623468
Energy: 1.0314332844284875
Energy: 0.5396637034538443
Energy: 1.0314332844125402
Energy: -0.10074041803279878
Energy: 0.7387999740935456
Energy: 0.4978350461693643
Energy: 0.738799973142349
Energy: 0.21125623504833407
Energy: 0.5792989673976309
Energy: 0.06607742278195687
Energy: 0.5792991705402699
Energy: -0.15173419444705585
Energy: 0.9197595224573084
Energy: 0.08055482907016198
Energy: 0.9197595225693181

minimum gb energy = -0.5034501853707742 eV
minimum distance =  2.19527580144931 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.6526448298498868
Energy: 0.671098109492683
Energy: -0.17197657383416345
Energy: 0.6710981094627424
Energy: 0.7435241536072281
Energy: 0.7620515827554062
Energy: 0.38246602244599026
Energy: 0.7620515827542086
Energy: 0.4341891784991724
Energy: 1.03501661239516
Energy: 0.2520878264487418
Energy: 1.0350166123975553
Energy: 0.41549945196812516
Energy: 0.6498708461874401
Energy: 0.2799416497776073
Energy: 0.6498708464041013
Energy: 0.2761276732069936
Energy: 0.7944049496690324
Energy: 0.28794125814391924
Energy: 0.7944049496666371
Energy: -0.04032382027492209
Energy: 0.9293324732803968
Energy: 0.31037395190188155
Energy: 0.9293324732791992
Energy: 0.3208222583308788
Energy: 1.1321325521243006
Energy: 0.7681886209346055
Energy: 1.1321325521254983
Energy: 0.19323313142589488
Energy: 0.44685740155575276
Energy: 0.44533118565661134
Energy: 0.44685740155575276
Energy: 0.2735665597669079
Energy: 0.76519214142336
Energy: 0.6271165645723058
Energy: 0.7651921414221624
Energy: 0.2692500399601512
Energy: 0.7615951070952307
Energy: 0.2696782879808597
Energy: 0.7615951070964283
Energy: 0.27912012612311493
Energy: 1.0331976888961705
Energy: 0.31232717280153216
Energy: 1.0331976888554784
Energy: 0.6456913563181095
Energy: 0.7568328151838228
Energy: 0.28467450677693756
Energy: 0.7568328151766642
Energy: 0.42826000696649763
Energy: 0.9016500058379889
Energy: 0.028261033565485
Energy: 0.901650004877929
Energy: 0.7874687603276386
Energy: 1.128977513421669
Energy: 0.2516275018708882
Energy: 1.128977513421669
Energy: 0.6522975192643005
Energy: 0.6840587656858554
Energy: 0.19334374576889446
Energy: 0.6840587656846577
Energy: 0.6117470754485214
Energy: 0.7247229157274045
Energy: 0.25960202858199816
Energy: 0.7247229157250092
Energy: 0.43800999439397964
Energy: 0.753052666705217
Energy: -0.006762748651077885
Energy: 0.753052666726747
Energy: 0.417404651371974
Energy: 1.032838935024394
Energy: 0.29661149812986326
Energy: 1.0328389350267893
Energy: 0.30476673558923295
Energy: 0.4356627568777348
Energy: 0.2581892956953466
Energy: 0.43566275687533956
Energy: 0.25988940404888033
Energy: 0.9827290552781449
Energy: 0.40546222084155065
Energy: 0.9827290552781449

minimum gb energy = -0.17197657383416345 eV
minimum distance =  2.19533906224593 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.37547587314157205
Energy: 0.8529209303428049
Energy: -0.8526312365627611
Energy: 0.8529209303428049
Energy: 0.2179808466874697
Energy: 0.8591391771149706
Energy: 0.30146557846985383
Energy: 0.8591391771131003
Energy: 0.31662264009660324
Energy: 0.26927315116600237
Energy: -0.2987480302861444
Energy: 0.2692731511678727
Energy: -0.027847976050102356
Energy: 0.8308108378091269
Energy: 0.30254892855038656
Energy: 0.8308108378072991
Energy: 0.31429417631100465
Energy: 0.848315020514372
Energy: -0.07901404655967903
Energy: 0.8483150205134367
Energy: -0.40576850440358436
Energy: 0.8594326470668877
Energy: 0.3026757302473476
Energy: 0.8594326470659525
Energy: 0.3049347158962682
Energy: 0.5991301634072929
Energy: -0.07806472736991367
Energy: 0.5991301633567927
Energy: -0.5665534144895555
Energy: 0.6569689672126386
Energy: 0.30742692174779573
Energy: 0.6569689672855409
Energy: 0.3093528376027713
Energy: 0.8490494159232467
Energy: 0.1868536358245626
Energy: 0.849049415925117
Energy: -0.41102833170082154
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Energy: 0.3769821785696252
Energy: 0.8458416878394271
Energy: 0.31080444505714266
Energy: 0.6024816041134934
Energy: 0.2501014502204072
Energy: 0.6024816041144285
Energy: -0.34456852026951285
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Energy: 0.31254967898183866
Energy: 0.8401883546270674
Energy: 0.3041237859233613
Energy: 0.8422007956882837
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Energy: -0.07362422398540848
Energy: 0.8142500530561572
Energy: 0.30043087007354224
Energy: 0.8142500530561572
Energy: 0.3059088279845915
Energy: 0.6173752576565049
Energy: -0.40794960479290915
Energy: 0.6173752576574402
Energy: -0.09219237342424273
Energy: 0.8576353287817694
Energy: 0.2750396698330848
Energy: 0.857635328777136
Energy: 0.27225055834728634
Energy: 0.646619377704484
Energy: -0.5695621473848889
Energy: 0.6466193776914338
Energy: 0.22462530853066517
Energy: 0.8416532296002508
Energy: 0.30126837839710136
Energy: 0.8416532296049268
Energy: 0.3701568892681165
Energy: 0.826829967424858
Energy: -0.4044333165685396
Energy: 0.826829967420182
Energy: 0.3197700128277078
Energy: 0.8554671856350319
Energy: 0.2732277558604036
Energy: 0.8554671936095941
Energy: 0.27580357786089965
Energy: 0.8562716471967321
Energy: -0.04541691093534081
Energy: 0.8562716471640005
Energy: 0.012765833600919362
Energy: 0.8366949135628807
Energy: 0.3002820583503116
Energy: 0.8366949137965501
Energy: 0.2955103466974759
Energy: 0.8109084928105892
Energy: 0.278464227888167
Energy: 0.8109084928152651
Energy: -0.40767882320588167
Energy: 0.8527437409668607
Energy: 0.2582010428846346
Energy: 0.8527437409303884
Energy: 0.28147376003132496
Energy: 0.8752096254478499
Energy: 0.3483273709604468
Energy: 0.8752096254478499
Energy: 0.0235968507113691
Energy: 0.6342679175067241
Energy: 0.26818810424254064
Energy: 0.6342679175085945

minimum gb energy = -0.8526312365627611 eV
minimum distance =  2.2119190364768 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.6358165845031434
Energy: 0.686038889171045
Energy: -1.215622119920176
Energy: 0.6860388891741118
Energy: -0.03908687449369203
Energy: 0.7008703889982141
Energy: -0.43939683308272826
Energy: 0.7008703889966807
Energy: 0.24373588137898708
Energy: 0.6040530518969995
Energy: -0.7273569858323758
Energy: 0.6040530519015999
Energy: -0.29022279312027305
Energy: 0.6372912343607731
Energy: -0.27535239827146923
Energy: 0.6372912343638398
Energy: -0.16365821410645467
Energy: 0.7055216422496328
Energy: -0.7484013328546751
Energy: 0.7055216422457992
Energy: -0.5486585100635684
Energy: 0.632279565674911
Energy: 0.007839851790137046
Energy: 0.6322795656657105
Energy: -0.35045972104230433
Energy: 0.6970857835838177
Energy: -0.0416340559605684
Energy: 0.6970857835738504
Energy: -0.3330905062347564
Energy: 0.5207152154761489
Energy: -0.25473325146204967
Energy: 0.5207152152585104
Energy: 0.18293967379397125
Energy: 0.6700444718130342
Energy: -0.027636583303443228
Energy: 0.6700444718076671
Energy: -0.4153842523232929
Energy: 0.615330226283082
Energy: 0.2517556848308349
Energy: 0.6153302262792834
Energy: -0.38973104195183655
Energy: 0.7105623904133855
Energy: -0.100533925196742
Energy: 0.710562390417219
Energy: -0.4143730140448984
Energy: 0.6667089650247049
Energy: 0.636718491977398
Energy: 0.6667089650300718
Energy: 0.18149558739503813
Energy: 0.6530943581925419
Energy: 0.051370602735563674
Energy: 0.6530943802982039
Energy: -0.49872103720112826
Energy: 0.7405027394365704
Energy: 0.2503899511039117
Energy: 0.7405027394365704
Energy: -0.12591311671057878
Energy: 0.6972565687651878
Energy: -0.2595253519407757
Energy: 0.697256568767488
Energy: -0.1015591413007602
Energy: 0.6743645878877108
Energy: -0.24425222542495081
Energy: 0.6743645878800437
Energy: 0.17232493470874172
Energy: 0.6658764954171891
Energy: -0.5484588653931934
Energy: 0.6658764947665736
Energy: -0.5292690594095524
Energy: 0.7117251608244846
Energy: -0.16508531090122583
Energy: 0.7117251601608003
Energy: -0.4864821710572668
Energy: 0.5326395088359707
Energy: -0.3579901572022452
Energy: 0.5326395088367375
Energy: 0.2443673528603098
Energy: 0.7489055321939195
Energy: 0.17420637750168588
Energy: 0.7489055322000531
Energy: 0.26046493314629576
Energy: 0.6909530785665483
Energy: -0.2990091942979315
Energy: 0.6909530786516173
Energy: -0.06687569116738476
Energy: 0.7200439609213657
Energy: -0.032688664258378776
Energy: 0.7200439609527657
Energy: 0.3951779077880732
Energy: 0.7154163062576405
Energy: -0.13883536941677177
Energy: 0.7154163062584071
Energy: -0.004535098055586045
Energy: 0.44256942745028793
Energy: 0.18183249903948598
Energy: 0.44256945237385503
Energy: 0.25787408031351666
Energy: 0.7062699897036029
Energy: -0.46897184768805955
Energy: 0.7062699897043695
Energy: -0.19852779781032018
Energy: 0.7203146555003052
Energy: -0.3183407854513091
Energy: 0.7203146554114027
Energy: -0.324715587525254
Energy: 0.6769217857300778
Energy: -0.0831502075575787
Energy: 0.6769217857331447
Energy: -0.08954015947206247
Energy: 0.6462169134048329
Energy: 0.02509142921850735
Energy: 0.6462169127388833
Energy: 0.18566585470628294
Energy: 0.7649928441452826
Energy: -0.47724198403871537
Energy: 0.7649928441468159
Energy: -0.13590137150960946
Energy: 0.7101532536016157
Energy: 0.11182858803359343
Energy: 0.7101532552722573
Energy: 0.09934425176267575
Energy: 0.7366291237588727
Energy: 0.21641512906444427
Energy: 0.7366291237596394
Energy: -0.2964691110576364
Energy: 0.6896344245945121
Energy: 0.2594196483616319
Energy: 0.6896344246037125

minimum gb energy = -1.215622119920176 eV
minimum distance =  2.2198133863456 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.36587702827642593
Energy: 0.6159238879244743
Energy: -1.952003952676479
Energy: 0.6159238879257732
Energy: -0.35012999228822167
Energy: -0.2717794012603932
Energy: -0.43300885526774396
Energy: -0.31835364885517287
Energy: -0.2391372919094573
Energy: 0.31206529995292914
Energy: -0.6604068002288571
Energy: 0.31206530009186384
Energy: -0.3172192594215291
Energy: 0.5908414530230056
Energy: -0.4358183309148275
Energy: 0.5908414530217067
Energy: -0.5016851898388196
Energy: 0.5876481201233693
Energy: -0.5748763467090953
Energy: 0.5876481201181731
Energy: -0.3676090191369679
Energy: 0.5633249022730565
Energy: -0.44172721785428337
Energy: 0.5633249022834488
Energy: 0.10651719504848083
Energy: 0.5516128266377123
Energy: -0.8431402976984119
Energy: 0.5516128266416094
Energy: -0.31622200120067534
Energy: 0.6124972774759608
Energy: -0.6853853660134691
Energy: 0.6124972774817474
Energy: -0.6788192676723375
Energy: 0.6149077436315091
Energy: -0.5174893390890901
Energy: 0.6149077436289112
Energy: -0.8189393444342085
Energy: 0.5551444771416357
Energy: -0.3924078908378413
Energy: 0.5551444771474812
Energy: -0.1421807452316104
Energy: 0.5745088379735113
Energy: -0.3829635968191462
Energy: 0.5745088379787072
Energy: -1.1491491824088107
Energy: 0.2352448208022618
Energy: -0.25130402116265116
Energy: 0.2352449775721466
Energy: -0.6590968697692751
Energy: 0.5316102900953602
Energy: -0.2078574565871411
Energy: 0.5316102900888652
Energy: -0.5674449160487912
Energy: 0.6008658685871461
Energy: 0.252936934106905
Energy: 0.6008658685585679
Energy: 0.0768126792976903
Energy: 0.5694889911035627
Energy: -0.4287743254640457
Energy: 0.5694889910983666
Energy: -1.219078846314548
Energy: 0.11307067446386554
Energy: -0.2819601675846508
Energy: 0.16215512269417187
Energy: -0.6560554558897379
Energy: 0.13111167728378859
Energy: -0.3394598074667839
Energy: 0.13188425047830565
Energy: -0.5614038980753866
Energy: 0.61173579976297
Energy: -0.41648710885051704
Energy: 0.6117357997649185
Energy: 0.08271743527876035
Energy: 0.5142587287657058
Energy: -0.654834219586155
Energy: 0.5142587287760979
Energy: -0.07998580547664381
Energy: -0.4014613009745537
Energy: -0.4105017091834791
Energy: -0.34178245335459256
Energy: -0.6810549152368034
Energy: 0.5871377869027352
Energy: -0.3258299073761973
Energy: 0.5871377869124778
Energy: 0.06780787570829688
Energy: 0.6138155921565931
Energy: -0.535482317016555
Energy: 0.6138155921604901
Energy: 0.22952758370604429
Energy: 0.49746225644667047
Energy: -0.5002855175426115
Energy: 0.4974622564492685
Energy: -0.4002815242142566
Energy: -0.27245916457716807
Energy: -0.5044949684818105
Energy: -0.27532495523504
Energy: -0.08695344711616872
Energy: 0.5938892461728682
Energy: -0.6164921820421498
Energy: 0.593889246327391
Energy: 0.030116342434438944
Energy: 0.6089534364139043
Energy: -0.5570425382638716
Energy: 0.608953436443073
Energy: 0.4326078394876251
Energy: 0.6065574888953081
Energy: -0.9203978644078207
Energy: 0.6065574888940091
Energy: -0.2738052967889288
Energy: -0.28923801750984884
Energy: -0.4879222722474452
Energy: -0.28955025673547846
Energy: 0.25872210521666716
Energy: 0.6305085548442398
Energy: -1.398334100863144
Energy: 0.630508554835796
Energy: -0.46122924452739666
Energy: 0.6054459215657192
Energy: -0.7400342505236341
Energy: 0.6054459215566261
Energy: -0.27705006215958466
Energy: 0.6048053238289354
Energy: -0.5984439922276744
Energy: 0.6048053238269868
Energy: -0.568548554453771
Energy: -0.2608338150136239
Energy: -0.6471873592957887
Energy: -0.26083607053948044
Energy: -0.5945461974427951
Energy: 0.6246416859660817
Energy: 0.031018064719850243
Energy: 0.6246416857946718
Energy: -0.28293187448633594
Energy: 0.5987420100264235
Energy: -0.48464969195146856
Energy: 0.5987420100238255
Energy: -0.5230015729864362
Energy: 0.6058799235871378
Energy: 0.11816556012356964
Energy: 0.6058799235929242
Energy: -0.335731274607072
Energy: -0.3674581782416124
Energy: -0.44316388142916785
Energy: -0.37191793314689053
Energy: -0.37398172775382416
Energy: 0.6243691621694143
Energy: -0.38594289873592763
Energy: 0.6243691623251771

minimum gb energy = -1.952003952676479 eV
minimum distance =  2.23606213781012 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.6354601776045717
Energy: 0.5387644219936133
Energy: -0.9588022827261168
Energy: 0.5387644219941766
Energy: 0.5867460730184318
Energy: 0.5428837967038223
Energy: 0.10165596683883386
Energy: 0.5428837966948092
Energy: 0.591622834991476
Energy: 0.5555070431218099
Energy: -0.5015924077332425
Energy: 0.5555070431009927
Energy: 0.276142375902279
Energy: 0.5233052427208376
Energy: 0.10259933074437215
Energy: 0.5233052427703837
Energy: 0.215580456124394
Energy: 0.4739736194123807
Energy: -0.3708684635549966
Energy: 0.473973619358328
Energy: 0.20744827952396955
Energy: 0.3638073174702728
Energy: 0.06254722317456193
Energy: 0.36380731789201687
Energy: 0.11976626410831095
Energy: 0.53107103519677
Energy: -0.4038860136984779
Energy: 0.5310710352080363
Energy: -0.029652960109759343
Energy: 0.3611314040943627
Energy: 0.10412546536867855
Energy: 0.3611316661371176
Energy: 0.08038647529176754
Energy: 0.48822673127443594
Energy: -0.02124286877791956
Energy: 0.4882267312665496
Energy: -0.018585250486072586
Energy: 0.518618957976104
Energy: 0.12276412131650272
Energy: 0.5186189579783318
Energy: 0.07343142324868726
Energy: 0.3474552353670929
Energy: 0.0636803417796717
Energy: 0.3474552360962536
Energy: -0.387469152351618
Energy: 0.37186744789245463
Energy: 0.21499307789533276
Energy: 0.3718674473744348
Energy: 0.14421064830957034
Energy: 0.48784200587569804
Energy: 0.4894903393158321
Energy: 0.48784200586668497
Energy: -0.8902276208858629
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Energy: 0.34701303108228376
Energy: 0.5453195722691749
Energy: 0.07375487631757328
Energy: 0.528898789680013
Energy: 0.6026570673854158
Energy: 0.5288987897498386
Energy: -0.40460353205893884
Energy: 0.5263008372888998
Energy: 0.5742059084549789
Energy: 0.5263008372900264
Energy: 0.1456575016107586
Energy: 0.4887661198233148
Energy: 0.7233172820918421
Energy: 0.4887661198221882
Energy: -0.786935322001279
Energy: 0.518012298645301
Energy: 0.4192683263488626
Energy: 0.518012298241583
Energy: 0.11321131785331444
Energy: 0.5238270470620573
Energy: 0.5539602465154889
Energy: 0.523827047052481
Energy: -0.345195187044312
Energy: 0.5378702723967115
Energy: 0.2119998878463256
Energy: 0.5378702725515719
Energy: 0.0882404420226461
Energy: 0.13871981425371196
Energy: 0.3008893158263037
Energy: 0.13871981439784392
Energy: -0.2608098425602868
Energy: 0.33658189112729764
Energy: 0.11729134214248901
Energy: 0.33658189160140445
Energy: 0.07571143623139735
Energy: 0.5112424451826203
Energy: 0.04534637668632843
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Energy: 0.10968160605741864
Energy: 0.5444767148844539
Energy: 0.11056578950221436
Energy: 0.37504913415334773
Energy: -0.1632209232993578
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Energy: -0.020993560777396482
Energy: 0.5210730498444119
Energy: 0.08017837727703253
Energy: 0.5210730279484913
Energy: 0.1998767795171872
Energy: 0.34404143644244733
Energy: -0.26356002442363585
Energy: 0.344041319492077
Energy: 0.3065811343848752
Energy: 0.5516020686769771
Energy: 0.10297142261384581
Energy: 0.5516020686792049
Energy: 0.6070545396412851
Energy: 0.5132015574984468
Energy: -0.9859833423055088
Energy: 0.5132015574843638
Energy: 0.6623874180742543
Energy: 0.5676668335730868
Energy: 0.07974397425690558
Energy: 0.5676668335488898
Energy: 0.6360628585204907
Energy: 0.5370799769589633
Energy: -0.4273631252218441
Energy: 0.5370799769893824
Energy: 0.6297489507760614
Energy: 0.5442693181198545
Energy: 0.10142687182285375
Energy: 0.5442693203726813
Energy: 0.39659931439816737
Energy: 0.516145390595191
Energy: -0.8488607615682195
Energy: 0.5161453905383218
Energy: 0.47697463131676293
Energy: 0.3648716346183712
Energy: 0.0788642309427727
Energy: 0.36486938860785356
Energy: 0.22235967603903514
Energy: 0.5336433319853685
Energy: -0.12143438669218899
Energy: 0.533643332010692
Energy: 0.13553042245029448
Energy: 0.5518326684993412
Energy: 0.10251731908155222
Energy: 0.5518326685044109
Energy: 0.11046359277005445
Energy: 0.34698648951839783
Energy: -0.1113781109077002
Energy: 0.34698648951445465
Energy: 0.1324135318046434
Energy: 0.5348204217106096
Energy: 0.07237751757491685
Energy: 0.5348204216914569
Energy: 0.1165092870219175
Energy: 0.5398136632255308
Energy: 0.04795019734932022
Energy: 0.5398136630577396
Energy: -0.20402374382964095
Energy: 0.5610935171405604
Energy: 0.09226613926160297
Energy: 0.5610935171839101
Energy: 0.06031596697098861
Energy: 0.5242750482055979
Energy: 0.3551721975997352
Energy: 0.5242750481802486
Energy: -0.38199579573656395
Energy: 0.3668580531465899
Energy: 0.16968863248595295
Energy: 0.36685764264430865
Energy: 0.11663044092750297
Energy: 0.53319480618422
Energy: 0.3721795846210542
Energy: 0.5331948061898532

minimum gb energy = -0.9859833423055088 eV
minimum distance =  2.24463098813255 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.016602353829368553
Energy: 0.017249531913072484
Energy: 1.345868656672086
Energy: 0.017249531910113327
Energy: 0.4819256577540131
Energy: -5.397218119860723
Energy: -5.398841434354887
Energy: -5.397218119871718
Energy: 0.016602353829368553
Energy: 0.017249531913072484
Energy: 1.2544444717571763
Energy: 0.017249531910113327
Energy: 0.4819256577540131
Energy: -5.397218119867917
Energy: -5.398841434356572
Energy: -5.397218119871718
Energy: 0.016602353829368553
Energy: 0.01724953191350553
Energy: 0.4817835155256567
Energy: 0.017249531909704335
Energy: 0.4819256577540131
Energy: -5.397218119866233
Energy: -5.3988414343620805
Energy: -5.397218119861133

minimum gb energy = -5.3988414343620805 eV
minimum distance =  2.45521799827841 Angstroms
sigma value = 1