Model name: model_name=EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0320824623107905
cohesive_energy=3.3602642540255827
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.012786831711585466
Energy: 0.2308199087810056
Energy: 0.36914986925824167
Energy: 0.23072048157388886
Energy: 0.01278683171137964
Energy: 0.23081990878141725
Energy: 0.3691498692576471
Energy: 0.25081108144840897
Energy: 0.01314208076528131
Energy: 0.12082983621536116
Energy: 0.013291715616021424
Energy: 0.2508110814500098
Energy: 0.013142080764686703
Energy: 0.12082983621577281
Energy: 0.01278683171176842
Energy: 0.23081990878061684
Energy: 0.3691498692580359
Energy: 0.23072048157427766
Energy: 0.012786831711585466
Energy: 0.2308199087820119
Energy: 0.369149869257853
Energy: 0.25081108144840897
Energy: 0.01314208076569296
Energy: 0.12082983621536116
Energy: 0.013291715616021424
Energy: 0.2508110814500098
Energy: 0.013142080764480878
Energy: 0.12082983621577281
Energy: 0.012786831711585466
Energy: 0.23081990878082265
Energy: 0.369149869257853
Energy: 0.23072048157407182
Energy: 0.012786831711585466
Energy: 0.23081990878162312
Energy: 0.3691498692576471
Energy: 0.25081108144820313
Energy: 0.013142080765487138
Energy: 0.12082983621536116
Energy: 0.013291715616021424
Energy: 0.2508110814500098
Energy: 0.013142080764480878
Energy: 0.12082983621556698

minimum gb energy = 0.01278683171137964 eV
minimum distance =  2.82556773403079 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.5782699018251553
Energy: 0.5787597270362517
Energy: 0.5936104008771288
Energy: 0.5786617244029778
Energy: 0.5782699018226966
Energy: 0.5787597270485451
Energy: 0.5936104008845049
Energy: 0.5298830832111534
Energy: 0.5633326506569031
Energy: 0.5451692538583477
Energy: 0.5547701644651503
Energy: 0.5298830832086948
Energy: 0.5633326506372782
Energy: 0.5451692538583477
Energy: 0.5315350419727879
Energy: 0.5384064729882968
Energy: 0.5690453613319376
Energy: 0.5373216914871543
Energy: 0.5315350419777052
Energy: 0.5384064729882968
Energy: 0.5690453613270202
Energy: 0.5719614367200971
Energy: 0.5599699025115682
Energy: 0.5980522773318204
Energy: 0.54503165104502
Energy: 0.5719614367176385
Energy: 0.5599699025041921
Energy: 0.5980522773318204
Energy: 0.530101755240269
Energy: 0.5216900974010772
Energy: 0.5322902643422153
Energy: 0.5537685087113096
Energy: 0.5301017552280204
Energy: 0.5216900973961599
Energy: 0.532290264344674
Energy: 0.5400408188334325
Energy: 0.5631305601560926
Energy: 0.5415589187559893
Energy: 0.5550844030034018
Energy: 0.5400408188383498
Energy: 0.5631305601511752
Energy: 0.541558918765824
Energy: 0.5255809752184522
Energy: 0.5501523821253872
Energy: 0.6046946596457475
Energy: 0.5775532064176316
Energy: 0.525580975228287
Energy: 0.5501523821278459
Energy: 0.6046946596531235
Energy: 0.524677868756733
Energy: 0.5411106935569326
Energy: 0.6114956029883583
Energy: 0.5488166770202862
Energy: 0.5246778687518157
Energy: 0.5411106935593913
Energy: 0.6114956029859443
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Energy: 0.5820797613527484
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Energy: 0.5314211511905531
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Energy: 0.5396411389624952
Energy: 0.5314211511880943
Energy: 0.5690955489022522
Energy: 0.5808513278261187
Energy: 0.5376687677192854
Energy: 0.5472488527544261
Energy: 0.537700650750105
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Energy: 0.5392774003115162
Energy: 0.5533868939862877
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Energy: 0.5601284556560638
Energy: 0.5864547012646754
Energy: 0.5459232598502385
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Energy: 0.5601284556413118
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Energy: 0.5843633274995195
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Energy: 0.5389062745351133
Energy: 0.5358988541665779
Energy: 0.5843633274946022
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Energy: 0.571763192962414
Energy: 0.5734529312806061
Energy: 0.5837501322095849
Energy: 0.558195512742179
Energy: 0.5717631929697453
Energy: 0.5734529312756887
Energy: 0.5355226634196886
Energy: 0.5410378427512308
Energy: 0.5486104500043338
Energy: 0.5555652037169468
Energy: 0.5355226634221473
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Energy: 0.5486104500018751
Energy: 0.5276691271896139
Energy: 0.5269199887709721
Energy: 0.5838122264844351
Energy: 0.5418794098337549
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Energy: 0.5838122264918111
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Energy: 0.5346677971195067
Energy: 0.6291968458388882
Energy: 0.5447774421208981
Energy: 0.5441193087958419
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Energy: 0.5582207702659348
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Energy: 0.552327399243075
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Energy: 0.5309329636721071
Energy: 0.5538980603630744
Energy: 0.5873231122354038
Energy: 0.538484009777144
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Energy: 0.5538980603704504
Energy: 0.5873231122280278
Energy: 0.5494599244656908
Energy: 0.5414705522319894
Energy: 0.5402648038472444
Energy: 0.5769281896407604
Energy: 0.5494599244730669
Energy: 0.5414705522492002
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Energy: 0.5713233701353261
Energy: 0.551849842108652
Energy: 0.5823380863965315
Energy: 0.5410734787902574
Energy: 0.5713233701353261
Energy: 0.5518498421061933
Energy: 0.5823380863965315
Energy: 0.562771582302147
Energy: 0.5630004377104784
Energy: 0.5669731715562928
Energy: 0.574168239963326
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Energy: 0.5630004377251857
Energy: 0.5669731715562928
Energy: 0.5536447004785611
Energy: 0.5493341996874171
Energy: 0.593639960185624
Energy: 0.5469353251664664
Energy: 0.5536447004810198
Energy: 0.5493341996898758
Energy: 0.5936399601905414
Energy: 0.5308085138008274
Energy: 0.5565617446223637
Energy: 0.5798544683102267
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Energy: 0.5500125196784064
Energy: 0.5924477013440691
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Energy: 0.5477506116735373
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Energy: 0.5477506116686198
Energy: 0.609642398339403
Energy: 0.5447605348941402
Energy: 0.5328877157543027
Energy: 0.6012736464781189
Energy: 0.5489479408616433
Energy: 0.5447605349088923
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Energy: 0.6012736464904123
Energy: 0.5286823015289703
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Energy: 0.5753363002913127
Energy: 0.5672292726061332
Energy: 0.5286823015338877
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Energy: 0.5753363002863953
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Energy: 0.5693817145677597
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Energy: 0.5449199385652107
Energy: 0.5950031701025563
Energy: 0.5347711980340671
Energy: 0.520302525264388
Energy: 0.544919938570128
Energy: 0.5950031700927215
Energy: 0.530064376384119
Energy: 0.5406965038777781
Energy: 0.568555910217015
Energy: 0.5384775493229559
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Energy: 0.5406965038802368
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Energy: 0.5453995194528953
Energy: 0.5416864451763327
Energy: 0.5769510303800567
Energy: 0.5455696810837587
Energy: 0.545399519447978
Energy: 0.5416864451689567
Energy: 0.5769510303898914
Energy: 0.5558445187906689
Energy: 0.5849256758102398
Energy: 0.558608915325263
Energy: 0.5643903802506958
Energy: 0.5558445187955863
Energy: 0.5849256758004051
Energy: 0.5586089153277217
Energy: 0.5609094509754147
Energy: 0.5296527994414932
Energy: 0.5782119069178046
Energy: 0.5576550029224114
Energy: 0.5609094509901666
Energy: 0.5296527994390345
Energy: 0.5782119069350152
Energy: 0.5548311734792272
Energy: 0.5322368412647652
Energy: 0.5660511607671567
Energy: 0.5485986309466645
Energy: 0.5548311734816858
Energy: 0.5322368412623065
Energy: 0.5660511607794501
Energy: 0.5832182610063303
Energy: 0.5464673001937931
Energy: 0.5717017305587354
Energy: 0.6023007395799492
Energy: 0.5832182610014577
Energy: 0.5464673002060418
Energy: 0.5717017305513594
Energy: 0.5560837149449842
Energy: 0.5482880000329753
Energy: 0.5668778819292863
Energy: 0.563982707227262
Energy: 0.5560837149572776
Energy: 0.5482880000428101
Energy: 0.5668778819219104
Energy: 0.520199797759043
Energy: 0.5330133888518892
Energy: 0.5791416792485691
Energy: 0.5501553387207737
Energy: 0.5201997977492082
Energy: 0.5330133888543478
Energy: 0.5791416792608626
Energy: 0.5312351097296567
Energy: 0.5570737647512028
Energy: 0.6084812343008436
Energy: 0.5461778406115422
Energy: 0.5312351097198219
Energy: 0.5570737647512028
Energy: 0.6084812343180545
Energy: 0.5235720522307905
Energy: 0.5651994151434767
Energy: 0.5899008834555839
Energy: 0.5378781831329119
Energy: 0.523572052235708
Energy: 0.5651994151606874
Energy: 0.5899008834653738

minimum gb energy = 0.5201997977492082 eV
minimum distance =  2.56459528904458 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.6002973375132381
Energy: 0.5984342880768402
Energy: 0.6022769021755907
Energy: 0.5497990566106796
Energy: 0.6002973375182616
Energy: 0.5984342880773984
Energy: 0.6022769021806144
Energy: 0.528716245667967
Energy: 0.5787927630475215
Energy: 0.5624599483244412
Energy: 0.5388324271264517
Energy: 0.5287162456693878
Energy: 0.5787927630475215
Energy: 0.5624599483233249
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Energy: 0.5749193117166601
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Energy: 0.542012929560553
Energy: 0.5749193117186391
Energy: 0.5401146855816985
Energy: 0.5500963955918394
Energy: 0.550433846021711
Energy: 0.5548476714882988
Energy: 0.5401146855772332
Energy: 0.5500963955920931
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Energy: 0.5403818996657092
Energy: 0.5459334385896785
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Energy: 0.5738218159358374
Energy: 0.5403818996665717
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Energy: 0.5803160475237721
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Energy: 0.5803160475243303
Energy: 0.5391286804621335
Energy: 0.5451100635906544
Energy: 0.577314858591808
Energy: 0.5468678716492457
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Energy: 0.577314858593178
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Energy: 0.6151604517550429
Energy: 0.5486840176993096
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Energy: 0.570117605081005
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Energy: 0.5984342880765865
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Energy: 0.5500963955940213
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Energy: 0.5403818996645928
Energy: 0.5459334385885621
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Energy: 0.5171603803016238
Energy: 0.5470951143294964
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Energy: 0.5468678716514784
Energy: 0.5391286804643662
Energy: 0.5451100635842608
Energy: 0.5773148585934823
Energy: 0.5288951738177877
Energy: 0.52199861637038
Energy: 0.615160451754231
Energy: 0.5486840176978888
Energy: 0.5288951738194623
Energy: 0.5219986163698218
Energy: 0.6151604517522521
Energy: 0.5305925813203277
Energy: 0.5743727866426214
Energy: 0.5692618150543354
Energy: 0.5460329849072333
Energy: 0.5305925813225604
Energy: 0.5743727866420633
Energy: 0.5692618150534727
Energy: 0.5394892605330633
Energy: 0.6097992784220032
Energy: 0.5512243964449806
Energy: 0.5231786011248525
Energy: 0.5394892605344842
Energy: 0.609799278424794
Energy: 0.5512243964435598
Energy: 0.5366812398808225
Energy: 0.567597564375584
Energy: 0.55751887684358
Energy: 0.5244277569965237
Energy: 0.536681239883867
Energy: 0.5675975643753303
Energy: 0.5575188768480455
Energy: 0.5259352950408498
Energy: 0.5370462677150398
Energy: 0.5807942956804981
Energy: 0.5780883599136983
Energy: 0.525935295042778
Energy: 0.5370462677181351
Energy: 0.5807942956816144
Energy: 0.5386257694788352
Energy: 0.5701176050813094
Energy: 0.5894191748969922
Energy: 0.5927431756684975
Energy: 0.5386257694805097
Energy: 0.5701176050798886
Energy: 0.5894191748916643
Energy: 0.5815730699901663
Energy: 0.5984342880773984
Energy: 0.6048634278312752
Energy: 0.549799056611796
Energy: 0.5815730699932109
Energy: 0.5984342880773984
Energy: 0.604863427832087
Energy: 0.5287162456688296
Energy: 0.5787927630472169
Energy: 0.579530912052177
Energy: 0.5387267115176858
Energy: 0.528716245669946
Energy: 0.5787927630472169
Energy: 0.5795309120555259

minimum gb energy = 0.5171603802982748 eV
minimum distance =  2.54292855564962 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.5875355290913857
Energy: 0.5422495161020746
Energy: 0.6226607806934225
Energy: 0.5399840527655188
Energy: 0.5875355290926747
Energy: 0.5422495161017523
Energy: 0.6226607806966451
Energy: 0.5633717790222038
Energy: 0.5542130288557257
Energy: 0.5804402106879833
Energy: 0.5528307122471154
Energy: 0.5633717790241373
Energy: 0.5542130288570147
Energy: 0.5804402106889502
Energy: 0.5427598177816824
Energy: 0.5508217099051085
Energy: 0.622432606184081
Energy: 0.534213085247087
Energy: 0.5427598177810379
Energy: 0.550821709905753
Energy: 0.6224326061821475
Energy: 0.5436495263410426
Energy: 0.5391160907740348
Energy: 0.5968450877128604
Energy: 0.5467210210852326
Energy: 0.5436495263423315
Energy: 0.5391160907724234
Energy: 0.5968450877102822
Energy: 0.5416466193507026
Energy: 0.535888473469443
Energy: 0.5754342728408768
Energy: 0.5365854839376301
Energy: 0.5416466193494136
Energy: 0.5358884734713766
Energy: 0.5754342728408768
Energy: 0.5478546401335419
Energy: 0.532852896721992
Energy: 0.5935670654440592
Energy: 0.5504979603882015
Energy: 0.5478546401322528
Energy: 0.5328528967229588
Energy: 0.5935670654437369
Energy: 0.5481806301364618
Energy: 0.5353452065434188
Energy: 0.564132341616801
Energy: 0.5473212426461949
Energy: 0.5481806301400066
Energy: 0.535345206542452
Energy: 0.5641323416174455
Energy: 0.5540245408631077
Energy: 0.5519145143679953
Energy: 0.6309611524228629
Energy: 0.5304922743666516
Energy: 0.5540245408614964
Energy: 0.5519145143673507
Energy: 0.6309611524225407
Energy: 0.5451341342813794
Energy: 0.5415808422499204
Energy: 0.6004160126827217
Energy: 0.5288346121953456
Energy: 0.5451341342820238
Energy: 0.541580842250887
Energy: 0.6004160126820772
Energy: 0.5540085918395179
Energy: 0.548147244087802
Energy: 0.6002806276268301
Energy: 0.5350842611196306
Energy: 0.5540085918401625
Energy: 0.548147244089091
Energy: 0.6002806276271524
Energy: 0.5661246197589868
Energy: 0.5493336842454892
Energy: 0.5816565085202237
Energy: 0.5431999732167456
Energy: 0.5661246197602758
Energy: 0.5493336842461337
Energy: 0.5816565085192569
Energy: 0.5659467375814478
Energy: 0.5486329559012408
Energy: 0.589968546000471
Energy: 0.5601529518815753
Energy: 0.565946737580481
Energy: 0.5486329559009185
Energy: 0.5899685459978931
Energy: 0.5437399818532835
Energy: 0.548132249093057
Energy: 0.5893837392036222
Energy: 0.565155706248311
Energy: 0.5437399818529612
Energy: 0.5481322490911235
Energy: 0.5893837392033
Energy: 0.5384788383260286
Energy: 0.5394660130840723
Energy: 0.5954760102694082
Energy: 0.5384219868650998
Energy: 0.5384788383269954
Energy: 0.5394660130834278
Energy: 0.5954760102665081
Energy: 0.5487197746507618
Energy: 0.5350213937113248
Energy: 0.5975072974333951
Energy: 0.5579276773040416
Energy: 0.5487197746517286
Energy: 0.5350213937122916
Energy: 0.597507297433073
Energy: 0.5556157078366364
Energy: 0.5599194424509659
Energy: 0.6027978944172454
Energy: 0.550470472791568
Energy: 0.5556157078363141
Energy: 0.5599194424509659
Energy: 0.6027978944166009
Energy: 0.5707550341800404
Energy: 0.5361127565948044
Energy: 0.5893520270653363
Energy: 0.5513915782076977
Energy: 0.5707550341787514
Energy: 0.536112756595449
Energy: 0.5893520270634026
Energy: 0.5615357547906544
Energy: 0.535023538836394
Energy: 0.6076255041428543
Energy: 0.5540941076485258
Energy: 0.5615357547919435
Energy: 0.535023538836394
Energy: 0.6076255041415654
Energy: 0.544101203135459
Energy: 0.5288537307829003
Energy: 0.5901620234800875
Energy: 0.5288450371387449
Energy: 0.5441012031351367
Energy: 0.528853730782578
Energy: 0.5901620234804098
Energy: 0.5446192418634823
Energy: 0.541065830653021
Energy: 0.6367163194536225
Energy: 0.5518734837531668
Energy: 0.5446192418638045
Energy: 0.541065830653021
Energy: 0.6367163194536225
Energy: 0.5447156789419638
Energy: 0.5507186045873749
Energy: 0.5984641378567744
Energy: 0.5352782102383893
Energy: 0.5447156789403527
Energy: 0.550718604587697
Energy: 0.5984641378548408
Energy: 0.543879416617421
Energy: 0.5518861986351336
Energy: 0.5756901009686676
Energy: 0.5380574851982736
Energy: 0.5438794166183878
Energy: 0.5518861986341668
Energy: 0.5756901009693122
Energy: 0.5583619906994255
Energy: 0.5368056324036594
Energy: 0.5877778640344483
Energy: 0.5358510388428083
Energy: 0.5583619906991032
Energy: 0.5368056324046262
Energy: 0.5877778640341262
Energy: 0.5459448203441801
Energy: 0.5414715181321188
Energy: 0.6184361654308752
Energy: 0.5375135072601571
Energy: 0.545944820342891
Energy: 0.5414715181324411
Energy: 0.6184361654308752
Energy: 0.541431311893131
Energy: 0.5321470451537887
Energy: 0.5946303888364558
Energy: 0.5482357701052889
Energy: 0.541431311893131
Energy: 0.5321470451534664
Energy: 0.5946303888383893
Energy: 0.5632187339068543
Energy: 0.560903838681834
Energy: 0.5819323510500289
Energy: 0.5586668032528923
Energy: 0.5632187339091101
Energy: 0.5609038386821563
Energy: 0.5819323510493845
Energy: 0.5774586047934286
Energy: 0.5352857593533519
Energy: 0.6284403626838645
Energy: 0.5399847092342741
Energy: 0.5774586047937507
Energy: 0.5352857593523851
Energy: 0.6284403626841868
Energy: 0.5721815220223337
Energy: 0.5538666726831313
Energy: 0.5963770227545964
Energy: 0.5513486874521322
Energy: 0.5721815220229783
Energy: 0.55386667268152
Energy: 0.5963770227552408
Energy: 0.5508726335828764
Energy: 0.5512339001520492
Energy: 0.6024797755949944
Energy: 0.5472366865844903
Energy: 0.5508726335838433
Energy: 0.5512339001520492
Energy: 0.6024797755924163
Energy: 0.5474985318769837
Energy: 0.5351070738752255
Energy: 0.6037225623797055
Energy: 0.541699011073367
Energy: 0.547498531877306
Energy: 0.5351070738771591
Energy: 0.6037225623803499
Energy: 0.5436522221603304
Energy: 0.5357230416404263
Energy: 0.6026309563120148
Energy: 0.5434298028427406
Energy: 0.5436522221593637
Energy: 0.5357230416397818
Energy: 0.6026309563126594
Energy: 0.5439903609046592
Energy: 0.5485051543167074
Energy: 0.5753445018683103
Energy: 0.5524156639080622
Energy: 0.5439903609040146
Energy: 0.548505154318641
Energy: 0.5753445018676657
Energy: 0.544841162469653
Energy: 0.5355578574582874
Energy: 0.6029114218603254
Energy: 0.5551594022413897
Energy: 0.544841162469653
Energy: 0.5355578574579652
Energy: 0.6029114218600031
Energy: 0.554534969837943
Energy: 0.5523585331776272
Energy: 0.6260999114280321
Energy: 0.532240668173341
Energy: 0.5545349698382652
Energy: 0.552358533178594
Energy: 0.6260999114283544
Energy: 0.5471899093264921
Energy: 0.5289258962335451
Energy: 0.6119904675967802
Energy: 0.531325968196694
Energy: 0.547189909324881
Energy: 0.5289258962306448
Energy: 0.6119904675971025
Energy: 0.5530428115980714
Energy: 0.5456214466582323
Energy: 0.6076710282299693
Energy: 0.5354822399412223
Energy: 0.5530428115980714
Energy: 0.5456214466595213
Energy: 0.6076710282299693

minimum gb energy = 0.5288346121953456 eV
minimum distance =  2.55586725598633 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.5314694533772288
Energy: 0.5264200357671879
Energy: 0.5989470281439779
Energy: 0.5264268470784758
Energy: 0.5314694533734255
Energy: 0.5264200357660469
Energy: 0.5989470281432171
Energy: 0.5150242273848429
Energy: 0.5342106260010523
Energy: 0.5085699384532484
Energy: 0.534296037528583
Energy: 0.5150242273810396
Energy: 0.534210626000672
Energy: 0.5085699384547696
Energy: 0.5316771091611892
Energy: 0.5033473929468718
Energy: 0.5729799704720019
Energy: 0.5113098719915617
Energy: 0.5316771091649926
Energy: 0.5033473929495342
Energy: 0.5729799704704807
Energy: 0.5338785963196665
Energy: 0.5342396430409541
Energy: 0.5095171996894547
Energy: 0.5681871367728902
Energy: 0.5338785963185255
Energy: 0.5342396430417148
Energy: 0.5095171996860317
Energy: 0.5621781307456839
Energy: 0.5107957924005101
Energy: 0.5495751828897714
Energy: 0.5112352516029454
Energy: 0.5621781307434021
Energy: 0.5107957923986084
Energy: 0.54957518288825
Energy: 0.53549596361181
Energy: 0.5183743868202935
Energy: 0.6126816352156695
Energy: 0.5178361674784864
Energy: 0.5354959636102887
Energy: 0.5183743868233363
Energy: 0.6126816352126269
Energy: 0.5914845768722456
Energy: 0.5693954167159646
Energy: 0.5567596245814854
Energy: 0.5115240558792091
Energy: 0.5914845768733867
Energy: 0.569395416711781
Energy: 0.5567596245780624
Energy: 0.5362866656947054
Energy: 0.5143037463665286
Energy: 0.6069035725837322
Energy: 0.514289933170662
Energy: 0.5362866656969872
Energy: 0.5143037463646617
Energy: 0.6069035725810698
Energy: 0.5909636069374115
Energy: 0.5115188789784784
Energy: 0.5683737132647722
Energy: 0.5696383538180543
Energy: 0.5909636069347493
Energy: 0.511518878979239
Energy: 0.5683737132632509
Energy: 0.5354330268780916
Energy: 0.5178403662512701
Energy: 0.6126622699044987
Energy: 0.5183737226253307
Energy: 0.5354330268803735
Energy: 0.5178403662562143
Energy: 0.6126622699094083
Energy: 0.5622190075148644
Energy: 0.5112453965536261
Energy: 0.6403923297344543
Energy: 0.5106411644572834
Energy: 0.5622190075171465
Energy: 0.5112453965574295
Energy: 0.6403923297386378
Energy: 0.5352612244413422
Energy: 0.5175765250668541
Energy: 0.5089772951688286
Energy: 0.5341196275209815
Energy: 0.5352612244390602
Energy: 0.5175765250691361
Energy: 0.5089772951741532
Energy: 0.5315276347634506
Energy: 0.5114244709221997
Energy: 0.5298631704520543
Energy: 0.5031964908299464
Energy: 0.5315276347577457
Energy: 0.5114244709229604
Energy: 0.5298631704547168
Energy: 0.5150186840322409
Energy: 0.5342976174616567
Energy: 0.5088688421364911
Energy: 0.5341776246506423
Energy: 0.5150186840337623
Energy: 0.5342976174658403
Energy: 0.5088688421357305
Energy: 0.5314694533783698
Energy: 0.5264200357679485
Energy: 0.5975268333127389
Energy: 0.5264268470780954
Energy: 0.5314694533741863
Energy: 0.5264200357671879
Energy: 0.5975268333123586
Energy: 0.5150242273840823
Energy: 0.5342106260002917
Energy: 0.5085699384543894
Energy: 0.5342960375293437
Energy: 0.5150242273818002
Energy: 0.5342106259995311
Energy: 0.5085699384555304
Energy: 0.5316771091608088
Energy: 0.5033473929483931
Energy: 0.5816654930644218
Energy: 0.5113098719919421
Energy: 0.5316771091634712
Energy: 0.5033473929502948
Energy: 0.5816654930663235
Energy: 0.5338785963204272
Energy: 0.5342396430413344
Energy: 0.5095171996890744
Energy: 0.5681871367732706
Energy: 0.5338785963189059
Energy: 0.5342396430428558
Energy: 0.5095171996860317
Energy: 0.562178130746825
Energy: 0.5107957924020313
Energy: 0.5115786668353423
Energy: 0.5112352516021847
Energy: 0.5621781307437824
Energy: 0.5107957924001297
Energy: 0.511578666829257
Energy: 0.5354959636129509
Energy: 0.5183743868202935
Energy: 0.6126816352152893
Energy: 0.5178361674788667
Energy: 0.53549596361181
Energy: 0.5183743868237165
Energy: 0.6126816352122466
Energy: 0.5914845768733867
Energy: 0.5693954167171056
Energy: 0.5317915779507096
Energy: 0.5115240558784484
Energy: 0.5914845768737669
Energy: 0.5693954167110203
Energy: 0.5317915779552737
Energy: 0.5362866656947054
Energy: 0.5143037463672894
Energy: 0.6069035725841123
Energy: 0.5142899331699013
Energy: 0.5362866656973676
Energy: 0.514303746365768
Energy: 0.6069035725818304
Energy: 0.5909636069374115
Energy: 0.5115188789788586
Energy: 0.5209052908431125
Energy: 0.5696383538169133
Energy: 0.5909636069339885
Energy: 0.511518878979239
Energy: 0.5209052908412108
Energy: 0.5354330268780916
Energy: 0.517840366253552
Energy: 0.612662269903738
Energy: 0.5183737226245699
Energy: 0.5354330268799932
Energy: 0.5178403662573553
Energy: 0.6126622699097887
Energy: 0.5622190075137236
Energy: 0.5112453965524851
Energy: 0.6382273753869874
Energy: 0.510641164458044
Energy: 0.5622190075163859
Energy: 0.5112453965566688
Energy: 0.6382273753862268
Energy: 0.5352612244402011
Energy: 0.5175765250717985
Energy: 0.5089772951684483
Energy: 0.5341196275221225
Energy: 0.5352612244382995
Energy: 0.5175765250679951
Energy: 0.5089772951745336
Energy: 0.5315276347642113
Energy: 0.51142447092258
Energy: 0.5288160833600934
Energy: 0.5031964908314679
Energy: 0.5315276347585064
Energy: 0.5114244709221997
Energy: 0.5288160833650378
Energy: 0.5150186840315149
Energy: 0.5342976174624173
Energy: 0.5088688421376321
Energy: 0.5341776246506423
Energy: 0.5150186840326213
Energy: 0.5342976174646993
Energy: 0.5088688421376321
Energy: 0.5314694533783698
Energy: 0.5264200357671879
Energy: 0.5593407397058763
Energy: 0.5264268470780954
Energy: 0.5314694533722846
Energy: 0.5264200357660469
Energy: 0.5593407397119615
Energy: 0.5150242273852232
Energy: 0.5342106260010523
Energy: 0.508569938452868
Energy: 0.5342960375293437
Energy: 0.51502422738142
Energy: 0.534210626000672
Energy: 0.5085699384547696

minimum gb energy = 0.5031964908299464 eV
minimum distance =  2.61450094533245 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.5195425121660875
Energy: 0.5748613651943144
Energy: 0.5581291662278481
Energy: 0.5748854207923643
Energy: 0.5195425121665491
Energy: 0.5748613651929293
Energy: 0.5581291662269247
Energy: 0.5370296200760926
Energy: 0.5047566333581174
Energy: 0.5554550932992421
Energy: 0.5073439879832438
Energy: 0.5370296200728606
Energy: 0.5047566333618111
Energy: 0.5554550932997039
Energy: 0.5195017677269719
Energy: 0.5361393134547628
Energy: 0.5323950475225535
Energy: 0.5250824281099306
Energy: 0.5195017677297421
Energy: 0.5361393134570713
Energy: 0.5323950475248621
Energy: 0.531329314771095
Energy: 0.5141478161669129
Energy: 0.5896953792472266
Energy: 0.5137235708622288
Energy: 0.5313293147761737
Energy: 0.5141478161687597
Energy: 0.5896953792463032
Energy: 0.5049236989877329
Energy: 0.5413114836292683
Energy: 0.5219125117628255
Energy: 0.5229252334440821
Energy: 0.504923698984501
Energy: 0.5413114836320385
Energy: 0.5219125117642105
Energy: 0.531481799207933
Energy: 0.5295770625241156
Energy: 0.5317766811897443
Energy: 0.5204961151726468
Energy: 0.5314817992056245
Energy: 0.5295770625278092
Energy: 0.5317766811869741
Energy: 0.5232407635735113
Energy: 0.5413083590335679
Energy: 0.5674184000764425
Energy: 0.509656852988519
Energy: 0.5232407635721262
Energy: 0.5413083590321828
Energy: 0.567418400077366
Energy: 0.524204544332134
Energy: 0.5072670215932025
Energy: 0.531243651590814
Energy: 0.5202397103254763
Energy: 0.5242045443344425
Energy: 0.5072670215895089
Energy: 0.531243651590814
Energy: 0.5233557847925427
Energy: 0.5185921218212204
Energy: 0.5544951841087586
Energy: 0.5279448495743814
Energy: 0.5233557847893107
Energy: 0.5185921218198353
Energy: 0.5544951841069118
Energy: 0.5202004494550868
Energy: 0.5156643697576156
Energy: 0.5478827698495097
Energy: 0.519616981251913
Energy: 0.5202004494541633
Energy: 0.515664369757154
Energy: 0.5478827698495097
Energy: 0.5299636534039369
Energy: 0.5357468074238697
Energy: 0.5557802833038542
Energy: 0.5149154731795174
Energy: 0.5299636534039369
Energy: 0.5357468074238697
Energy: 0.5557802833006222
Energy: 0.4925203629621047
Energy: 0.523282058011042
Energy: 0.532692029348336
Energy: 0.5034478662617665
Energy: 0.49252036296626
Energy: 0.5232820580105804
Energy: 0.532692029346951
Energy: 0.5533041479995074
Energy: 0.5255375011181914
Energy: 0.5394659690041317
Energy: 0.5161729749032863
Energy: 0.5533041479995074
Energy: 0.525537501117268
Energy: 0.5394659690041317
Energy: 0.49427888992098545
Energy: 0.5243711125035904
Energy: 0.529298662088516
Energy: 0.5077877248499095
Energy: 0.4942788899191387
Energy: 0.5243711125026669
Energy: 0.5292986620880543
Energy: 0.5461773678397486
Energy: 0.5173188277583266
Energy: 0.5619568584757071
Energy: 0.5131686715402544
Energy: 0.5461773678365166
Energy: 0.5173188277578651
Energy: 0.5619568584747837
Energy: 0.49462194322468517
Energy: 0.53761477391114
Energy: 0.5511949960110029
Energy: 0.5398794667304911
Energy: 0.49462194322191494
Energy: 0.5376147739097549
Energy: 0.5511949960119263
Energy: 0.5467578427582918
Energy: 0.5172192399647938
Energy: 0.5300279068443491
Energy: 0.5132405391141601
Energy: 0.5467578427596768
Energy: 0.5172192399647938
Energy: 0.5300279068471193
Energy: 0.49474037894013895
Energy: 0.5130114555199395
Energy: 0.5238156665839601
Energy: 0.5410999602752485
Energy: 0.4947403789429092
Energy: 0.5130114555250183
Energy: 0.5238156665844217
Energy: 0.519848731320708
Energy: 0.5173184043858268
Energy: 0.5411025163068796
Energy: 0.5130772217808329
Energy: 0.5198487313202463
Energy: 0.5173184043835183
Energy: 0.5411025163018008
Energy: 0.49337373778577565
Energy: 0.5269176198858108
Energy: 0.5166699005937858
Energy: 0.5269844396064279
Energy: 0.4933737377848522
Energy: 0.5269176198848874
Energy: 0.5166699005928624
Energy: 0.519841616091344
Energy: 0.5130897679628701
Energy: 0.5399589310370505
Energy: 0.5173100120043261
Energy: 0.5198416160936526
Energy: 0.5130897679605616
Energy: 0.5399589310388974
Energy: 0.4947362424231907
Energy: 0.5412118088902765
Energy: 0.5237948559620448
Energy: 0.5130998318988911
Energy: 0.4947362424231907
Energy: 0.5412118088907384
Energy: 0.5237948559629683
Energy: 0.5466224166689615
Energy: 0.5132110990990743
Energy: 0.5393364797569229
Energy: 0.5171160424190435
Energy: 0.5466224166694232
Energy: 0.5132110990986126
Energy: 0.5393364797555378
Energy: 0.49462019823374426
Energy: 0.5399692567437047
Energy: 0.5511903103235783
Energy: 0.5375923138247494
Energy: 0.4946201982318974
Energy: 0.5399692567437047
Energy: 0.5511903103245018
Energy: 0.5460771400256352
Energy: 0.5131771829121685
Energy: 0.557439708733072
Energy: 0.5172431816046177
Energy: 0.5460771400265586
Energy: 0.5131771829112451
Energy: 0.5574397087316869

minimum gb energy = 0.4925203629621047 eV
minimum distance =  2.56372796564803 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.5710272533249972
Energy: 0.5721180581351638
Energy: 0.566629615528324
Energy: 0.5721238066716248
Energy: 0.5710272533270586
Energy: 0.5721180581377405
Energy: 0.5666296155278087
Energy: 0.5667453596371119
Energy: 0.5379548531374018
Energy: 0.59640390716434
Energy: 0.5378956580524279
Energy: 0.566745359631443
Energy: 0.5379548531551579
Energy: 0.5964039071736164
Energy: 0.5714649816460314
Energy: 0.5461557149195719
Energy: 0.5506493615256627
Energy: 0.5387384049533325
Energy: 0.571464981640878
Energy: 0.546155714915168
Energy: 0.5506493615174171
Energy: 0.5104008812235904
Energy: 0.5508335482252342
Energy: 0.6242362810516843
Energy: 0.5360657577966411
Energy: 0.5104008812338974
Energy: 0.5508335482259837
Energy: 0.6242362810485922
Energy: 0.5761454880136966
Energy: 0.5082790299449821
Energy: 0.533660579001626
Energy: 0.5228069647377682
Energy: 0.5761454880139308
Energy: 0.508279029953462
Energy: 0.5336605790021415
Energy: 0.5109257430707935
Energy: 0.5165158829374278
Energy: 0.573069130516334
Energy: 0.510441307922978
Energy: 0.5109257430690132
Energy: 0.5165158829425813
Energy: 0.5730691305119301
Energy: 0.5322815740447366
Energy: 0.5084171179167467
Energy: 0.5612797796525947
Energy: 0.5266745526422848
Energy: 0.5322815740524669
Energy: 0.5084171179237275
Energy: 0.5612797796551714
Energy: 0.5141582879377157
Energy: 0.5075771151927646
Energy: 0.5889424759960017
Energy: 0.5068775907883255
Energy: 0.514158287938231
Energy: 0.5075771151886417
Energy: 0.5889424760065899
Energy: 0.5320859412452467
Energy: 0.5124888735202306
Energy: 0.6015107228353429
Energy: 0.5182515927200073
Energy: 0.5320859412509156
Energy: 0.5124888735245877
Energy: 0.6015107228466339
Energy: 0.49792832436073986
Energy: 0.5071424431855044
Energy: 0.5988087515380773
Energy: 0.506854101545944
Energy: 0.4979283243710469
Energy: 0.5071424431885965
Energy: 0.5988087515409352
Energy: 0.5322349373863589
Energy: 0.5245417244490964
Energy: 0.5923259779849447
Energy: 0.5182387141761311
Energy: 0.5322349373886545
Energy: 0.5245417244545311
Energy: 0.5923259779841482
Energy: 0.497540570324228
Energy: 0.5155327433632613
Energy: 0.6108646705034518
Energy: 0.5298454466808759
Energy: 0.497540570321698
Energy: 0.5155327433611999
Energy: 0.6108646705008751
Energy: 0.5535414833264076
Energy: 0.5200148841979745
Energy: 0.5865487635033987
Energy: 0.519326761379604
Energy: 0.5535414833253769
Energy: 0.5200148841884639
Energy: 0.586548763506491
Energy: 0.5438855934616975
Energy: 0.546593016645586
Energy: 0.6358461229080855
Energy: 0.5296790403802755
Energy: 0.5438855934611823
Energy: 0.5465930166461013
Energy: 0.6358461229026509
Energy: 0.5537228077992057
Energy: 0.5361923030729225
Energy: 0.6418826624015346
Energy: 0.5488877773844589
Energy: 0.5537228078020168
Energy: 0.5361923030651922
Energy: 0.6418826623958658
Energy: 0.5441337309349511
Energy: 0.5191095520989817
Energy: 0.575054483845405
Energy: 0.511993206484079
Energy: 0.5441337309326555
Energy: 0.5191095521033388
Energy: 0.5750544838387055
Energy: 0.5591780341785739
Energy: 0.5193737668255747
Energy: 0.6299892480481808
Energy: 0.5154894291568336
Energy: 0.5591780341729051
Energy: 0.5193737668387396
Energy: 0.6299892480476653
Energy: 0.49736926888316074
Energy: 0.5132759303730423
Energy: 0.6311159843218754
Energy: 0.5149359451665193
Energy: 0.4973692688823643
Energy: 0.5132759303709808
Energy: 0.6311159843164875
Energy: 0.55831171790825
Energy: 0.5380998963851624
Energy: 0.5979491303593057
Energy: 0.5282583926610717
Energy: 0.5583117178943823
Energy: 0.5380998963892852
Energy: 0.5979491303567291
Energy: 0.5071490682313073
Energy: 0.5393638277560577
Energy: 0.61443877461147
Energy: 0.5019307782640082
Energy: 0.5071490682364608
Energy: 0.539363827774095
Energy: 0.6144387746078626
Energy: 0.5323625625778303
Energy: 0.5123388066370244
Energy: 0.5731510101235358
Energy: 0.5516639896354993
Energy: 0.5323625625765185
Energy: 0.512338806632152
Energy: 0.5731510101258783
Energy: 0.5069078317795596
Energy: 0.5054930222819662
Energy: 0.6160277147331252
Energy: 0.5093251665670705
Energy: 0.5069078317803091
Energy: 0.5054930222806545
Energy: 0.6160277147282059
Energy: 0.5312538477592864
Energy: 0.5070443872820805
Energy: 0.5762111386253342
Energy: 0.5443242834508781
Energy: 0.531253847769078
Energy: 0.5070443872715392
Energy: 0.5762111386248189
Energy: 0.5312310160435735
Energy: 0.5204998347794223
Energy: 0.6076920091168331
Energy: 0.5067375587885171
Energy: 0.531231016050273
Energy: 0.5204998347825144
Energy: 0.6076920091160366
Energy: 0.5322385750803967
Energy: 0.5369980427489947
Energy: 0.5852186618168781
Energy: 0.5553349841531686
Energy: 0.5322385750837231
Energy: 0.5369980427459026
Energy: 0.5852186618215163
Energy: 0.5269436353592832
Energy: 0.5436308516596443
Energy: 0.5920948918551987
Energy: 0.5174260252149478
Energy: 0.5269436353613447
Energy: 0.5436308516599254
Energy: 0.5920948918693476
Energy: 0.5844547914194583
Energy: 0.5364207860900908
Energy: 0.6024848577392526
Energy: 0.5578057901253147
Energy: 0.5844547914168816
Energy: 0.5364207860903251
Energy: 0.6024848577392526
Energy: 0.519403716647984
Energy: 0.5563291994067883
Energy: 0.5887163934956977
Energy: 0.5683193246997028
Energy: 0.5194037166405349
Energy: 0.5563291994155491
Energy: 0.5887163935041776
Energy: 0.5844807504595761
Energy: 0.5302877707490805
Energy: 0.6323593193458198
Energy: 0.5578370714966674
Energy: 0.5844807504665099
Energy: 0.5302877707498771
Energy: 0.6323593193525193
Energy: 0.5201356495762691
Energy: 0.5283918423638897
Energy: 0.5914098284075359
Energy: 0.5446764175622484
Energy: 0.5201356495639006
Energy: 0.5283918423667476
Energy: 0.5914098284085666
Energy: 0.5280453312080887
Energy: 0.5304574448368732
Energy: 0.5983858001411024
Energy: 0.5699312690750074
Energy: 0.5280453312029351
Energy: 0.5304574448312043
Energy: 0.5983858001470523
Energy: 0.5315563824798637
Energy: 0.5044633124281538
Energy: 0.5713709948782797
Energy: 0.5196467674017589
Energy: 0.5315563824793482
Energy: 0.5044633124361183
Energy: 0.571370994875703
Energy: 0.5214482003869604
Energy: 0.5117916473596813
Energy: 0.6164651285431701
Energy: 0.5488079736715317
Energy: 0.5214482003813383
Energy: 0.5117916473548089
Energy: 0.6164651285411087
Energy: 0.5081957137085001
Energy: 0.5044772325533898
Energy: 0.5562786883362468
Energy: 0.5195973362968187
Energy: 0.5081957137121076
Energy: 0.5044772325490328
Energy: 0.5562786883331549
Energy: 0.5112038023006599
Energy: 0.4955174226407152
Energy: 0.5779293442327645
Energy: 0.5444344461749063
Energy: 0.511203802302206
Energy: 0.49551742263991877
Energy: 0.5779293442345449
Energy: 0.508046710363081
Energy: 0.5076617343465825
Energy: 0.5675417368532487
Energy: 0.5088668966435356
Energy: 0.5080467103669227
Energy: 0.5076617343360412
Energy: 0.5675417368504376
Energy: 0.5088083816687016
Energy: 0.5005218156519529
Energy: 0.5596860167603238
Energy: 0.5537972111862034
Energy: 0.5088083816733397
Energy: 0.5005218156519529
Energy: 0.559686016770912
Energy: 0.5186519792387327
Energy: 0.5062044805127515
Energy: 0.568414994960521
Energy: 0.5087420567790804
Energy: 0.5186519792382174
Energy: 0.5062044805093783
Energy: 0.5684149949551333
Energy: 0.5087187406577808
Energy: 0.5303460986666099
Energy: 0.5984089762943066
Energy: 0.5495391223554813
Energy: 0.5087187406691186
Energy: 0.5303460986686712
Energy: 0.5984089762997412
Energy: 0.5188194645802972
Energy: 0.5333316448058248
Energy: 0.5816593837969867
Energy: 0.5332651489828419
Energy: 0.5188194645758932
Energy: 0.5333316448122433
Energy: 0.5816593838028898
Energy: 0.5614004566960582
Energy: 0.5343843631534707
Energy: 0.6162265690002542
Energy: 0.5494691495509665
Energy: 0.5614004566891243
Energy: 0.5343843631467712
Energy: 0.6162265690079846
Energy: 0.5186731722928271
Energy: 0.5310474898220503
Energy: 0.6195527089266357
Energy: 0.5566068998697262
Energy: 0.5186731722900161
Energy: 0.5310474898143199
Energy: 0.6195527089176404
Energy: 0.5469969637977083
Energy: 0.534413672776176
Energy: 0.6394062399593026
Energy: 0.555883421069455
Energy: 0.5469969638008004
Energy: 0.5344136727841406
Energy: 0.6394062399438422
Energy: 0.5271645820815479
Energy: 0.5198956095888544
Energy: 0.614243834398254
Energy: 0.5363944667387192
Energy: 0.5271645820684299
Energy: 0.5198956095924618
Energy: 0.6142438344067339
Energy: 0.5027472986572893
Energy: 0.5332124629966479
Energy: 0.610727565639549
Energy: 0.557736029240795
Energy: 0.5027472986490904
Energy: 0.5332124629943522
Energy: 0.610727565629523

minimum gb energy = 0.49551742263991877 eV
minimum distance =  2.5532514210763 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.48663509109203046
Energy: 0.48721491695327246
Energy: 0.5736348615262892
Energy: 0.48721491695501534
Energy: 0.4866350910931925
Energy: 0.48721491695501534
Energy: 0.5736348533876987
Energy: 0.4866350910902877
Energy: 0.4872149169567582
Energy: 0.5972120700866629
Energy: 0.48721491695617725
Energy: 0.4866350910908686
Energy: 0.48721491695501534
Energy: 0.5972120701029299
Energy: 0.48663509108912567
Energy: 0.48721491695327246
Energy: 0.573763354985031
Energy: 0.4872149169544343
Energy: 0.48663509108970665
Energy: 0.48721491695501534
Energy: 0.5737633549641427
Energy: 0.48663509109203046
Energy: 0.48721491695327246
Energy: 0.5660570170925454
Energy: 0.48721491695617725
Energy: 0.4866350910914496
Energy: 0.48721491695617725
Energy: 0.5660570184647556
Energy: 0.48663509108912567
Energy: 0.4872149169573392
Energy: 0.6045843868025688
Energy: 0.48721491695617725
Energy: 0.48663509108912567
Energy: 0.4872149169544343
Energy: 0.6045843867171934
Energy: 0.4866350910908686
Energy: 0.4872149169538534
Energy: 0.6947389155548319
Energy: 0.4872149169544343
Energy: 0.48663509108970665
Energy: 0.4872149169555963
Energy: 0.694738915552508
Energy: 0.4866350910914496
Energy: 0.48721491695327246
Energy: 0.5806366776791704
Energy: 0.48721491695501534
Energy: 0.4866350910914496
Energy: 0.48721491695501534
Energy: 0.580636672215311
Energy: 0.48663509108912567
Energy: 0.48721491695617725
Energy: 0.5658011688206364
Energy: 0.4872149169567582
Energy: 0.48663509108970665
Energy: 0.4872149169544343
Energy: 0.5658011710627343
Energy: 0.4866350910902877
Energy: 0.4872149169538534
Energy: 0.5675039397460999
Energy: 0.4872149169538534
Energy: 0.4866350910902877
Energy: 0.4872149169555963
Energy: 0.567503944435297
Energy: 0.4866350910914496
Energy: 0.48721491695327246
Energy: 0.4639594866503582
Energy: 0.48721491695617725
Energy: 0.4866350910914496
Energy: 0.4872149169555963
Energy: 0.4639594905306157
Energy: 0.48663509108970665
Energy: 0.4872149169573392
Energy: 0.6001673510464886
Energy: 0.4872149169555963
Energy: 0.4866350910902877
Energy: 0.48721491695501534
Energy: 0.6001673510476506
Energy: 0.4866350910914496
Energy: 0.4872149169538534
Energy: 0.6295689371133151
Energy: 0.4872149169544343
Energy: 0.48663509108970665
Energy: 0.4872149169555963
Energy: 0.6295689371109913
Energy: 0.48663509109261144
Energy: 0.48721491695327246
Energy: 0.6295689371127341
Energy: 0.4872149169555963
Energy: 0.48663509109261144
Energy: 0.4872149169544343
Energy: 0.6295689371121531
Energy: 0.4866350910902877
Energy: 0.4872149169567582
Energy: 0.629568937113896
Energy: 0.4872149169555963
Energy: 0.4866350910914496
Energy: 0.4872149169544343
Energy: 0.6295689371179629
Energy: 0.48663509108970665
Energy: 0.4872149169544343
Energy: 0.6295689371162199
Energy: 0.48721491695501534
Energy: 0.4866350910902877
Energy: 0.48721491695501534
Energy: 0.6295689371127341
Energy: 0.4866350910914496
Energy: 0.48721491695327246
Energy: 0.6295689371150579
Energy: 0.4872149169567582
Energy: 0.4866350910914496
Energy: 0.4872149169555963
Energy: 0.6295689371127341
Energy: 0.48663509108912567
Energy: 0.4872149169573392
Energy: 0.6295689371127341
Energy: 0.48721491695617725
Energy: 0.48663509108796377
Energy: 0.4872149169544343
Energy: 0.6295689371185438
Energy: 0.48663509108970665
Energy: 0.48721491695327246
Energy: 0.6295689371156389
Energy: 0.4872149169544343
Energy: 0.48663509108970665
Energy: 0.48721491695501534
Energy: 0.6295689371121531
Energy: 0.48663509109203046
Energy: 0.48721491695327246
Energy: 0.629568937113896
Energy: 0.4872149169555963
Energy: 0.48663509109261144
Energy: 0.4872149169544343
Energy: 0.6295689371115722
Energy: 0.4866350910908686
Energy: 0.4872149169567582
Energy: 0.629568937113896
Energy: 0.48721491695617725
Energy: 0.4866350910908686
Energy: 0.4872149169544343
Energy: 0.6295689371179629

minimum gb energy = 0.4639594866503582 eV
minimum distance =  2.64401726950601 Angstroms
sigma value = 23