Model name: model_name=Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
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=4.0469995588064185
cohesive_energy=3.357264015404516
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: 0.012688120962586414
Energy: 0.11458988862220901
Energy: 0.4263976389024546
Energy: 0.11457272490245024
Energy: 0.012688120962586414
Energy: 0.1145898886220047
Energy: 0.04483924439469217
Energy: 0.02889802914272407
Energy: 0.013281127279923805
Energy: 0.10212803319800008
Energy: 0.01324761736232229
Energy: 0.02889802914272407
Energy: 0.013281127279719493
Energy: 0.10212803319820439
Energy: 0.012688120962586414
Energy: 0.1145898886220047
Energy: 0.4263976389048383
Energy: 0.11457272490245024
Energy: 0.012688120962586414
Energy: 0.11458988862220901
Energy: 0.04483924439489648
Energy: 0.028898029142519762
Energy: 0.013281127279923805
Energy: 0.10212803319781846
Energy: 0.013247617362117978
Energy: 0.028898029142519762
Energy: 0.013281127280128115
Energy: 0.10212803319800008
Energy: 0.012688120962586414
Energy: 0.11458988862220901
Energy: 0.029174719961369996
Energy: 0.11457272490265455
Energy: 0.012688120962586414
Energy: 0.11458988862241333
Energy: 0.044839244394283544
Energy: 0.028898029142519762
Energy: 0.013281127279923805
Energy: 0.10212803319781846
Energy: 0.013247617362117978
Energy: 0.028898029142928383
Energy: 0.013281127280128115
Energy: 0.10212803319800008

minimum gb energy = 0.012688120962586414 eV
minimum distance =  2.83376101481579 Angstroms
sigma value = 5


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

Energy: 0.49408724562425477
Energy: 0.48464768612293874
Energy: 0.47046849908467503
Energy: 0.48433423147590593
Energy: 0.49408724562425477
Energy: 0.48464768612293874
Energy: 0.46277958630239213
Energy: 0.4451410029719053
Energy: 0.46068007018865803
Energy: 0.5003580268940769
Energy: 0.46542095557418867
Energy: 0.4451410029719053
Energy: 0.46068007018865803
Energy: 0.5003580268940769
Energy: 0.4681588876433129
Energy: 0.45358860752075114
Energy: 0.4783774786060072
Energy: 0.4623432172790224
Energy: 0.4681588876433129
Energy: 0.45358860752075114
Energy: 0.4621872639687909
Energy: 0.4689258300445304
Energy: 0.4452745151198265
Energy: 0.4604314541275534
Energy: 0.4444887412506417
Energy: 0.4689258300445304
Energy: 0.4452745151198265
Energy: 0.4604314541299939
Energy: 0.45386906810324906
Energy: 0.43667474895760977
Energy: 0.4845226183529809
Energy: 0.4649300863849596
Energy: 0.45386906810324906
Energy: 0.43667474895760977
Energy: 0.4845226183529809
Energy: 0.4748037254736769
Energy: 0.504215582906749
Energy: 0.4664623378287458
Energy: 0.443367242412216
Energy: 0.4748037254736769
Energy: 0.504215582906749
Energy: 0.4664623378287458
Energy: 0.4645404845197921
Energy: 0.47321242146313314
Energy: 0.43002863314432777
Energy: 0.46284191011449594
Energy: 0.4645404845197921
Energy: 0.47321242146313314
Energy: 0.43002863314676837
Energy: 0.4621970061087019
Energy: 0.4447043314841307
Energy: 0.5057380204675729
Energy: 0.4759776709546597
Energy: 0.4621970061087019
Energy: 0.4447043314841307
Energy: 0.5057380204675729
Energy: 0.4480036848259387
Energy: 0.45015082117025684
Energy: 0.5446854465637819
Energy: 0.4544225459413598
Energy: 0.4480036848234981
Energy: 0.45015082117025684
Energy: 0.5446854465637819
Energy: 0.4686689679340185
Energy: 0.446660306186555
Energy: 0.4237051921667548
Energy: 0.4459586818114605
Energy: 0.4686689679340185
Energy: 0.446660306186555
Energy: 0.4237051921667548
Energy: 0.4628405305325228
Energy: 0.4611865242584103
Energy: 0.4761521866005232
Energy: 0.49622304910095244
Energy: 0.4628405305349634
Energy: 0.4611865242584103
Energy: 0.47615218659808267
Energy: 0.48283931862939583
Energy: 0.4815532300874485
Energy: 0.48071230043107543
Energy: 0.4146068794583844
Energy: 0.48283931862939583
Energy: 0.4815532300874485
Energy: 0.48071230043107543
Energy: 0.5019696025225948
Energy: 0.4790792995120969
Energy: 0.5200972024797631
Energy: 0.47243195235685864
Energy: 0.5019696025201542
Energy: 0.4790792995120969
Energy: 0.5200972024797631
Energy: 0.4693276778663378
Energy: 0.47986620295680277
Energy: 0.4976686526125804
Energy: 0.4513865036287128
Energy: 0.4693276778663378
Energy: 0.47986620295680277
Energy: 0.4976686526101398
Energy: 0.4699538530475257
Energy: 0.46516861190287756
Energy: 0.503846042603831
Energy: 0.4753077083624474
Energy: 0.4699538530475257
Energy: 0.46516861190287756
Energy: 0.503846042603831
Energy: 0.48284077420504057
Energy: 0.5026483305045057
Energy: 0.43008929327757894
Energy: 0.48808561234701875
Energy: 0.48284077420504057
Energy: 0.5026483305045057
Energy: 0.43008929327757894
Energy: 0.4593879435653125
Energy: 0.47972899758068654
Energy: 0.49262937919184524
Energy: 0.4619734330806679
Energy: 0.4593879435653125
Energy: 0.47972899758068654
Energy: 0.49262937919184524
Energy: 0.46646853545808004
Energy: 0.4416567524844676
Energy: 0.4273845801849846
Energy: 0.4673462574164522
Energy: 0.46646853545808004
Energy: 0.4416567524844676
Energy: 0.4273845801849846
Energy: 0.4565016467568794
Energy: 0.44779129936961404
Energy: 0.4967952000745971
Energy: 0.4444471861001499
Energy: 0.4565016467568794
Energy: 0.44779129936961404
Energy: 0.4967952000745971
Energy: 0.4577618048996678
Energy: 0.44153919103439876
Energy: 0.46720147380872884
Energy: 0.4565331193300483
Energy: 0.4577618048972716
Energy: 0.4415391910319581
Energy: 0.46720147380872884
Energy: 0.4601689236258337
Energy: 0.4862702333806053
Energy: 0.48867299174689266
Energy: 0.45851595866010975
Energy: 0.4601689236258337
Energy: 0.4862702333806053
Energy: 0.48867299174689266
Energy: 0.46488604112005444
Energy: 0.4990189587188835
Energy: 0.4838082589909085
Energy: 0.44819830894001755
Energy: 0.46488604112005444
Energy: 0.4990189587188835
Energy: 0.48380825898846797
Energy: 0.47096311516565903
Energy: 0.43928947287240705
Energy: 0.49417465917060716
Energy: 0.4506288074223887
Energy: 0.4709631151632184
Energy: 0.43928947286996645
Energy: 0.49417465917060716
Energy: 0.4318386979883012
Energy: 0.4370018443357953
Energy: 0.5101175249241686
Energy: 0.4564253535003617
Energy: 0.4318386979883012
Energy: 0.4370018443357953
Energy: 0.5101175249217281
Energy: 0.4602418967085004
Energy: 0.4511286841729423
Energy: 0.46540993965374494
Energy: 0.4607800488301661
Energy: 0.4602418967060598
Energy: 0.4511286841729423
Energy: 0.46540993965374494
Energy: 0.46265561700254687
Energy: 0.46658053879761874
Energy: 0.46017987937361965
Energy: 0.49065127283275095
Energy: 0.46265561700254687
Energy: 0.4665805387951781
Energy: 0.4601798793760602
Energy: 0.49688050704303655
Energy: 0.46242659963124255
Energy: 0.4694529076583243
Energy: 0.4703684563987127
Energy: 0.49688050704059605
Energy: 0.46242659963124255
Energy: 0.4694529076583243
Energy: 0.48767199933977534
Energy: 0.4850136392972534
Energy: 0.4859777720533584
Energy: 0.4823587512236958
Energy: 0.48767199933977534
Energy: 0.48501363929969393
Energy: 0.4859777720533584
Energy: 0.4977813456671589
Energy: 0.4577160847317695
Energy: 0.4797107074665112
Energy: 0.4665888394431575
Energy: 0.4977813456671589
Energy: 0.4577160847317695
Energy: 0.4797107074665112
Energy: 0.4351799567251909
Energy: 0.45211990558030485
Energy: 0.5039742321028228
Energy: 0.44750686104656434
Energy: 0.4351799567251909
Energy: 0.45211990558030485
Energy: 0.5039742321028228
Energy: 0.45564273231731983
Energy: 0.4856025584040807
Energy: 0.46891148427831064
Energy: 0.4420838772268102
Energy: 0.45564273231731983
Energy: 0.4856025584040807
Energy: 0.46891148427587004
Energy: 0.4655318610875311
Energy: 0.4738697067427486
Energy: 0.4812597105743344
Energy: 0.43591399263152975
Energy: 0.4655318610875311
Energy: 0.4738697067427486
Energy: 0.4812597105743344
Energy: 0.4662959913452288
Energy: 0.45613105997644765
Energy: 0.4648518503365276
Energy: 0.44684948790122686
Energy: 0.4662959913452288
Energy: 0.45613105997888825
Energy: 0.4648518503365276
Energy: 0.4851616662015295
Energy: 0.4441979834060517
Energy: 0.4799608943262216
Energy: 0.47611059270579825
Energy: 0.4851616662015295
Energy: 0.4441979834060517
Energy: 0.4799608943262216
Energy: 0.4588339368205075
Energy: 0.44825646489546556
Energy: 0.47036253030755876
Energy: 0.4710032729282098
Energy: 0.4588339368205075
Energy: 0.448256464893025
Energy: 0.47036253030755876
Energy: 0.4609761166465524
Energy: 0.4667752072552654
Energy: 0.4756271411812274
Energy: 0.45051286087682435
Energy: 0.4609761166465524
Energy: 0.4667752072552654
Energy: 0.4756271411812274
Energy: 0.43719120687244944
Energy: 0.4517664892464354
Energy: 0.46577873036729395
Energy: 0.4673343780954491
Energy: 0.43719120687244944
Energy: 0.4517664892464354
Energy: 0.46577873036729395
Energy: 0.4788454213758733
Energy: 0.4595284214095994
Energy: 0.4784463924354778
Energy: 0.4764711343283437
Energy: 0.4788454213758733
Energy: 0.4595284214095994
Energy: 0.4784463924354778
Energy: 0.4574847777471325
Energy: 0.4710276701968735
Energy: 0.4800050197142767
Energy: 0.44915061023974867
Energy: 0.4574847777471325
Energy: 0.4710276701968735
Energy: 0.4800050197167173
Energy: 0.4814394059774196
Energy: 0.45509840017318
Energy: 0.45628595717225173
Energy: 0.48109073581828676
Energy: 0.4814394059774196
Energy: 0.45509840017318
Energy: 0.45628595717225173
Energy: 0.4885437798318978
Energy: 0.47100507841630235
Energy: 0.501755549495697
Energy: 0.49448923967915975
Energy: 0.4885437798318978
Energy: 0.47100507841630235
Energy: 0.501755549495697
Energy: 0.4826604943711285
Energy: 0.44554665382258773
Energy: 0.48142371644519555
Energy: 0.45798178261065287
Energy: 0.4826604943711285
Energy: 0.44554665382258773
Energy: 0.48142371644519555
Energy: 0.4780927070757715
Energy: 0.47132676504850957
Energy: 0.5162680040316348
Energy: 0.47913796215768156
Energy: 0.4780927070757715
Energy: 0.47132676504850957
Energy: 0.5162680040316348
Energy: 0.5054550501175219
Energy: 0.43858739243135814
Energy: 0.4740932418311011
Energy: 0.43169654458370377
Energy: 0.5054550501175219
Energy: 0.43858739243135814
Energy: 0.4740932418335416
Energy: 0.4385939281866879
Energy: 0.4776252707624111
Energy: 0.48222874571513935
Energy: 0.46082893006976416
Energy: 0.4385939281866879
Energy: 0.4776252707624111
Energy: 0.48222874571513935
Energy: 0.4648935571316149
Energy: 0.4646898369226112
Energy: 0.4370138864665608
Energy: 0.46079348121369684
Energy: 0.4648935571316149
Energy: 0.4646898369226112
Energy: 0.4370138864665608
Energy: 0.4555532738945869
Energy: 0.46357720385761425
Energy: 0.5192193197669602
Energy: 0.4335058527919257
Energy: 0.4555532738945869
Energy: 0.46357720385761425
Energy: 0.5192193197669602

minimum gb energy = 0.4146068794583844 eV
minimum distance =  2.43468209674314 Angstroms
sigma value = 401


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

Energy: 0.4931326185572746
Energy: 0.44331010674719334
Energy: 0.3981293112909233
Energy: 0.4463139294284114
Energy: 0.4931326185572746
Energy: 0.44331010674744514
Energy: 0.3981293112906211
Energy: 0.4758664834486345
Energy: 0.4684750876381977
Energy: 0.4431742131960581
Energy: 0.47163839513818273
Energy: 0.47586648344888643
Energy: 0.4684750876381977
Energy: 0.44317421331236134
Energy: 0.4690995724624265
Energy: 0.4890145990619068
Energy: 0.4283645105097831
Energy: 0.4817366148535298
Energy: 0.4690995724624265
Energy: 0.4890145990619068
Energy: 0.4283645105089268
Energy: 0.4354940349735184
Energy: 0.4924664067928257
Energy: 0.48288942767255966
Energy: 0.4639778436452397
Energy: 0.4354940349735184
Energy: 0.49246640679307757
Energy: 0.4473052194685144
Energy: 0.4286628325170752
Energy: 0.4716381636975119
Energy: 0.48814137480387665
Energy: 0.45087913795086026
Energy: 0.428662832516773
Energy: 0.4716381636975119
Energy: 0.4629792995258533
Energy: 0.4490962727904631
Energy: 0.4817118589995804
Energy: 0.4581156419237701
Energy: 0.47040401790905495
Energy: 0.44909627279071496
Energy: 0.4817118589995804
Energy: 0.4575854622323965
Energy: 0.44786638910381155
Energy: 0.44365957904795783
Energy: 0.4926870947284561
Energy: 0.4419911860712776
Energy: 0.44786638910406346
Energy: 0.4436595790482097
Energy: 0.4926870947279021
Energy: 0.44485571061581125
Energy: 0.46679704931243465
Energy: 0.3863693051935807
Energy: 0.4476621910272192
Energy: 0.44485571061581125
Energy: 0.4667970493126865
Energy: 0.4118654425113979
Energy: 0.45835357354600215
Energy: 0.46914111334335773
Energy: 0.5035881585292328
Energy: 0.47467522993102595
Energy: 0.45835357354600215
Energy: 0.4691411133431058
Energy: 0.5035881585292328
Energy: 0.43586072528592507
Energy: 0.4637527892637536
Energy: 0.4903686445040394
Energy: 0.475841071007457
Energy: 0.43586072528562286
Energy: 0.46375278926345137
Energy: 0.5055239609213605
Energy: 0.4377687776995741
Energy: 0.4791194272107862
Energy: 0.4718010447039686
Energy: 0.48713095357250025
Energy: 0.4377687776995741
Energy: 0.4791194272110884
Energy: 0.4718010447034145
Energy: 0.46797932180842344
Energy: 0.479336913450781
Energy: 0.4626971934959684
Energy: 0.4728393462769583
Energy: 0.46797932180897756
Energy: 0.479336913450781
Energy: 0.4626971934959684
Energy: 0.48274876392910904
Energy: 0.4772561029938087
Energy: 0.5074211233670655
Energy: 0.4617899317949631
Energy: 0.48274876392941124
Energy: 0.47725610299350646
Energy: 0.5038859384835054
Energy: 0.48882816828409803
Energy: 0.44331010674719334
Energy: 0.3981293112911751
Energy: 0.4463139294287136
Energy: 0.48882816828409803
Energy: 0.44331010674719334
Energy: 0.39812931129036927
Energy: 0.47586648344888643
Energy: 0.46847508763789547
Energy: 0.4431742131991306
Energy: 0.47758691187914915
Energy: 0.4758664834486345
Energy: 0.4684750876384495
Energy: 0.44317421331679385
Energy: 0.4690995724621746
Energy: 0.48901459906215866
Energy: 0.4283645105089268
Energy: 0.4817366148529757
Energy: 0.4690995724621746
Energy: 0.4890145990619068
Energy: 0.4283645105097831
Energy: 0.43549403497382055
Energy: 0.49018921108508295
Energy: 0.4503450788359281
Energy: 0.46397784364549155
Energy: 0.43549403497437467
Energy: 0.4901892110845289
Energy: 0.45034507883537406
Energy: 0.42866283251732706
Energy: 0.4707076645699632
Energy: 0.4629792995241912
Energy: 0.4508791379514144
Energy: 0.42866283251732706
Energy: 0.4707076645699632
Energy: 0.4629792995241912
Energy: 0.4515481501831125
Energy: 0.4817118589995804
Energy: 0.45811564192402193
Energy: 0.47040401790905495
Energy: 0.4515481501828103
Energy: 0.4817118589993286
Energy: 0.45758546223159063
Energy: 0.44786638910406346
Energy: 0.4436595790482097
Energy: 0.4547162513419205
Energy: 0.4419911860712776
Energy: 0.44786638910406346
Energy: 0.4436595790482097
Energy: 0.4547162513419205
Energy: 0.4448557106152572
Energy: 0.4667970493129887
Energy: 0.38636930519413476
Energy: 0.44766219102777327
Energy: 0.44485571061555934
Energy: 0.46679704931188054
Energy: 0.3863693051938326
Energy: 0.45835357354600215
Energy: 0.46914111334391173
Energy: 0.49279665503869047
Energy: 0.47467522993047195
Energy: 0.458353573546254
Energy: 0.46914111334365993
Energy: 0.4927966550389423
Energy: 0.43586072528451475
Energy: 0.46375278926345137
Energy: 0.5057679062806896
Energy: 0.475841071007457
Energy: 0.43586072528506886
Energy: 0.46375278926345137
Energy: 0.5057679062806896
Energy: 0.4377687776992719
Energy: 0.47815545503735524
Energy: 0.47180104470422046
Energy: 0.4871309535728024
Energy: 0.437768777699826
Energy: 0.47815545503735524
Energy: 0.4718010447039686
Energy: 0.4678811485329703
Energy: 0.4793369134504788
Energy: 0.4626971934965225
Energy: 0.4728393462767065
Energy: 0.4678811485329703
Energy: 0.4793369134504788
Energy: 0.4626971934959684
Energy: 0.4793064961100526
Energy: 0.4772561029938087
Energy: 0.4875702433581377
Energy: 0.46178993179471123
Energy: 0.4793064961100526
Energy: 0.4772561029938087
Energy: 0.48757024335843985
Energy: 0.4931326185567205
Energy: 0.44331010674830146
Energy: 0.3981293112906211
Energy: 0.4463139294278573
Energy: 0.4931326185567205
Energy: 0.44331010674744514
Energy: 0.398129311290067
Energy: 0.4758664834491886
Energy: 0.4684750876376436
Energy: 0.44317421318663897
Energy: 0.47163839513732636
Energy: 0.47586648344944044
Energy: 0.4684750876376436
Energy: 0.4431742133192619
Energy: 0.4690995724621746
Energy: 0.4890145990624609
Energy: 0.42836451050867497
Energy: 0.48173661485327796
Energy: 0.4690995724621746
Energy: 0.48901459906135275
Energy: 0.4283645105083727
Energy: 0.4354940349746265
Energy: 0.4924664067925235
Energy: 0.4503450788356762
Energy: 0.4639778436452397
Energy: 0.4354940349740724
Energy: 0.4924664067928257
Energy: 0.4503450788359281
Energy: 0.4286628325170752
Energy: 0.47163816369695777
Energy: 0.46297929952474526
Energy: 0.45087913795196843
Energy: 0.4286628325170752
Energy: 0.4716381636975119
Energy: 0.46297929952529937
Energy: 0.4490962727904631
Energy: 0.4817118589995804
Energy: 0.4581156419243242
Energy: 0.4704040179082491
Energy: 0.4490962727901609
Energy: 0.4817118589993286
Energy: 0.4581156419243242
Energy: 0.44786638910406346
Energy: 0.44365957904876374
Energy: 0.38951562920858407
Energy: 0.4419911860712776
Energy: 0.4478663891043656
Energy: 0.4436595790485119
Energy: 0.38951562920858407
Energy: 0.44485571061500534
Energy: 0.4667970493129887
Energy: 0.3863693051935807
Energy: 0.4476621910275214
Energy: 0.4448557106152572
Energy: 0.4667970493126865
Energy: 0.3863693051935807
Energy: 0.45835357354655626
Energy: 0.46914111334446584
Energy: 0.5035881585295351
Energy: 0.47467522993102595
Energy: 0.45835357354655626
Energy: 0.469141113344214
Energy: 0.5035881585297869
Energy: 0.43586072528537106
Energy: 0.46375278926319946
Energy: 0.5057679062806896
Energy: 0.4758410710085651
Energy: 0.43586072528537106
Energy: 0.46375278926289726
Energy: 0.5057679062806896
Energy: 0.4377687776995741
Energy: 0.4791194272107862
Energy: 0.4718010447039686
Energy: 0.4871309535722484
Energy: 0.437768777699826
Energy: 0.4791194272107862
Energy: 0.4718010447036664
Energy: 0.4679793218086753
Energy: 0.47933691345022694
Energy: 0.4626971934956662
Energy: 0.4728393462769583
Energy: 0.4679793218086753
Energy: 0.47933691344967283
Energy: 0.4626971934954144
Energy: 0.48274876393021715
Energy: 0.4772561029943628
Energy: 0.4875702433589939
Energy: 0.46178993179471123
Energy: 0.48274876392966304
Energy: 0.47725610299461463
Energy: 0.48757024335843985
Energy: 0.48882816828409803
Energy: 0.44331010674744514
Energy: 0.3981293112909233
Energy: 0.4463139294287136
Energy: 0.4888281682838462
Energy: 0.4433101067477474
Energy: 0.3981293112911751
Energy: 0.47586648344888643
Energy: 0.46847508763789547
Energy: 0.44317421328299583
Energy: 0.47758691187970315
Energy: 0.47586648344888643
Energy: 0.46847508763789547
Energy: 0.44317421324814016

minimum gb energy = 0.3863693051935807 eV
minimum distance =  2.44021632766519 Angstroms
sigma value = 311


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

Energy: 0.4616902578986889
Energy: 0.4323644597420368
Energy: 0.4888425966528047
Energy: 0.43656620807749297
Energy: 0.4616902578986889
Energy: 0.4323644597420368
Energy: 0.47154009594499763
Energy: 0.48997979841346734
Energy: 0.44723288674353734
Energy: 0.4476166769296938
Energy: 0.4174551895403412
Energy: 0.48997979841346734
Energy: 0.44723288674353734
Energy: 0.4476166769296938
Energy: 0.4555468138881734
Energy: 0.45621477663963766
Energy: 0.4524079192900466
Energy: 0.441283078903917
Energy: 0.4555468138881734
Energy: 0.45621477663963766
Energy: 0.45055903949473175
Energy: 0.4572562824144591
Energy: 0.4215423188538076
Energy: 0.47236475799843974
Energy: 0.43306217764251304
Energy: 0.4572562824144591
Energy: 0.42154231885348775
Energy: 0.47236475799843974
Energy: 0.47895952396863783
Energy: 0.4362796401074642
Energy: 0.5341461435511048
Energy: 0.4267522557855722
Energy: 0.478959523968318
Energy: 0.4362796401074642
Energy: 0.5332622877032399
Energy: 0.46327437924013415
Energy: 0.4424448683604289
Energy: 0.46539197574863
Energy: 0.4113258031574241
Energy: 0.46327437924013415
Energy: 0.4424448683604289
Energy: 0.46539197574863
Energy: 0.46069334377840665
Energy: 0.4378071638405298
Energy: 0.4429134191858265
Energy: 0.42059586528936055
Energy: 0.46069334377840665
Energy: 0.43780716384020985
Energy: 0.4148392394987141
Energy: 0.4620446217136367
Energy: 0.4908999467391262
Energy: 0.4791547737710492
Energy: 0.45192986166168553
Energy: 0.4620446217136367
Energy: 0.4908999467391262
Energy: 0.4791547737752077
Energy: 0.4658545202642445
Energy: 0.4353941554067104
Energy: 0.4413151735032551
Energy: 0.45188951560690044
Energy: 0.46585452026392465
Energy: 0.4353941554070303
Energy: 0.4483630542042602
Energy: 0.4491397763008959
Energy: 0.46091892875787127
Energy: 0.4434155732169608
Energy: 0.44572454042150944
Energy: 0.4491397763008959
Energy: 0.46091892875787127
Energy: 0.4434155732169608
Energy: 0.45555198658252133
Energy: 0.42714358207653014
Energy: 0.4713853700580321
Energy: 0.44126193247653606
Energy: 0.4555519865822014
Energy: 0.42714358207653014
Energy: 0.4713853700580321
Energy: 0.45258194359131143
Energy: 0.4692938772640881
Energy: 0.4365023226601671
Energy: 0.4436892436444965
Energy: 0.45258194359163134
Energy: 0.4692938772640881
Energy: 0.436502322660487
Energy: 0.45423560254709366
Energy: 0.4332667337181153
Energy: 0.4756196184101528
Energy: 0.41407780082680856
Energy: 0.45423560254709366
Energy: 0.4332667337181153
Energy: 0.47561961840983297
Energy: 0.4389923914264054
Energy: 0.44633509880329697
Energy: 0.45306315567394545
Energy: 0.465094738239027
Energy: 0.4389923914264054
Energy: 0.44633509880329697
Energy: 0.4530631556742653
Energy: 0.44383272978084676
Energy: 0.41572138857679003
Energy: 0.4711389317890732
Energy: 0.4341159317598643
Energy: 0.44383272978084676
Energy: 0.41572138857679003
Energy: 0.47113893178875327
Energy: 0.448024109204376
Energy: 0.4345786670896996
Energy: 0.41714580561500764
Energy: 0.4593818329834701
Energy: 0.4480241092040562
Energy: 0.4345786670896996
Energy: 0.41714580561500764
Energy: 0.46042344325540246
Energy: 0.4533151048696938
Energy: 0.4532443215685455
Energy: 0.4370293895930539
Energy: 0.46042344325540246
Energy: 0.4533151048696938
Energy: 0.4532443215685455
Energy: 0.4559337958542352
Energy: 0.48302704806396446
Energy: 0.4171483170312025
Energy: 0.4552562420246393
Energy: 0.4559337958545552
Energy: 0.48302704806396446
Energy: 0.41714831703088256
Energy: 0.4631041849301133
Energy: 0.4783452817726123
Energy: 0.45698951619516387
Energy: 0.4365385858670436
Energy: 0.4631041849301133
Energy: 0.4783452817726123
Energy: 0.4752858636201056
Energy: 0.4620603850082341
Energy: 0.43465020546689287
Energy: 0.4472972609421382
Energy: 0.48847420862445723
Energy: 0.46206038500791413
Energy: 0.43465020546689287
Energy: 0.4472972609549337
Energy: 0.45304733150682724
Energy: 0.4205564737132917
Energy: 0.45594489043276276
Energy: 0.4286314345703583
Energy: 0.45304733150682724
Energy: 0.42055647371361154
Energy: 0.45594489041807684
Energy: 0.463385236842064
Energy: 0.417921622900462
Energy: 0.4510196669005312
Energy: 0.43486695762517885
Energy: 0.463385236842064
Energy: 0.417921622900462
Energy: 0.45101966690021134
Energy: 0.4610233933351886
Energy: 0.42681081747790506
Energy: 0.5055881904126074
Energy: 0.47557234402769494
Energy: 0.4610233933348687
Energy: 0.42681081747790506
Energy: 0.4408371691530064
Energy: 0.44665801330668
Energy: 0.43163769796323675
Energy: 0.45552225036384036
Energy: 0.41143417700029267
Energy: 0.44665801330668
Energy: 0.43163769796323675
Energy: 0.45552225036384036
Energy: 0.4470765689497227
Energy: 0.4342893328876193
Energy: 0.43243924336282735
Energy: 0.46515298658922605
Energy: 0.44707656894940284
Energy: 0.4342893328876193
Energy: 0.40533330530879447
Energy: 0.4672328398073613
Energy: 0.41247212157543545
Energy: 0.4517663586386184
Energy: 0.42736588305393663
Energy: 0.46723283980768116
Energy: 0.41247212157543545
Energy: 0.4517663586386184
Energy: 0.44929864368341604
Energy: 0.4346305416231213
Energy: 0.47906343238355764
Energy: 0.4375462282265427
Energy: 0.44929864368373595
Energy: 0.4346305416231213
Energy: 0.4800864253546348
Energy: 0.4625559372822179
Energy: 0.45616600395212314
Energy: 0.45104393433198436
Energy: 0.4188340376400352
Energy: 0.4625559372822179
Energy: 0.45616600395212314
Energy: 0.45104393433166445
Energy: 0.4572646185897787
Energy: 0.457295057171535
Energy: 0.4673918646267637
Energy: 0.436023490496013
Energy: 0.4572646185897787
Energy: 0.457295057171535
Energy: 0.46739186462740345
Energy: 0.4506550179208036
Energy: 0.4246429306817894
Energy: 0.4730331103028508
Energy: 0.43462201894492014
Energy: 0.4506550179208036
Energy: 0.42464293068242914
Energy: 0.473033110201504
Energy: 0.4616243144877528
Energy: 0.44418867706689696
Energy: 0.4810614111841225
Energy: 0.43749906227708657
Energy: 0.4616243144877528
Energy: 0.44418867706689696
Energy: 0.481061411185402
Energy: 0.45934287802840285
Energy: 0.43486608004602695
Energy: 0.49307607718762536
Energy: 0.41638601116948565
Energy: 0.45934287802840285
Energy: 0.43486608004602695
Energy: 0.49307607718762536
Energy: 0.464976250909376
Energy: 0.432112904365252
Energy: 0.428722222221145
Energy: 0.4431066436007273
Energy: 0.464976250909376
Energy: 0.43211290436493216
Energy: 0.428722222221145
Energy: 0.4658713002835678
Energy: 0.5058263639295651
Energy: 0.4952094580284813
Energy: 0.44354620104959286
Energy: 0.4658713002835678
Energy: 0.5058263639295651
Energy: 0.4952094580278416
Energy: 0.4633810346925312
Energy: 0.4597601842675914
Energy: 0.4261657812220921
Energy: 0.45254595066053455
Energy: 0.46338103469221137
Energy: 0.45976018426727144
Energy: 0.4554362231460547
Energy: 0.44891821605308846
Energy: 0.4551492779316401
Energy: 0.4262496679099022
Energy: 0.4466746068499633
Energy: 0.44891821605308846
Energy: 0.4551492779316401
Energy: 0.4262496679099022

minimum gb energy = 0.40533330530879447 eV
minimum distance =  2.48596778010502 Angstroms
sigma value = 39


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

Energy: 0.3419184790191632
Energy: 0.41296609761202163
Energy: 0.507603002402336
Energy: 0.41296339423440304
Energy: 0.34191847901954076
Energy: 0.41296609761088904
Energy: 0.5107134543557859
Energy: 0.3379102952033807
Energy: 0.4559413896235737
Energy: 0.3590615689616773
Energy: 0.4584176561942424
Energy: 0.3379102952033807
Energy: 0.4559413896235737
Energy: 0.35906156896129976
Energy: 0.3560481143172334
Energy: 0.3102444847005989
Energy: 0.4151544884636624
Energy: 0.37783348006401524
Energy: 0.356048114318366
Energy: 0.310244484701354
Energy: 0.44686636676652863
Energy: 0.362256522523068
Energy: 0.4756457309393245
Energy: 0.38895373796306787
Energy: 0.4109424196614858
Energy: 0.36225652252231294
Energy: 0.475645730939702
Energy: 0.38895373796269034
Energy: 0.4300089787222602
Energy: 0.3767665502443702
Energy: 0.45813066381947853
Energy: 0.37780400714994317
Energy: 0.43000897872263777
Energy: 0.3767665502443702
Energy: 0.4623412459690177
Energy: 0.3604384951846004
Energy: 0.40528771411743914
Energy: 0.5022615878178832
Energy: 0.4067298316998285
Energy: 0.3604384951846004
Energy: 0.40528771411706166
Energy: 0.5022615878178832
Energy: 0.5255419613309725
Energy: 0.37773969937921
Energy: 0.40333843449759715
Energy: 0.37786682971254326
Energy: 0.5255419613309725
Energy: 0.37773969937921
Energy: 0.3931620866651144
Energy: 0.360559547668505
Energy: 0.33525963709752127
Energy: 0.5099663060558919
Energy: 0.33521934002555653
Energy: 0.3605595476688826
Energy: 0.33525963709752127
Energy: 0.5099663060558919
Energy: 0.525431059799098
Energy: 0.3778907520783406
Energy: 0.4742621024879821
Energy: 0.377889880233
Energy: 0.525431059799098
Energy: 0.3778907520783406
Energy: 0.4708289399760378
Energy: 0.36229516569771764
Energy: 0.40606523253715093
Energy: 0.5022582824908677
Energy: 0.4055594949218593
Energy: 0.36229516569771764
Energy: 0.40606523253752846
Energy: 0.5022582824920003
Energy: 0.4296659067296093
Energy: 0.37782243894600104
Energy: 0.41340799318079896
Energy: 0.37671862753055163
Energy: 0.4296659067311195
Energy: 0.37782243894562345
Energy: 0.4024747294059955
Energy: 0.36222782257704733
Energy: 0.4109657377491688
Energy: 0.3902538280157759
Energy: 0.47520183848770137
Energy: 0.36222782257704733
Energy: 0.4109657377495463
Energy: 0.3902538280157759
Energy: 0.3557538628157982
Energy: 0.3777321682541906
Energy: 0.5116972107662712
Energy: 0.31025004870533246
Energy: 0.35575386281542065
Energy: 0.3777321682541906
Energy: 0.5157304749918386
Energy: 0.3378974001252109
Energy: 0.45833602184328187
Energy: 0.3589709814253393
Energy: 0.45595369164757255
Energy: 0.3378974001255884
Energy: 0.45833602184328187
Energy: 0.35897098142496175
Energy: 0.34191847901991834
Energy: 0.41296609761164405
Energy: 0.5139637500493119
Energy: 0.41296339423440304
Energy: 0.34191847901954076
Energy: 0.41296609761164405
Energy: 0.513963750050067
Energy: 0.3379102952037582
Energy: 0.4559413896231962
Energy: 0.3590615689616773
Energy: 0.45841765619348734
Energy: 0.3379102952033807
Energy: 0.45594138962281866
Energy: 0.3590615689616773
Energy: 0.3560481143157233
Energy: 0.3102444847005989
Energy: 0.44686636676652863
Energy: 0.37783348006401524
Energy: 0.3560481143164783
Energy: 0.31024448470097643
Energy: 0.4468663667657736
Energy: 0.3622565225226904
Energy: 0.475645730939702
Energy: 0.38895373796269034
Energy: 0.41094241966224093
Energy: 0.36225652252231294
Energy: 0.475645730939702
Energy: 0.38895373796269034
Energy: 0.4300089787222602
Energy: 0.3767665502443702
Energy: 0.46234124596939524
Energy: 0.3778040071503207
Energy: 0.43000897872263777
Energy: 0.3767665502439927
Energy: 0.4623412459697728
Energy: 0.3604384951846004
Energy: 0.40528771411706166
Energy: 0.5022615878178832
Energy: 0.4067298316998285
Energy: 0.3604384951846004
Energy: 0.40528771411743914
Energy: 0.5022615878178832
Energy: 0.5255419613309725
Energy: 0.37773969937921
Energy: 0.3890173497704759
Energy: 0.3778668297129208
Energy: 0.5255419613309725
Energy: 0.37773969937921
Energy: 0.3890173497704759
Energy: 0.360559547668505
Energy: 0.33525963709676615
Energy: 0.5099663060558919
Energy: 0.33521934002555653
Energy: 0.360559547668505
Energy: 0.33525963709676615
Energy: 0.5099663060558919
Energy: 0.5254310597998529
Energy: 0.3778907520783406
Energy: 0.42171029794486975
Energy: 0.377889880233
Energy: 0.5254310597998529
Energy: 0.37789075207796313
Energy: 0.42171029794411474
Energy: 0.3622951656980952
Energy: 0.40606523253715093
Energy: 0.5022582824916227
Energy: 0.4055594949211042
Energy: 0.36229516569771764
Energy: 0.40606523253715093
Energy: 0.5022582824901127
Energy: 0.42966590669038035
Energy: 0.37782243894562345
Energy: 0.3674186218826386
Energy: 0.3767186275301741
Energy: 0.429665906692268
Energy: 0.37782243894562345
Energy: 0.3674186218826386
Energy: 0.36222782257666986
Energy: 0.4109657377495463
Energy: 0.39025382801615344
Energy: 0.4752018384873238
Energy: 0.36222782257666986
Energy: 0.4109657377495463
Energy: 0.39025382801615344
Energy: 0.35575386281542065
Energy: 0.3777321682541906
Energy: 0.5205797322344032
Energy: 0.31025004870533246
Energy: 0.3557538628150432
Energy: 0.37773216825381306
Energy: 0.5205797322325156
Energy: 0.3378974001255884
Energy: 0.4583360218421493
Energy: 0.3589709814253393
Energy: 0.45595369164757255
Energy: 0.3378974001252109
Energy: 0.4583360218436594
Energy: 0.3589709814253393
Energy: 0.34191847901954076
Energy: 0.41296609761126657
Energy: 0.4835039700057162
Energy: 0.41296339423440304
Energy: 0.3419184790187857
Energy: 0.41296609761126657
Energy: 0.48350397000609374
Energy: 0.3379102952033807
Energy: 0.4559413896235737
Energy: 0.35906156896129976
Energy: 0.4584176561938649
Energy: 0.3379102952033807
Energy: 0.4559413896231962
Energy: 0.35906156896129976

minimum gb energy = 0.3102444847005989 eV
minimum distance =  2.55854317845657 Angstroms
sigma value = 21


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

Energy: 0.3932766085956071
Energy: 0.4683930322884546
Energy: 0.3943835798353183
Energy: 0.4685779977989429
Energy: 0.3932766085956071
Energy: 0.4683930322884546
Energy: 0.378245699995127
Energy: 0.3822707144663076
Energy: 0.360395283907255
Energy: 0.4619525378398845
Energy: 0.361774410232914
Energy: 0.382270714466766
Energy: 0.360395283907255
Energy: 0.4619525378398845
Energy: 0.3919697853616519
Energy: 0.3933267241001942
Energy: 0.357193820088242
Energy: 0.36094086182366925
Energy: 0.3919697853616519
Energy: 0.3933267241001942
Energy: 0.357193820088242
Energy: 0.390198559194213
Energy: 0.3980498978947185
Energy: 0.38833465786163895
Energy: 0.3832086146014519
Energy: 0.390198559194213
Energy: 0.3980498978947185
Energy: 0.38833465786163895
Energy: 0.3777779493742999
Energy: 0.43637858475040414
Energy: 0.42574738289549985
Energy: 0.3994387316750943
Energy: 0.3777779493742999
Energy: 0.43637858475040414
Energy: 0.4086057288176874
Energy: 0.390116889956535
Energy: 0.38348489653873663
Energy: 0.3961378419563673
Energy: 0.36096255647143877
Energy: 0.3901168899560767
Energy: 0.38348489653873663
Energy: 0.3961378419586588
Energy: 0.3988329049542808
Energy: 0.4542781484940056
Energy: 0.4092440401562888
Energy: 0.4014701843996851
Energy: 0.3988329049542808
Energy: 0.4542781484940056
Energy: 0.4276690784249246
Energy: 0.392025178805249
Energy: 0.379892421905501
Energy: 0.42227872640715747
Energy: 0.36129302652522993
Energy: 0.392025178805249
Energy: 0.379892421905501
Energy: 0.42227872640624087
Energy: 0.401755439473236
Energy: 0.3800039848788731
Energy: 0.4294272632437896
Energy: 0.41158517129016403
Energy: 0.401755439473236
Energy: 0.3800039848788731
Energy: 0.4294272632437896
Energy: 0.38742367767292746
Energy: 0.38388469920762613
Energy: 0.3899812493693242
Energy: 0.3982897951420025
Energy: 0.38742367767292746
Energy: 0.38388469920762613
Energy: 0.3899812493693242
Energy: 0.41270193328037336
Energy: 0.4267459824370516
Energy: 0.4129640665776001
Energy: 0.40246817756497644
Energy: 0.41270193328037336
Energy: 0.4267459824370516
Energy: 0.3874279138603816
Energy: 0.3436777720701666
Energy: 0.400657689985711
Energy: 0.426742195838708
Energy: 0.38385585296651886
Energy: 0.3436777720701666
Energy: 0.400657689985711
Energy: 0.4267421958382497
Energy: 0.3984538341132728
Energy: 0.3773415632314839
Energy: 0.3825341817572721
Energy: 0.39554432706872256
Energy: 0.39845383408164975
Energy: 0.3773415632314839
Energy: 0.3825341817572721
Energy: 0.3437669882710199
Energy: 0.4005353908468893
Energy: 0.3833570060173474
Energy: 0.40860927366730376
Energy: 0.3437669882710199
Energy: 0.4005353908468893
Energy: 0.38335700601780576
Energy: 0.3586873621593043
Energy: 0.358112448559497
Energy: 0.3831439798143631
Energy: 0.38937241880869533
Energy: 0.3586873621597626
Energy: 0.358112448559497
Energy: 0.39513974095776455
Energy: 0.3436339470458533
Energy: 0.4414224007053214
Energy: 0.3792524014124889
Energy: 0.40614958109994176
Energy: 0.343633947045395
Energy: 0.44142240070486316
Energy: 0.3792524014124889
Energy: 0.39029091403101546
Energy: 0.3584928625453194
Energy: 0.4707546039446402
Energy: 0.3897907278893346
Energy: 0.3902909140305572
Energy: 0.3584928625453194
Energy: 0.4707546039446402
Energy: 0.3435919133494659
Energy: 0.40039146227845396
Energy: 0.3740295094917072
Energy: 0.41890393734521947
Energy: 0.3435919133494659
Energy: 0.40039146227891226
Energy: 0.3740295094917072
Energy: 0.4106851217046717
Energy: 0.358139546009797
Energy: 0.4487870451599607
Energy: 0.37642400446548513
Energy: 0.4106851217042134
Energy: 0.358139546009797
Energy: 0.4487870451599607
Energy: 0.3436310031231364
Energy: 0.4226496229870247
Energy: 0.3744249745515096
Energy: 0.42325780436660304
Energy: 0.3436310031231364
Energy: 0.4226496229870247
Energy: 0.3744249745519678
Energy: 0.41088578491084377
Energy: 0.37640051952187376
Energy: 0.4487575147172549
Energy: 0.35818808742877845
Energy: 0.41088578491038535
Energy: 0.37640051952187376
Energy: 0.4487575147177132
Energy: 0.3436073171797735
Energy: 0.4189010793469389
Energy: 0.3739796446245232
Energy: 0.4004223126630724
Energy: 0.3436073171793152
Energy: 0.4189010793469389
Energy: 0.3739796446249815
Energy: 0.39032368779521215
Energy: 0.3895435948284662
Energy: 0.5144528711681593
Energy: 0.35852006865246483
Energy: 0.3903236877947539
Energy: 0.38954359482892453
Energy: 0.5144528711681593
Energy: 0.3434680502994291
Energy: 0.406318366355194
Energy: 0.3791453670497211
Energy: 0.44147494402672866
Energy: 0.3434680502994291
Energy: 0.406318366355194
Energy: 0.3791453670497211
Energy: 0.3586932976015746
Energy: 0.38980326423038836
Energy: 0.4118661553645335
Energy: 0.3581815909127632
Energy: 0.3586932976015746
Energy: 0.38980326423038836
Energy: 0.4118661553645335

minimum gb energy = 0.3434680502994291 eV
minimum distance =  2.42792206453768 Angstroms
sigma value = 113


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

Energy: 0.4533584742565873
Energy: 0.4517039699218597
Energy: 0.4268876178878239
Energy: 0.4509236597316966
Energy: 0.45335847425709896
Energy: 0.4517039699215806
Energy: 0.42688761788810303
Energy: 0.4340827511096842
Energy: 0.4355570418301525
Energy: 0.48550565600684303
Energy: 0.4394289980298652
Energy: 0.4340827511099632
Energy: 0.4355570418298735
Energy: 0.48550565600707557
Energy: 0.45370104366862646
Energy: 0.4395378912642773
Energy: 0.4662606847674723
Energy: 0.43822769779994813
Energy: 0.4537010436678824
Energy: 0.4395378912647888
Energy: 0.4662606847674723
Energy: 0.3891236672415778
Energy: 0.44993637537726366
Energy: 0.42577480581304655
Energy: 0.4277073965038288
Energy: 0.3891236672418569
Energy: 0.4499363753769846
Energy: 0.42577480581281396
Energy: 0.45062966117787984
Energy: 0.41111145193729426
Energy: 0.4328759287566898
Energy: 0.4081347734369127
Energy: 0.45062966117787984
Energy: 0.41111145193729426
Energy: 0.43287592875645725
Energy: 0.40405736162571426
Energy: 0.4431156264192875
Energy: 0.4192858869535001
Energy: 0.4271168077388954
Energy: 0.40405736162571426
Energy: 0.44311562641877594
Energy: 0.4192858869540117
Energy: 0.459952482275687
Energy: 0.4333008972524937
Energy: 0.44201655342211665
Energy: 0.39580180687253047
Energy: 0.4599524822759195
Energy: 0.43330089725277277
Energy: 0.4405529209875984
Energy: 0.40456521229954756
Energy: 0.431311054217472
Energy: 0.43888351482384685
Energy: 0.434900222898081
Energy: 0.40456521229926845
Energy: 0.431311054217472
Energy: 0.4388835148243584
Energy: 0.4550292366721625
Energy: 0.4161341755343604
Energy: 0.42449191361344035
Energy: 0.4029551441620698
Energy: 0.4550292366721625
Energy: 0.4161341755343604
Energy: 0.4244919136141844
Energy: 0.39082668600378445
Energy: 0.42697929896141223
Energy: 0.4280518117006468
Energy: 0.44626583343281223
Energy: 0.39082668600350534
Energy: 0.42697929896164477
Energy: 0.4280518117011584
Energy: 0.45464832834252117
Energy: 0.4269121514347875
Energy: 0.4265635045587361
Energy: 0.41443674873882125
Energy: 0.45464832834252117
Energy: 0.4269121514342759
Energy: 0.4265635045584571
Energy: 0.4224384052459099
Energy: 0.42788542085851294
Energy: 0.4445998131591012
Energy: 0.4286326674846336
Energy: 0.4224384052464214
Energy: 0.42788542085823383
Energy: 0.4445998131596128
Energy: 0.45754530319720776
Energy: 0.43714771065797786
Energy: 0.43899302613780816
Energy: 0.4245752877918225
Energy: 0.4575453031974403
Energy: 0.4371477106574662
Energy: 0.43560385235211746
Energy: 0.4387865335869735
Energy: 0.4511847809112075
Energy: 0.4473625581092088
Energy: 0.43864303700795904
Energy: 0.4387865335869735
Energy: 0.4511847809112075
Energy: 0.4473625581094878
Energy: 0.45275476846823853
Energy: 0.43919447486031943
Energy: 0.4673739960010133
Energy: 0.44763536634039225
Energy: 0.45275476846851753
Energy: 0.4391944748605519
Energy: 0.4673226519243107
Energy: 0.4519604999004209
Energy: 0.4384067956279835
Energy: 0.4247427130007588
Energy: 0.4399555558992723
Energy: 0.4519604999009325
Energy: 0.4384067956279835
Energy: 0.4247427130012703
Energy: 0.4720900074576914
Energy: 0.4347587069371038
Energy: 0.458138670947726
Energy: 0.4236923224530449
Energy: 0.4720900074574124
Energy: 0.43475870693659224
Energy: 0.4581386709479585
Energy: 0.4136161720534623
Energy: 0.42109992788955347
Energy: 0.42836566941598475
Energy: 0.42978417955006115
Energy: 0.41361617205397383
Energy: 0.42109992788880934
Energy: 0.42836566941598475
Energy: 0.4812047851731337
Energy: 0.4237720406449729
Energy: 0.45747821495067387
Energy: 0.4127004849814214
Energy: 0.4812047851731337
Energy: 0.4237720406452054
Energy: 0.45747821495067387
Energy: 0.40789368851329344
Energy: 0.42625934965150875
Energy: 0.4283440384672884
Energy: 0.4078707799786492
Energy: 0.4078936885130145
Energy: 0.4262593496509971
Energy: 0.4283440384664978
Energy: 0.4482006912484991
Energy: 0.4145523975009331
Energy: 0.448953358249777
Energy: 0.4028068564288708
Energy: 0.4482006912487782
Energy: 0.4145523975009331
Energy: 0.43402499221160384
Energy: 0.43746361740950207
Energy: 0.4196978673780107
Energy: 0.4413333943231695
Energy: 0.41611806330290874
Energy: 0.43746361740950207
Energy: 0.4196978673780107
Energy: 0.44133339432289037
Energy: 0.42175772974521614
Energy: 0.4244999734305647
Energy: 0.43601086211601714
Energy: 0.4456400083747923
Energy: 0.4217577297449371
Energy: 0.42449997343084384
Energy: 0.43601086211601714
Energy: 0.44668287791508793
Energy: 0.412361149666155
Energy: 0.4380429098329496
Energy: 0.42028523284550023
Energy: 0.44668287791508793
Energy: 0.41236114966587595
Energy: 0.4380429098326706
Energy: 0.41136432708576137
Energy: 0.45338101159518496
Energy: 0.4464897226002948
Energy: 0.4539805065346866
Energy: 0.41136432708524984
Energy: 0.4533810115949524
Energy: 0.4464897226002948
Energy: 0.4007245483209695
Energy: 0.41052039583138067
Energy: 0.4403213531447578
Energy: 0.4283197535477849
Energy: 0.4007245483209695
Energy: 0.4105203958311481
Energy: 0.4403213531449903
Energy: 0.41869603820590157
Energy: 0.44267742438831553
Energy: 0.42890026415956994
Energy: 0.45786847411860343
Energy: 0.418696038205111
Energy: 0.44267742438780394
Energy: 0.4318673495229552
Energy: 0.4013367587807423
Energy: 0.4008083283652264
Energy: 0.42221557970665025
Energy: 0.45537784422857663
Energy: 0.4013367587792076
Energy: 0.400808328365738
Energy: 0.4222155797073943
Energy: 0.42958049884352795
Energy: 0.4357343546157267
Energy: 0.4306428218340079
Energy: 0.44527124255205924
Energy: 0.42958049884380695
Energy: 0.4357343546157267
Energy: 0.43064282183349634
Energy: 0.4000097482454347
Energy: 0.4042849845894529
Energy: 0.4282667685497784
Energy: 0.4536674598555149
Energy: 0.40000974824515567
Energy: 0.4042849845891739
Energy: 0.42826676855005746
Energy: 0.4402579947620186
Energy: 0.44217776250730706
Energy: 0.4566954878219857
Energy: 0.44624378059071385
Energy: 0.4402579947620186
Energy: 0.44217776250781865
Energy: 0.4566954878217532
Energy: 0.4064631341059918
Energy: 0.4087204503235309
Energy: 0.41389111639969806
Energy: 0.4196373245859192
Energy: 0.40646313410571283
Energy: 0.4087204503235309
Energy: 0.41389111639993054
Energy: 0.3944707587560383
Energy: 0.4355551093732449
Energy: 0.43074681633670736
Energy: 0.4383218666156654
Energy: 0.39447075875552684
Energy: 0.4355551093732449
Energy: 0.43074681633642825
Energy: 0.38392552729712415
Energy: 0.4378787757308023
Energy: 0.4308340767256949
Energy: 0.4194945779989787
Energy: 0.3839255272968451
Energy: 0.4378787757308023
Energy: 0.43083407672518337
Energy: 0.4023140623172696
Energy: 0.4173264094364205
Energy: 0.4031304479038906
Energy: 0.43586634762771775
Energy: 0.4023140623175486
Energy: 0.41732640943693217
Energy: 0.4031304479038906
Energy: 0.4040760330753221
Energy: 0.43767676348401024
Energy: 0.43237413622126225
Energy: 0.40814201596720173
Energy: 0.4040760330750431
Energy: 0.4376767634842427
Energy: 0.43237413622126225
Energy: 0.401346409154888
Energy: 0.41679298483128463
Energy: 0.4219687376042031
Energy: 0.44702971672313785
Energy: 0.401346409155167
Energy: 0.41679298483105204
Energy: 0.4219687376042031
Energy: 0.4125950528417513
Energy: 0.436619350072798
Energy: 0.4391558470257934
Energy: 0.4365762926150753
Energy: 0.41259505284203035
Energy: 0.43661935007251895
Energy: 0.43915584702602595
Energy: 0.4107418384991428
Energy: 0.41881802207388563
Energy: 0.4296750606010929
Energy: 0.45120795573229955
Energy: 0.4107418384991428
Energy: 0.4188180220741181
Energy: 0.4296750606003023
Energy: 0.41546890814568316
Energy: 0.44395987067399356
Energy: 0.4355580554931103
Energy: 0.41422368150979316
Energy: 0.41546890814619464
Energy: 0.44395987067399356
Energy: 0.4355580554928777
Energy: 0.4288097648531857
Energy: 0.41995919075627614
Energy: 0.4532563115839843
Energy: 0.4326218266867973
Energy: 0.4288097648531857
Energy: 0.41995919075650867
Energy: 0.4532563115839843
Energy: 0.4135432913186354
Energy: 0.4412660259797652
Energy: 0.4488949822205348
Energy: 0.4338780869638599
Energy: 0.4135432913183563
Energy: 0.4412660259802767
Energy: 0.44889498222025576
Energy: 0.43589682287155773
Energy: 0.42100814516040486
Energy: 0.44119068567530295
Energy: 0.4449022965176435
Energy: 0.4358968228713252
Energy: 0.42100814516063745
Energy: 0.4411906856747914
Energy: 0.4399003363271182
Energy: 0.4306873245767686
Energy: 0.44854858365608646
Energy: 0.40813723171374067
Energy: 0.4399003363273972
Energy: 0.4306873245770476
Energy: 0.44854858365659805
Energy: 0.40700073709102125
Energy: 0.4366391844254777
Energy: 0.4286874173831365
Energy: 0.4583032941672552
Energy: 0.4070007370907887
Energy: 0.4366391844254777
Energy: 0.42868741738364796

minimum gb energy = 0.3839255272968451 eV
minimum distance =  2.49049896960213 Angstroms
sigma value = 365


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

Energy: 0.5537999520924839
Energy: 0.44806122570704304
Energy: 0.5044023060254538
Energy: 0.4480612257076197
Energy: 0.5537999520924839
Energy: 0.4480612257076197
Energy: 0.4618526061285445
Energy: 0.5537999520930605
Energy: 0.4480612257076197
Energy: 0.46963750966869916
Energy: 0.4480612257076197
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.5048737231051459
Energy: 0.5537999520930605
Energy: 0.44806122570646634
Energy: 0.4490200119530484
Energy: 0.4480612257076197
Energy: 0.5537999520936372
Energy: 0.44806122570646634
Energy: 0.5048737230982517
Energy: 0.5537999520924839
Energy: 0.44806122570704304
Energy: 0.4900084822499063
Energy: 0.44806122570704304
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.504873723103442
Energy: 0.5537999520930605
Energy: 0.44806122570646634
Energy: 0.4900058469622587
Energy: 0.44806122570704304
Energy: 0.5537999520930605
Energy: 0.44806122570646634
Energy: 0.5048737231011353
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.4241548222642225
Energy: 0.4480612257076197
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.49000584696744887
Energy: 0.5537999520930605
Energy: 0.4480612257076197
Energy: 0.4900082217990771
Energy: 0.44806122570704304
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.45387696599277505
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.4900058469645654
Energy: 0.44806122570646634
Energy: 0.5537999520930605
Energy: 0.44806122570646634
Energy: 0.4900058469570685
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.5048737231011353
Energy: 0.44806122570704304
Energy: 0.5537999520936372
Energy: 0.44806122570646634
Energy: 0.5048737230999818
Energy: 0.5537999520924839
Energy: 0.44806122570704304
Energy: 0.46185167715334
Energy: 0.44806122570704304
Energy: 0.5537999520924839
Energy: 0.4480612257076197
Energy: 0.4538754971484038
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.4900058469374873
Energy: 0.4480612257076197
Energy: 0.5537999520930605
Energy: 0.44806122570646634
Energy: 0.4737031509599982
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.5048737231045692
Energy: 0.44806122570704304
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.5048737231051459
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.5048737231074527
Energy: 0.4480612257076197
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.5048737231062993
Energy: 0.5537999520936372
Energy: 0.44806122570704304
Energy: 0.5048737231040187
Energy: 0.4480612257076197
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.5048737231062993
Energy: 0.5537999520930605
Energy: 0.4480612257076197
Energy: 0.5048737230976751
Energy: 0.4480612257076197
Energy: 0.5537999520936372
Energy: 0.44806122570704304
Energy: 0.5048737230999818
Energy: 0.5537999520924839
Energy: 0.44806122570704304
Energy: 0.5048737231057226
Energy: 0.44806122570704304
Energy: 0.5537999520924839
Energy: 0.44806122570704304
Energy: 0.5048737231057226
Energy: 0.5537999520930605
Energy: 0.44806122570646634
Energy: 0.5048737231051459
Energy: 0.44806122570704304
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.5048737231062993
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.5048737231062993
Energy: 0.44806122570704304
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.504873723106876
Energy: 0.5537999520924839
Energy: 0.44806122570646634
Energy: 0.5048737231062993
Energy: 0.4480612257076197
Energy: 0.5537999520930605
Energy: 0.44806122570646634
Energy: 0.504873723106876
Energy: 0.5537999520930605
Energy: 0.44806122570704304
Energy: 0.5048737231074527
Energy: 0.4480612257076197
Energy: 0.5537999520936372
Energy: 0.44806122570704304
Energy: 0.504873723106876

minimum gb energy = 0.4241548222642225 eV
minimum distance =  2.61192201155016 Angstroms
sigma value = 23