Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014731871
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018145677093082735
Energy: 0.8943348304881793
Energy: 0.018145677093082735
Energy: 0.8943348304885097
Energy: 0.018145677093082735
Energy: 0.8943348304885097
Energy: 0.8943348304881793
Energy: 1.2189957061987107
Energy: 0.8943348304881793
Energy: 1.2189957061997023
Energy: 0.8943348304881793
Energy: 1.2189957061997023
Energy: 0.018145677093082735
Energy: 0.8943348304881793
Energy: 0.018145677093082735
Energy: 0.8943348304881793
Energy: 0.018145677092752235
Energy: 0.8943348304885097
Energy: 0.8943348304885097
Energy: 1.218995706199996
Energy: 0.8943348304885097
Energy: 1.2189957061980863
Energy: 0.8943348304881793
Energy: 1.2189957061997023
Energy: 0.018145677093082735
Energy: 0.8943348304885097
Energy: 0.018145677092752235
Energy: 0.8943348304885097
Energy: 0.018145677092752235
Energy: 0.8943348304885097
Energy: 0.8943348304881793
Energy: 1.218995706199996
Energy: 0.8943348304885097
Energy: 1.2189957061993717
Energy: 0.8943348304885097
Energy: 1.218995706199041

minimum gb energy = 0.018145677092752235 eV
minimum distance =  2.34488239020962 Angstroms
sigma value = 1


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

Energy: 1.4077369135986368
Energy: 1.5073237527127925
Energy: 1.4077369135994324
Energy: 1.5073237527135883
Energy: 1.4077369135994324
Energy: 1.5073237527127925
Energy: 1.5048800756001341
Energy: 1.2979590602464117
Energy: 1.5048800756001341
Energy: 1.2979590602464117
Energy: 1.5048800756009297
Energy: 1.2979590602456161
Energy: 1.3985080584918748
Energy: 1.4052104935556915
Energy: 1.3985080584918748
Energy: 1.405210493554896
Energy: 1.3985080584910792
Energy: 1.405210493554896
Energy: 1.551863920745062
Energy: 1.3278630821312856
Energy: 1.5518639207458576
Energy: 1.3278630821304902
Energy: 1.551863920745062
Energy: 1.3278630821312856
Energy: 1.3950060296549511
Energy: 1.4624249527480107
Energy: 1.3950060296541555
Energy: 1.462424952747215
Energy: 1.3950060296549511
Energy: 1.462424952747215
Energy: 1.4140513876686984
Energy: 1.2950245802840243
Energy: 1.4140513876679028
Energy: 1.2950245802840243
Energy: 1.4140513876686984
Energy: 1.2950245802840243
Energy: 1.3554922944372385
Energy: 1.4623516070974034
Energy: 1.355492294438034
Energy: 1.4623516070974034
Energy: 1.3554922944364427
Energy: 1.4623516070966078
Energy: 1.3676264991896774
Energy: 1.5409445625017841
Energy: 1.3676264991904727
Energy: 1.5409445625017841
Energy: 1.3676264991912686
Energy: 1.5409445625017841
Energy: 1.453058817661656
Energy: 1.3787924744324451
Energy: 1.4530588176608603
Energy: 1.3787924744324451
Energy: 1.453058817661656
Energy: 1.3787924744324451
Energy: 1.253058573312632
Energy: 1.5206014849984397
Energy: 1.2530585733118365
Energy: 1.5206014849984397
Energy: 1.2530585733118365
Energy: 1.5206014849984397
Energy: 1.4355281381184155
Energy: 1.29316901239194
Energy: 1.4355281381184155
Energy: 1.29316901239194
Energy: 1.4355281381184155
Energy: 1.29316901239194
Energy: 1.2466724929759225
Energy: 1.6547805314579795
Energy: 1.2466724929751272
Energy: 1.6547805314587751
Energy: 1.2466724929759225
Energy: 1.6547805314571837
Energy: 1.4999556463927843
Energy: 1.2367944740532595
Energy: 1.4999556463919888
Energy: 1.2367944740532595
Energy: 1.499955646391193
Energy: 1.2367944740532595
Energy: 1.3169326883433612
Energy: 1.4051457342243923
Energy: 1.316932688344157
Energy: 1.4051457342243923
Energy: 1.3169326883425658
Energy: 1.4051457342235967
Energy: 1.5731259299946574
Energy: 1.2683511316970955
Energy: 1.5731259299946574
Energy: 1.2683511316970955
Energy: 1.5731259299946574
Energy: 1.2683511316970955
Energy: 1.5521116485729327
Energy: 1.4311755290072619
Energy: 1.5521116485729327
Energy: 1.4311755290072619
Energy: 1.5521116485729327
Energy: 1.4311755290080577
Energy: 1.4433602180755347
Energy: 1.385108140245739
Energy: 1.4433602180747391
Energy: 1.385108140245739
Energy: 1.4433602180747391
Energy: 1.385108140245739
Energy: 1.4399792496997053
Energy: 1.368310624607072
Energy: 1.4399792497005008
Energy: 1.368310624607072
Energy: 1.4399792496989097
Energy: 1.368310624607072
Energy: 1.3690229219767935
Energy: 1.401725973187501
Energy: 1.3690229219775893
Energy: 1.4017259731867053
Energy: 1.3690229219775893
Energy: 1.401725973187501
Energy: 1.4272682817856182
Energy: 1.2941790343413597
Energy: 1.4272682817864137
Energy: 1.2941790343413597
Energy: 1.4272682817856182
Energy: 1.2941790343421553
Energy: 1.2960288783448477
Energy: 1.6872239567321639
Energy: 1.2960288783448477
Energy: 1.6872239567321639
Energy: 1.2960288783448477
Energy: 1.6872239567321639
Energy: 1.458276892046217
Energy: 1.3793623291306312
Energy: 1.458276892046217
Energy: 1.3793623291306312
Energy: 1.4582768920470128
Energy: 1.3793623291314268
Energy: 1.2518879346734137
Energy: 1.500934502087471
Energy: 1.2518879346726182
Energy: 1.500934502087471
Energy: 1.2518879346726182
Energy: 1.500934502087471

minimum gb energy = 1.2367944740532595 eV
minimum distance =  2.25668964226454 Angstroms
sigma value = 33


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

Energy: 1.4423927369382663
Energy: 1.4865751472077346
Energy: 1.3647413134220199
Energy: 1.4865751472077346
Energy: 1.4423927369382663
Energy: 1.4865751472077346
Energy: 1.4710493902421786
Energy: 1.3192455281599509
Energy: 1.471049390241726
Energy: 1.3192455281594986
Energy: 1.4710493902421786
Energy: 1.3192455281594986
Energy: 1.2941697465175022
Energy: 1.3315246991126095
Energy: 1.2941697465170496
Energy: 1.3315246991126095
Energy: 1.2941697465175022
Energy: 1.3315246991130618
Energy: 1.4985929424059856
Energy: 1.4625919524501734
Energy: 1.4985929424068907
Energy: 1.462591952449721
Energy: 1.4985929424059856
Energy: 1.462591952449721
Energy: 1.4136019397456607
Energy: 1.4108266359468455
Energy: 1.4136019397452082
Energy: 1.4108266359468455
Energy: 1.4136019397456607
Energy: 1.4108266359477508
Energy: 1.3814901692570203
Energy: 1.301944421886537
Energy: 1.3814901692552104
Energy: 1.301944421886537
Energy: 1.381490169256568
Energy: 1.301944421886537
Energy: 1.478039609359651
Energy: 1.4386724680077518
Energy: 1.4780396093573887
Energy: 1.4386724680077518
Energy: 1.4780396093587462
Energy: 1.4386724680077518
Energy: 1.222399843716133
Energy: 1.5076376724095601
Energy: 1.2223998437165855
Energy: 1.5076376724091076
Energy: 1.2223998437156804
Energy: 1.5076376724091076
Energy: 1.384871357231395
Energy: 1.295158433735352
Energy: 1.3848713572309428
Energy: 1.2951584337358049
Energy: 1.3848713572309428
Energy: 1.295158433735352
Energy: 1.2795066041565009
Energy: 1.5361053219919054
Energy: 1.280687613112009
Energy: 1.5361053219919054
Energy: 1.2795066041560486
Energy: 1.5361053219919054
Energy: 1.579602367536396
Energy: 1.3340005670326545
Energy: 1.5796023675391109
Energy: 1.3340005670326545
Energy: 1.579602367536396
Energy: 1.3340005670317494
Energy: 1.2945433340485968
Energy: 1.4854406240384859
Energy: 1.294536960174857
Energy: 1.4854406240384859
Energy: 1.2945433340490495
Energy: 1.4854406240384859
Energy: 1.4344528920349924
Energy: 1.3050175163609934
Energy: 1.5093742983315663
Energy: 1.3050175163609934
Energy: 1.4344528920349924
Energy: 1.305017516360541
Energy: 1.364835690499715
Energy: 1.4868595248364154
Energy: 1.4425005422325337
Energy: 1.4868595248377732
Energy: 1.364835690499715
Energy: 1.4868595248382253
Energy: 1.4414299565042685
Energy: 1.331398910480327
Energy: 1.441429956507436
Energy: 1.3313989104807797
Energy: 1.441429956504721
Energy: 1.331398910480327
Energy: 1.2937720867994877
Energy: 1.3298641816081478
Energy: 1.293772086798583
Energy: 1.3298641816081478
Energy: 1.2937720867990354
Energy: 1.3298641816086
Energy: 1.485592537359045
Energy: 1.3924775859563492
Energy: 1.4855925373604026
Energy: 1.3924775859563492
Energy: 1.485592537359045
Energy: 1.3924775859558967
Energy: 1.4090711764072208
Energy: 1.2944292756518068
Energy: 1.4090711764045059
Energy: 1.2944292756518068
Energy: 1.4090711764063157
Energy: 1.2944292756518068
Energy: 1.3982480042236198
Energy: 1.3392414624321591
Energy: 1.3982480042245247
Energy: 1.3392414624317066
Energy: 1.3982480042236198
Energy: 1.3392414624326119
Energy: 1.4879537413329147
Energy: 1.369562058278707
Energy: 1.4879537413301995
Energy: 1.369562058278707
Energy: 1.4879537413329147
Energy: 1.3695620582791592
Energy: 1.2258912694442665
Energy: 1.5054390475812962
Energy: 1.2258912694433615
Energy: 1.5054390475812962
Energy: 1.2258912694433615
Energy: 1.505439047582201
Energy: 1.330489275291415
Energy: 1.2962859998350083
Energy: 1.330489275289646
Energy: 1.2962859998354608
Energy: 1.330489275289646
Energy: 1.2962859998350083
Energy: 1.2942246397542179
Energy: 1.5360149314508469
Energy: 1.2940016438073791
Energy: 1.5360149314508469
Energy: 1.2942246397542179
Energy: 1.5360149314508469
Energy: 1.5422389325393255
Energy: 1.4102783162196126
Energy: 1.5422389325420407
Energy: 1.4102783162196126
Energy: 1.542238932539778
Energy: 1.410278316220065
Energy: 1.294314016012705
Energy: 1.4844040288049205
Energy: 1.2942499029656385
Energy: 1.4844040288053733
Energy: 1.2943140160122524
Energy: 1.4844040288053733
Energy: 1.506003608152857
Energy: 1.4744981430699948
Energy: 1.4344436984469073
Energy: 1.4744981430713522
Energy: 1.506003608152857
Energy: 1.4744981430713522
Energy: 1.5057431527286453
Energy: 1.4276457215414684
Energy: 1.434399042044598
Energy: 1.4276457215405631
Energy: 1.5057431527286453
Energy: 1.4276457215405631
Energy: 1.2944388300324015
Energy: 1.319128798714578
Energy: 1.2944388300301388
Energy: 1.319128798714578
Energy: 1.294438830031949
Energy: 1.3191287987168407
Energy: 1.5352851778735213
Energy: 1.3304228510837033
Energy: 1.535285177872164
Energy: 1.3304228510837033
Energy: 1.535285177873974
Energy: 1.330422851083251
Energy: 1.3330463620617923
Energy: 1.5789466141418251
Energy: 1.333046362060435
Energy: 1.5789466141418251
Energy: 1.3330463620622448
Energy: 1.5789466141413726
Energy: 1.41008750695664
Energy: 1.2952691668069904
Energy: 1.4100875069579977
Energy: 1.2952691668069904
Energy: 1.4100875069570926
Energy: 1.2952691668069904
Energy: 1.3000010179769086
Energy: 1.4123464026064052
Energy: 1.300001017978719
Energy: 1.412346402605953
Energy: 1.3000010179769086
Energy: 1.4123464026055004
Energy: 1.4883069451360507
Energy: 1.369369604767859
Energy: 1.4883069451360507
Energy: 1.3693696047683117
Energy: 1.4883069451360507
Energy: 1.3693696047674067
Energy: 1.3319452898212705
Energy: 1.4319300379138744
Energy: 1.3319452898194604
Energy: 1.4319300379138744
Energy: 1.331945289820818
Energy: 1.4319300379143272
Energy: 1.3298536885796173
Energy: 1.2949143419586713
Energy: 1.3298536885796173
Energy: 1.2949143419582185
Energy: 1.3298536885791647
Energy: 1.2949143419582185
Energy: 1.3912635298696665
Energy: 1.4851555246103771
Energy: 1.3912635298705716
Energy: 1.4851555246117345
Energy: 1.3912635298696665
Energy: 1.4851555246117345
Energy: 1.2934177022686448
Energy: 1.410234482277272
Energy: 1.293473175643135
Energy: 1.410234482277272
Energy: 1.2934177022677398
Energy: 1.410234482277272
Energy: 1.338421178815542
Energy: 1.401529753300415
Energy: 1.3780591973286782
Energy: 1.4015297533008675
Energy: 1.338421178815542
Energy: 1.4015297533013202
Energy: 1.36491451915426
Energy: 1.4887024414680208
Energy: 1.442484139244776
Energy: 1.4887024414680208
Energy: 1.3649145191547123
Energy: 1.4887024414680208
Energy: 1.5070194740400078
Energy: 1.2312545548406157
Energy: 1.5070194740381977
Energy: 1.2312545548410685
Energy: 1.5070194740400078
Energy: 1.2312545548415208
Energy: 1.2943836450444193
Energy: 1.3860843647905674
Energy: 1.294383645043967
Energy: 1.3860843647901149
Energy: 1.2943836450444193
Energy: 1.38608436478921

minimum gb energy = 1.2223998437156804 eV
minimum distance =  2.32209879940896 Angstroms
sigma value = 51


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

Energy: 1.4112515975682967
Energy: 1.4253561296075026
Energy: 1.4112515975682967
Energy: 1.4253561296075026
Energy: 1.4112515975672482
Energy: 1.4253561296075026
Energy: 1.4731498699012444
Energy: 1.3659400610491466
Energy: 1.4731498699012444
Energy: 1.3659400610480983
Energy: 1.4731498699012444
Energy: 1.3659400610480983
Energy: 1.3521827878064465
Energy: 1.3979371562224272
Energy: 1.3521827878064465
Energy: 1.3979371562224272
Energy: 1.3521827878064465
Energy: 1.3979371562224272
Energy: 1.389122008690774
Energy: 1.3091531593938666
Energy: 1.389122008690774
Energy: 1.3091531593938666
Energy: 1.389122008690774
Energy: 1.3091531593938666
Energy: 1.4601372203518075
Energy: 1.4124731063893088
Energy: 1.4601372203528558
Energy: 1.4124731063882603
Energy: 1.4601372203518075
Energy: 1.4124731063882603
Energy: 1.5199135636141041
Energy: 1.4141891542700065
Energy: 1.5199135636141041
Energy: 1.4141891542700065
Energy: 1.5199135636141041
Energy: 1.4141891542700065
Energy: 1.3778948433305165
Energy: 1.360607763644008
Energy: 1.3778948433305165
Energy: 1.360607763644008
Energy: 1.3778948433305165
Energy: 1.360607763644008
Energy: 1.3173669965419996
Energy: 1.4127520570547107
Energy: 1.3173669965419996
Energy: 1.4127520570547107
Energy: 1.3173669965419996
Energy: 1.4127520570547107
Energy: 1.5919964677383962
Energy: 1.3381048254798018
Energy: 1.5919964677383962
Energy: 1.3381048254798018
Energy: 1.5919964677383962
Energy: 1.3381048254798018
Energy: 1.3438069340243972
Energy: 1.6029639793860977
Energy: 1.3438069340243972
Energy: 1.6029639793860977
Energy: 1.3438069340243972
Energy: 1.6029639793860977
Energy: 1.5710488838223824
Energy: 1.3044435642724255
Energy: 1.5710488838223824
Energy: 1.3044435642724255
Energy: 1.5710488838223824
Energy: 1.3044435642724255
Energy: 1.432800479400826
Energy: 1.426427426017231
Energy: 1.432800479400826
Energy: 1.4264274260161822
Energy: 1.432800479400826
Energy: 1.4264274260161822
Energy: 1.593083336461952
Energy: 1.4050051145603042
Energy: 1.593083336461952
Energy: 1.4050051145603042
Energy: 1.593083336461952
Energy: 1.4050051145603042
Energy: 1.3960028905968114
Energy: 1.336172492283008
Energy: 1.3960028905978599
Energy: 1.336172492283008
Energy: 1.3960028905968114
Energy: 1.336172492283008
Energy: 1.4255436833101993
Energy: 1.394251437680132
Energy: 1.4255436833101993
Energy: 1.394251437680132
Energy: 1.4255436833101993
Energy: 1.394251437680132
Energy: 1.4593810874172228
Energy: 1.4154689595707872
Energy: 1.4593810874172228
Energy: 1.4154689595707872
Energy: 1.4593810874172228
Energy: 1.4154689595707872
Energy: 1.459981023878085
Energy: 1.4405999718593276
Energy: 1.459981023878085
Energy: 1.4405999718593276
Energy: 1.459981023878085
Energy: 1.4405999718603761
Energy: 1.387539009215103
Energy: 1.3603099391304683
Energy: 1.387539009215103
Energy: 1.3603099391304683
Energy: 1.387539009215103
Energy: 1.3603099391304683

minimum gb energy = 1.3044435642724255 eV
minimum distance =  2.23778772309251 Angstroms
sigma value = 19


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

Energy: 1.2746549369520734
Energy: 1.2950131302692467
Energy: 1.2372798860280094
Energy: 1.2950131302692467
Energy: 1.2746549369514515
Energy: 1.2950131302673806
Energy: 1.3394121131796182
Energy: 1.3782217073414604
Energy: 1.339412113178996
Energy: 1.3782217073408387
Energy: 1.3394121131796182
Energy: 1.3782217073414604
Energy: 1.2092500453024013
Energy: 1.256405182573861
Energy: 1.2092500453024013
Energy: 1.2564051825732392
Energy: 1.2092500453024013
Energy: 1.2564051825744829
Energy: 1.3393040672786896
Energy: 1.20921310129265
Energy: 1.3393040672793113
Energy: 1.20921310129265
Energy: 1.3393040672786896
Energy: 1.2092131012932719
Energy: 1.2574847769710675
Energy: 1.2533805783451164
Energy: 1.2574847769716895
Energy: 1.2533805783451164
Energy: 1.2574847769704458
Energy: 1.2533805783457383
Energy: 1.2024034536559405
Energy: 1.2534331301792094
Energy: 1.2024034536546968
Energy: 1.2534331301792094
Energy: 1.2024034536559405
Energy: 1.2534331301792094
Energy: 1.2871098009113515
Energy: 1.2091905627013244
Energy: 1.2871098009113515
Energy: 1.2091905627013244
Energy: 1.2871098009107296
Energy: 1.2091905627007027
Energy: 1.2096785592430706
Energy: 1.5245067845210285
Energy: 1.2096969170413148
Energy: 1.5245067845216507
Energy: 1.2096785592430706
Energy: 1.5245067845210285
Energy: 1.4826465488548897
Energy: 1.4069188136240387
Energy: 1.4826465488548897
Energy: 1.4069188136252828
Energy: 1.4826465488548897
Energy: 1.406918813623417
Energy: 1.2372798860267655
Energy: 1.2950131302698686
Energy: 1.2372798860280094
Energy: 1.2950131302698686
Energy: 1.2372798860280094
Energy: 1.2950131302680028
Energy: 1.339412113178996
Energy: 1.3782217073408387
Energy: 1.3394121131783743
Energy: 1.3782217073408387
Energy: 1.339412113178996
Energy: 1.3782217073408387
Energy: 1.2092500453024013
Energy: 1.2564051825732392
Energy: 1.2092500453024013
Energy: 1.2564051825732392
Energy: 1.2092500453024013
Energy: 1.256405182573861
Energy: 1.3393040672786896
Energy: 1.209220296381465
Energy: 1.3393040672780676
Energy: 1.2092202963808432
Energy: 1.3393040672786896
Energy: 1.209220296381465
Energy: 1.2574847769710675
Energy: 1.2533805783444947
Energy: 1.2574847769723114
Energy: 1.2533805783444947
Energy: 1.2574847769716895
Energy: 1.2533805783457383
Energy: 1.2024034536553185
Energy: 1.2534331301792094
Energy: 1.2024034536540749
Energy: 1.2534331301792094
Energy: 1.2024034536553185
Energy: 1.253433130179831
Energy: 1.2871098009107296
Energy: 1.2091905627019464
Energy: 1.2871098009107296
Energy: 1.2091905627019464
Energy: 1.2871098009107296
Energy: 1.2091905627013244
Energy: 1.209336667122943
Energy: 1.5245067845216507
Energy: 1.2094975176610134
Energy: 1.5245067845216507
Energy: 1.209336667122943
Energy: 1.5245067845216507
Energy: 1.2869640671344433
Energy: 1.4069188136252828
Energy: 1.4826465488542675
Energy: 1.4069188136252828
Energy: 1.2869640671344433
Energy: 1.4069188136240387
Energy: 1.2746549369526954
Energy: 1.2950131302698686
Energy: 1.2372798860280094
Energy: 1.2950131302698686
Energy: 1.2746549369526954
Energy: 1.2950131302680028
Energy: 1.3394121131796182
Energy: 1.3782217073408387
Energy: 1.339412113178996
Energy: 1.3782217073408387
Energy: 1.3394121131796182
Energy: 1.3782217073402165
Energy: 1.2092500453024013
Energy: 1.256405182572617
Energy: 1.2092500453017794
Energy: 1.2564051825732392
Energy: 1.2092500453024013
Energy: 1.2564051825732392
Energy: 1.3393040672786896
Energy: 1.20921310129265
Energy: 1.3393040672786896
Energy: 1.20921310129265
Energy: 1.3393040672786896
Energy: 1.20921310129265
Energy: 1.2574847769710675
Energy: 1.2533805783444947
Energy: 1.2574847769723114
Energy: 1.2533805783444947
Energy: 1.2574847769710675
Energy: 1.2533805783451164
Energy: 1.2024034536559405
Energy: 1.253433130180453
Energy: 1.2024034536546968
Energy: 1.253433130179831
Energy: 1.2024034536553185
Energy: 1.253433130180453
Energy: 1.2871098009107296
Energy: 1.2091905627013244
Energy: 1.2871098009113515
Energy: 1.2091905627013244
Energy: 1.2871098009113515
Energy: 1.2091905627007027
Energy: 1.2096785592430706
Energy: 1.5245067845216507
Energy: 1.2096969170406928
Energy: 1.5245067845216507
Energy: 1.2096785592424488
Energy: 1.5245067845216507
Energy: 1.4826465488548897
Energy: 1.4069188136252828
Energy: 1.4826465488542675
Energy: 1.4069188136246606
Energy: 1.4826465488542675
Energy: 1.4069188136252828
Energy: 1.2372798860273875
Energy: 1.2950131302698686
Energy: 1.2372798860280094
Energy: 1.2950131302698686
Energy: 1.2372798860280094
Energy: 1.2950131302680028
Energy: 1.3394121131796182
Energy: 1.3782217073414604
Energy: 1.3394121131796182
Energy: 1.3782217073414604
Energy: 1.3394121131802401
Energy: 1.3782217073408387
Energy: 1.2092500453030235
Energy: 1.2564051825732392
Energy: 1.2092500453024013
Energy: 1.2564051825732392
Energy: 1.2092500453030235
Energy: 1.2564051825732392

minimum gb energy = 1.2024034536540749 eV
minimum distance =  2.36708927281513 Angstroms
sigma value = 27


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

Energy: 1.1816349098373042
Energy: 1.1168108946950255
Energy: 1.1816349098373042
Energy: 1.1168108946950255
Energy: 1.1816349098373042
Energy: 1.1168108946950255
Energy: 1.4319443808547296
Energy: 1.1696261880139502
Energy: 1.4319443808547296
Energy: 1.1696261880139502
Energy: 1.4319443808547296
Energy: 1.1696261880139502
Energy: 1.218737514770217
Energy: 1.3297758535065916
Energy: 1.10749990340048
Energy: 1.3297758535065916
Energy: 1.2187375147686936
Energy: 1.3297758535065916
Energy: 1.3783156236883332
Energy: 1.1049290766858664
Energy: 1.3783156236883332
Energy: 1.1049290766858664
Energy: 1.3783156236883332
Energy: 1.1049290766858664
Energy: 1.3124223815632108
Energy: 1.106151088950729
Energy: 1.3124223815632108
Energy: 1.1061510889492054
Energy: 1.3124223815632108
Energy: 1.1061510889492054
Energy: 1.2829804726181044
Energy: 1.353520660824326
Energy: 1.2829804726181044
Energy: 1.353520660824326
Energy: 1.2829804726181044
Energy: 1.3535206608258492
Energy: 1.1062270009581507
Energy: 1.1595447841656488
Energy: 1.106227000959674
Energy: 1.1595447841656488
Energy: 1.106227000959674
Energy: 1.1595447841656488
Energy: 1.1775345709542766
Energy: 1.1191189742552783
Energy: 1.1775345709542766
Energy: 1.1191189742552783
Energy: 1.1775345709527534
Energy: 1.1191189742552783
Energy: 1.207854429752636
Energy: 1.1978908967618243
Energy: 1.2078544297511127
Energy: 1.197890896764871
Energy: 1.2078544297511127
Energy: 1.1978908967572541
Energy: 1.3726338357582046
Energy: 1.2617455855722859
Energy: 1.3726338357582046
Energy: 1.2617455855722859
Energy: 1.3726338357582046
Energy: 1.2617455855722859
Energy: 1.1801856451711714
Energy: 1.1105769058311243
Energy: 1.1801856451711714
Energy: 1.1105769058311243
Energy: 1.1801856451711714
Energy: 1.1105769058311243
Energy: 1.2924903665361513
Energy: 1.2096794620110358
Energy: 1.2924903665361513
Energy: 1.2096794620095124
Energy: 1.2924903665331045
Energy: 1.2096794620110358

minimum gb energy = 1.1049290766858664 eV
minimum distance =  2.23331390619683 Angstroms
sigma value = 9


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

Energy: 1.0610297874820893
Energy: 1.1838613492458039
Energy: 1.0610297874816612
Energy: 1.1838613492462318
Energy: 1.0610297874816612
Energy: 1.1838613492458039
Energy: 1.1301983697200646
Energy: 0.9910001645271813
Energy: 1.1301983697209204
Energy: 1.0688076994478843
Energy: 1.1301983697204925
Energy: 1.0688076994483124
Energy: 0.9930174361085243
Energy: 1.185234820415337
Energy: 0.9930174361089523
Energy: 1.1852348204149088
Energy: 0.9930174361080963
Energy: 1.185234820415765
Energy: 0.9889402330815927
Energy: 0.9740958139168501
Energy: 0.9889402330807368
Energy: 0.9740958139164222
Energy: 0.9889402330815927
Energy: 0.9740958139168501
Energy: 1.1275313501019395
Energy: 1.0847658713161346
Energy: 1.1275313501023674
Energy: 1.0847658713152784
Energy: 1.1275313501023674
Energy: 1.0847658713161346
Energy: 1.0774795047004648
Energy: 1.0776336541350577
Energy: 1.0774795046996086
Energy: 1.0722336151458924
Energy: 1.0774795046991807
Energy: 1.0722336151454646
Energy: 0.9993464776335242
Energy: 1.1708124120299632
Energy: 0.9993464776326682
Energy: 1.1708124120295353
Energy: 0.9993464776335242
Energy: 1.1708124120295353
Energy: 0.9466847860174208
Energy: 1.156884846447776
Energy: 0.9466847860165648
Energy: 1.156884846448204
Energy: 0.9466847860165648
Energy: 1.156884846448204
Energy: 1.406866361925983
Energy: 1.0852671409487897
Energy: 1.4068663619255548
Energy: 1.0852671409483619
Energy: 1.4068663619255548
Energy: 1.0852671409483619
Energy: 1.0918772339168143
Energy: 1.3354132019065468
Energy: 1.0918772339159586
Energy: 1.3354132019061185
Energy: 1.0918772339159586
Energy: 1.3354132019061185
Energy: 0.9885257918106373
Energy: 0.980575500061709
Energy: 0.9885257918114935
Energy: 0.980575500061709
Energy: 0.9885257918102092
Energy: 0.980575500061709
Energy: 1.0252811594646818
Energy: 1.1094516526945943
Energy: 1.0252811594642537
Energy: 1.1094516526928822
Energy: 1.0252811594638256
Energy: 1.1094516526928822
Energy: 1.0391557485418272
Energy: 1.0399865498295913
Energy: 1.0391557485431113
Energy: 1.0399865498291632
Energy: 1.0391557485422551
Energy: 1.0399865498295913
Energy: 1.0579488363415697
Energy: 1.4339031403104219
Energy: 1.0579488363415697
Energy: 1.433903140309566
Energy: 1.0579488363402856
Energy: 1.433903140309566
Energy: 0.9764048699542247
Energy: 1.1504188199427225
Energy: 0.9764048699546527
Energy: 1.1504188199422947
Energy: 0.9764048699533686
Energy: 1.1504188199422947
Energy: 1.381355453197042
Energy: 1.0001073749309444
Energy: 1.3813554531978982
Energy: 1.0001073749313725
Energy: 1.3813554531978982
Energy: 1.0001073749305163
Energy: 1.3711392703588332
Energy: 0.9764469371868457
Energy: 1.3711392703588332
Energy: 0.9764469371881298
Energy: 1.3711392703588332
Energy: 0.9764469371872737
Energy: 0.9909099110904861
Energy: 1.070030313867083
Energy: 0.9909099110892019
Energy: 1.0700303138675114
Energy: 0.9909099110900581
Energy: 1.070030313867083
Energy: 0.9451951919160587
Energy: 1.3171754560009414
Energy: 0.9451951919156305
Energy: 1.3171754560005131
Energy: 0.9451951919164867
Energy: 1.3171754560005131
Energy: 1.397645367334367
Energy: 1.1718113680909363
Energy: 1.3976453673335107
Energy: 1.185568795096271
Energy: 1.3976453673330826
Energy: 1.185568795095843
Energy: 0.9454056885221067
Energy: 1.3172099797270735
Energy: 0.9454056885216786
Energy: 1.3172099797270735
Energy: 0.9454056885221067
Energy: 1.3172099797270735
Energy: 0.9909119856420029
Energy: 1.0700483917997539
Energy: 0.9909119856402907
Energy: 1.070048391799326
Energy: 0.9909119856420029
Energy: 1.0700483917997539
Energy: 1.3623748746456548
Energy: 0.9759626651574206
Energy: 1.3623748746447983
Energy: 0.9759626651578486
Energy: 1.3623748746452267
Energy: 0.9759626651574206
Energy: 1.3410109616521286
Energy: 1.0304455203208795
Energy: 1.3410109616521286
Energy: 1.0304455203221636
Energy: 1.3410109616521286
Energy: 1.0304455203213077
Energy: 0.9762904250163207
Energy: 1.1506000850103537
Energy: 0.9762904250163207
Energy: 1.1506000850094973
Energy: 0.9762904250163207
Energy: 1.1506000850099254
Energy: 1.058042795044222
Energy: 1.146860752271806
Energy: 1.05804279504465
Energy: 1.1468607522713776
Energy: 1.058042795044222
Energy: 1.146860752271806
Energy: 1.0389907664863272
Energy: 1.0400232085512544
Energy: 1.0389907664871834
Energy: 1.0400232085508263
Energy: 1.0389907664867555
Energy: 1.0400232085508263
Energy: 1.025064501012981
Energy: 1.0161463656157754
Energy: 1.0250645010138368
Energy: 1.0161463656157754
Energy: 1.025064501012981
Energy: 1.0161463656162035
Energy: 0.9885048674826005
Energy: 0.9802778759404794
Energy: 0.9885048674817833
Energy: 0.9802778759404794
Energy: 0.9885048674822116
Energy: 0.9802778759400513
Energy: 1.0920007672620702
Energy: 1.0689074622124672
Energy: 1.0920007672654946
Energy: 1.0689074622128953
Energy: 1.0920007672642105
Energy: 1.0689074622124672
Energy: 1.4071456256910335
Energy: 1.0850613438906611
Energy: 1.4071456256914614
Energy: 1.0850613438906611
Energy: 1.4071456256918893
Energy: 1.0850613438910892
Energy: 0.9466479204183076
Energy: 1.1570588037643297
Energy: 0.9466479204183076
Energy: 1.1570588037643297
Energy: 0.9466479204174515
Energy: 1.1570588037643297
Energy: 0.9998304178367531
Energy: 1.17083634471186
Energy: 0.9998304178367531
Energy: 1.17083634471186
Energy: 0.999830417836325
Energy: 1.170836344711432
Energy: 1.0772668573452187
Energy: 1.0503737453184208
Energy: 1.0772668573473587
Energy: 1.0503737453171365
Energy: 1.0772668573460746
Energy: 1.0503737453188486
Energy: 1.089037636381786
Energy: 1.0847608977748713
Energy: 1.089037636381786
Energy: 1.0847608977735872
Energy: 1.0890376363805019
Energy: 1.0847608977735872
Energy: 0.9885457956302434
Energy: 0.9741056400055454
Energy: 0.9885457956310996
Energy: 0.9741056400051175
Energy: 0.9885457956310996
Energy: 0.9741056400051175
Energy: 0.993210116067389
Energy: 1.185273667484259
Energy: 0.9932101160669609
Energy: 1.1852736674846869
Energy: 0.9932101160661049
Energy: 1.185273667483831
Energy: 1.1299789837588397
Energy: 0.912552320596107
Energy: 1.1299789837601237
Energy: 0.9125523205956791
Energy: 1.1299789837579837
Energy: 0.9125523205939671
Energy: 1.0610297874808052
Energy: 1.1838613492445198
Energy: 1.0610297874803771
Energy: 1.1838613492445198
Energy: 1.0610297874803771
Energy: 1.1838613492440917
Energy: 1.1301983697204925
Energy: 1.0688076994487403
Energy: 1.1301983697209204
Energy: 1.0688076994487403
Energy: 1.1301983697209204
Energy: 1.0688076994483124
Energy: 0.9930174361080963
Energy: 1.1852348204127687
Energy: 0.9930174361076682
Energy: 1.185234820413197
Energy: 0.9930174361076682
Energy: 1.1852348204123406
Energy: 0.9889402330820208
Energy: 0.9740958139172782
Energy: 0.9889402330807368
Energy: 0.9740958139177063
Energy: 0.9889402330820208
Energy: 0.9740958139177063
Energy: 1.1275313501032236
Energy: 1.0847658713157065
Energy: 1.1275313501040796
Energy: 1.0847658713148505
Energy: 1.1275313501027957
Energy: 1.0847658713148505

minimum gb energy = 0.9125523205939671 eV
minimum distance =  2.31122050877276 Angstroms
sigma value = 57


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

Energy: 0.514799280537516
Energy: 0.5095966806052539
Energy: 0.3921193576345957
Energy: 0.5095966806052539
Energy: 0.514799280537516
Energy: 0.5095966806052539
Energy: 0.6703507522606734
Energy: 0.5075972196981181
Energy: 0.6703507522606734
Energy: 0.5075972196990924
Energy: 0.6703507522606734
Energy: 0.5075972196981181
Energy: 0.5721061576795511
Energy: 1.045747843107575
Energy: 0.5721061576814997
Energy: 1.045747843107575
Energy: 0.5721061576795511
Energy: 1.0457478431095237
Energy: 0.5110405661519404
Energy: 0.39182927316417737
Energy: 0.5110405661519404
Energy: 0.39182927316515176
Energy: 0.5110405661519404
Energy: 0.3918292731661261
Energy: 0.5622628593727589
Energy: 0.6768035296462284
Energy: 0.5622628593737332
Energy: 0.6768035296452539
Energy: 0.5622628593727589
Energy: 0.6768035296442797
Energy: 0.39201889009522456
Energy: 1.5419569200662
Energy: 0.3920188900961989
Energy: 1.541956920067174
Energy: 0.39201889009522456
Energy: 1.5419569200662
Energy: 0.392136461969661
Energy: 0.46612470669750067
Energy: 0.39213646197160973
Energy: 0.46612470669750067
Energy: 0.392136461969661
Energy: 0.4661247066965263
Energy: 0.67057074953404
Energy: 0.5691619987007661
Energy: 0.67057074953404
Energy: 0.5691619987017406
Energy: 0.67057074953404
Energy: 0.5691619987036893
Energy: 0.5110347895938091
Energy: 0.391835143344953
Energy: 0.5110347895938091
Energy: 0.391835143344953
Energy: 0.5110347895938091
Energy: 0.3918351433439787
Energy: 0.4665765584438691
Energy: 1.2443786421894212
Energy: 0.46657655844484347
Energy: 1.2443786421894212
Energy: 0.46657655844289475
Energy: 1.2443786421884468
Energy: 0.561774557014932
Energy: 1.308479334996743
Energy: 0.561774557014932
Energy: 1.308479334996743
Energy: 0.561774557014932
Energy: 1.3084793349977173
Energy: 0.514799280537516
Energy: 0.5095966806052539
Energy: 0.3921193576336213
Energy: 0.5095966806052539
Energy: 0.514799280537516
Energy: 0.5095966806062282
Energy: 0.6703507522606734
Energy: 0.5075972197010412
Energy: 0.6703507522606734
Energy: 0.5075972197020155
Energy: 0.6703507522606734
Energy: 0.5075972197000669
Energy: 0.5721061576805255
Energy: 1.0457478431066005
Energy: 0.5721061576814997
Energy: 1.0457478431066005
Energy: 0.5721061576805255
Energy: 1.045747843107575
Energy: 0.511040566150966
Energy: 0.39182927316515176
Energy: 0.511040566150966
Energy: 0.39182927316515176
Energy: 0.511040566150966
Energy: 0.3918292731671005
Energy: 0.5622628593737332
Energy: 0.6768035296452539
Energy: 0.5622628593747075
Energy: 0.6768035296452539
Energy: 0.5622628593737332
Energy: 0.6768035296452539
Energy: 0.3920188900961989
Energy: 1.541956920067174
Energy: 0.3920188900981476
Energy: 1.541956920067174
Energy: 0.3920188900961989
Energy: 1.541956920067174
Energy: 0.39213646196771224
Energy: 0.4661247066965263
Energy: 0.3921364619686866
Energy: 0.4661247066965263
Energy: 0.3921364619686866
Energy: 0.46612470669555195
Energy: 0.67057074953404
Energy: 0.5691619987007661
Energy: 0.67057074953404
Energy: 0.5691619987007661
Energy: 0.6705707495350143
Energy: 0.5691619987027149

minimum gb energy = 0.39182927316417737 eV
minimum distance =  2.4010715494078 Angstroms
sigma value = 11


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

Energy: 0.9472130333942231
Energy: 1.0118687267513229
Energy: 0.9472130333942231
Energy: 1.0118687267513229
Energy: 0.9472130333942231
Energy: 1.0118687267506088
Energy: 1.0457451034529526
Energy: 0.9694290270230379
Energy: 1.0457451034536664
Energy: 0.9694290270230379
Energy: 1.0457451034536664
Energy: 0.9694290270230379
Energy: 1.0707847446698011
Energy: 1.4323955386812213
Energy: 1.2013212628062906
Energy: 1.432395538681935
Energy: 1.1642795675536473
Energy: 1.4323955386812213
Energy: 1.1893796173307871
Energy: 0.8407227851284129
Energy: 1.1893796173307871
Energy: 0.8407227851276993
Energy: 1.1893796173315008
Energy: 0.8407227851284129
Energy: 1.0045875563658389
Energy: 0.8784277972000736
Energy: 1.0045875563658389
Energy: 0.8784277972000736
Energy: 1.0045875563665527
Energy: 0.8784277972000736
Energy: 0.9642705688745278
Energy: 1.0847268038067772
Energy: 0.964270568873814
Energy: 1.0847268038074909
Energy: 0.964270568873814
Energy: 1.0847268038074909
Energy: 0.8075773629090776
Energy: 1.0896242703692147
Energy: 0.8075773629097912
Energy: 1.0896242703706422
Energy: 0.8075773629090776
Energy: 1.0896242703727836
Energy: 1.0237729749861972
Energy: 0.776445526590057
Energy: 1.0237729749861972
Energy: 0.7764455265914845
Energy: 1.023772974986911
Energy: 0.7764455265907707
Energy: 1.025806136202591
Energy: 0.774258534521996
Energy: 1.0258061362033046
Energy: 0.7742585345212822
Energy: 1.025806136201877
Energy: 0.774258534521996
Energy: 0.7994610131293527
Energy: 1.1796143888889639
Energy: 0.7994610131279252
Energy: 1.1796143888889639
Energy: 0.7994610131286389
Energy: 1.1796143888896777
Energy: 0.9706519278148602
Energy: 1.2201510198629315
Energy: 0.9706519278127189
Energy: 1.2201510198629315
Energy: 0.9706519278155739
Energy: 1.2201510198629315
Energy: 0.974167638544417
Energy: 0.8823859289802027
Energy: 0.9741676385458445
Energy: 0.8823859289802027
Energy: 0.9741676385451309
Energy: 0.8823859289802027
Energy: 1.0244516557117858
Energy: 0.8476148579744783
Energy: 1.0244516557124994
Energy: 0.8476148579744783
Energy: 1.0244516557110719
Energy: 0.8476148579744783
Energy: 1.1360153010981622
Energy: 1.3987815451728314
Energy: 1.136015301097448
Energy: 1.3987815451756862
Energy: 1.1360153010981622
Energy: 1.3987815451756862
Energy: 1.073039402722376
Energy: 0.9701623701866914
Energy: 1.0730394027238033
Energy: 0.9701623701866914
Energy: 1.0730394027216623
Energy: 0.9701623701859775
Energy: 0.8690678039558498
Energy: 1.020891079936545
Energy: 0.8690678039565636
Energy: 1.020891079936545
Energy: 0.8690678039558498
Energy: 1.020891079936545
Energy: 0.8748287664975366
Energy: 0.9745834792286595
Energy: 0.874828766496823
Energy: 0.9745834792286595
Energy: 0.8748287664975366
Energy: 0.9745834792286595
Energy: 1.2462039080101912
Energy: 1.230283823803226
Energy: 1.2462039080109049
Energy: 1.230283823803226
Energy: 1.2462039080109049
Energy: 1.230283823802512
Energy: 1.1821320312637016
Energy: 0.8356306352887873
Energy: 1.182132031262274
Energy: 0.8356306352887873
Energy: 1.1821320312637016
Energy: 0.8356306352895011
Energy: 0.9740889986990904
Energy: 0.9028511682699378
Energy: 0.9740889986983768
Energy: 0.902851168269224
Energy: 0.9740889986983768
Energy: 0.9028511682713652
Energy: 0.8434124732405648
Energy: 1.0815470264617368
Energy: 0.8434124732412787
Energy: 1.0815470264617368
Energy: 0.8434124732405648
Energy: 1.0815470264624507
Energy: 1.0513945899114603
Energy: 1.1383062223945375
Energy: 1.0513945899078916
Energy: 1.138306222395965
Energy: 1.051394589907178
Energy: 1.1383062223945375
Energy: 1.023665972130413
Energy: 0.9285134654593209
Energy: 1.023665972130413
Energy: 0.9285134654600345
Energy: 1.023665972130413
Energy: 0.9285134654593209
Energy: 1.008715014612731
Energy: 0.8744410895109131
Energy: 1.008715014612731
Energy: 0.8744410895087719
Energy: 1.008715014612731
Energy: 0.8744410895087719
Energy: 0.8433711902306642
Energy: 1.228763171892092
Energy: 0.8433711902328054
Energy: 1.228763171891378
Energy: 0.8433711902306642
Energy: 1.228763171892092
Energy: 1.44388525037152
Energy: 1.2298745217469234
Energy: 1.44388525037152
Energy: 1.2298745217469234
Energy: 1.4438852503722337
Energy: 1.2298745217476372

minimum gb energy = 0.7742585345212822 eV
minimum distance =  2.28789087544205 Angstroms
sigma value = 41


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

Energy: 1.0843038983108337
Energy: 0.9716424519915577
Energy: 1.084303898311396
Energy: 0.9716424519915577
Energy: 1.084303898311396
Energy: 0.9716424519909951
Energy: 1.1059314419197075
Energy: 1.1584775231957016
Energy: 1.1059314419197075
Energy: 1.1584775231962643
Energy: 1.1059314419191448
Energy: 1.1584775231957016
Energy: 1.3878648715185098
Energy: 1.6302664988510485
Energy: 1.3878648715190722
Energy: 1.6302664988504858
Energy: 1.3878648715185098
Energy: 1.6302664988504858
Energy: 1.0891094323426567
Energy: 0.9513440989990909
Energy: 1.0891094323426567
Energy: 0.9513440989996534
Energy: 1.0891094323415313
Energy: 0.9513440989990909
Energy: 0.9127065128930965
Energy: 1.0126728081143244
Energy: 0.912706512893659
Energy: 1.0126728081143244
Energy: 0.9127065128930965
Energy: 1.0126728081137617
Energy: 1.1076512001389702
Energy: 1.3380020544192441
Energy: 1.1076512001384078
Energy: 1.3380020544192441
Energy: 1.1076512001406578
Energy: 1.3380020544192441
Energy: 0.9036065702551402
Energy: 1.2892289658280274
Energy: 0.9036065702551402
Energy: 1.2892289658280274
Energy: 0.9036065702557027
Energy: 1.289228965827465
Energy: 0.9087767966671104
Energy: 0.9512336729584472
Energy: 0.9087767966665478
Energy: 0.9512336729584472
Energy: 0.9087767966659852
Energy: 0.9512336729578845
Energy: 0.8816989594550186
Energy: 1.0070107956635812
Energy: 0.8816989594550186
Energy: 1.0070107956641436
Energy: 0.8816989594550186
Energy: 1.0070107956641436
Energy: 0.9795774138179382
Energy: 1.3564599992172675
Energy: 0.979577413816813
Energy: 1.3564599992167048
Energy: 0.9795774138173755
Energy: 1.3564599992172675
Energy: 0.9797579212669827
Energy: 1.350932270551396
Energy: 0.97975792126642
Energy: 1.3509322705502709
Energy: 0.9797579212675452
Energy: 1.3509322705508335
Energy: 0.8831703832742173
Energy: 1.0669087432400466
Energy: 0.8831703832742173
Energy: 1.066908743239484
Energy: 0.8831703832742173
Energy: 1.066908743239484
Energy: 0.8740099856707401
Energy: 0.9548800634846489
Energy: 0.8740099856701775
Energy: 0.9548800634846489
Energy: 0.8740099856707401
Energy: 0.9548800634846489
Energy: 0.8706965192067913
Energy: 1.3111583547796974
Energy: 0.8706965192079165
Energy: 1.3111583547802599
Energy: 0.8706965192073539
Energy: 1.3111583547808225
Energy: 1.1062040005432279
Energy: 1.3376815731476344
Energy: 1.1062040005432279
Energy: 1.3376815731476344
Energy: 1.1062040005432279
Energy: 1.3376815731476344
Energy: 0.87403320182073
Energy: 1.053838289238732
Energy: 0.87403320182073
Energy: 1.053838289238732
Energy: 0.87403320182073
Energy: 1.053838289238732
Energy: 0.9688970426577399
Energy: 0.9553959623016879
Energy: 0.9688970426583026
Energy: 0.9553959623016879
Energy: 0.9688970426577399
Energy: 0.9553959623005627
Energy: 1.1582771171237085
Energy: 1.64087676791008
Energy: 1.1582771171225834
Energy: 1.64087676791008
Energy: 1.1582771171225834
Energy: 1.64087676791008
Energy: 1.1424675577046537
Energy: 1.1427891268904884
Energy: 1.142467557704091
Energy: 1.1427891268904884
Energy: 1.1424675577035286
Energy: 1.1427891268904884
Energy: 0.9795721510831386
Energy: 1.2084468134495479
Energy: 0.9795721510831386
Energy: 1.2084468134495479
Energy: 0.9795721510831386
Energy: 1.2084468134495479
Energy: 0.9742522071426247
Energy: 1.1621786249951593
Energy: 0.9742522071426247
Energy: 1.1621786249945967
Energy: 0.9742522071426247
Energy: 1.1621786249951593
Energy: 1.3860004493394191
Energy: 1.4663445561230815
Energy: 1.3860004493394191
Energy: 1.466344556121394
Energy: 1.3860004493388567
Energy: 1.4663445561225188
Energy: 1.0573530889441687
Energy: 0.9513718194241624
Energy: 1.0573530889441687
Energy: 0.9513718194247249
Energy: 1.0573530889436062
Energy: 0.9513718194241624
Energy: 0.8740254463272047
Energy: 1.195581306502344
Energy: 0.8740254463260796
Energy: 1.195581306502344
Energy: 0.8740254463272047
Energy: 1.195581306502344
Energy: 0.9066343401327243
Energy: 1.2054571218210934
Energy: 0.9066343401338494
Energy: 1.2054571218199683
Energy: 0.9066343401327243
Energy: 1.2054571218210934
Energy: 0.9031112126327894
Energy: 0.903915737894562
Energy: 0.9031112126327894
Energy: 0.9039157378934368
Energy: 0.9031112126327894
Energy: 0.9039157378934368
Energy: 0.90788819015514
Energy: 0.9513265346034516
Energy: 0.9078881901557024
Energy: 0.9513265346028891
Energy: 0.9078881901557024
Energy: 0.9513265346023265
Energy: 0.9738067836077011
Energy: 1.2005358094027592
Energy: 0.9738067836071387
Energy: 1.2005358094027592
Energy: 0.9738067836077011
Energy: 1.2005358094027592
Energy: 0.9791581141633977
Energy: 1.1578728461244514
Energy: 0.9791581141628352
Energy: 1.1578728461244514
Energy: 0.9791581141628352
Energy: 1.1578728461244514
Energy: 1.2027429009041928
Energy: 0.8376952890008279
Energy: 1.2027429009047552
Energy: 0.8376952890008279
Energy: 1.2027429009047552
Energy: 0.837695289001953
Energy: 0.8626057484105678
Energy: 1.0681526616778292
Energy: 0.8626057484100054
Energy: 1.0681526616778292
Energy: 0.8626057484105678
Energy: 1.0681526616778292
Energy: 0.9725134801816893
Energy: 0.9535408926842858
Energy: 0.9725134801811267
Energy: 0.9535408926848483
Energy: 0.9725134801816893
Energy: 0.9535408926848483
Energy: 0.8709073798458772
Energy: 1.0523926075391603
Energy: 0.8709073798453149
Energy: 1.0523926075391603
Energy: 0.8709073798447523
Energy: 1.0523926075385976

minimum gb energy = 0.8376952890008279 eV
minimum distance =  2.29796489806451 Angstroms
sigma value = 33


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

Energy: 1.055548608847873
Energy: 0.9954566916285222
Energy: 1.055548608847442
Energy: 0.9954566916288812
Energy: 1.0555486088482318
Energy: 0.995456691629312
Energy: 1.093196985530412
Energy: 0.918752496685191
Energy: 1.0931969855288328
Energy: 0.9187524966844014
Energy: 1.0931969855299812
Energy: 0.9187524966844014
Energy: 1.4621007895747105
Energy: 1.3027948776263858
Energy: 1.4621007895750695
Energy: 1.3027948776255962
Energy: 1.4621007895739209
Energy: 1.3027948776255962
Energy: 1.0137566814168062
Energy: 0.9750321398919856
Energy: 1.0137566814168062
Energy: 0.9750321398923445
Energy: 1.0137566814163754
Energy: 0.9750321398923445
Energy: 0.9836401594833162
Energy: 1.4503540471111414
Energy: 0.9836401594820958
Energy: 1.4503540471111414
Energy: 0.9836401594820958
Energy: 1.4503540471111414
Energy: 1.2540758709434874
Energy: 0.9961423919736919
Energy: 1.2540758709430568
Energy: 0.9961423919740509
Energy: 1.2540758709430568
Energy: 0.9961423919748404
Energy: 1.0031632430465638
Energy: 1.0862198498799704
Energy: 1.0031632430489326
Energy: 1.0862198498788218
Energy: 1.0031632430473534
Energy: 1.08621984988076
Energy: 1.0479608224617043
Energy: 1.0605398531496673
Energy: 1.0479608224629247
Energy: 1.0605398531504568
Energy: 1.0479608224617043
Energy: 1.0605398531496673
Energy: 1.4487975496553778
Energy: 1.0724382788325977
Energy: 1.4487975496561674
Energy: 1.0724382788325977
Energy: 1.4487975496558085
Energy: 1.0724382788325977
Energy: 1.3056451953135395
Energy: 0.9544833716083893
Energy: 1.3056451953138983
Energy: 0.9544833716091787
Energy: 1.3056451953123192
Energy: 0.9544833716083893
Energy: 1.0482447104149115
Energy: 1.0477870310794053
Energy: 1.0482447104149115
Energy: 1.047787031079836
Energy: 1.048244710414122
Energy: 1.0477870310801949
Energy: 1.4544180326297815
Energy: 0.9747141664955647
Energy: 1.4544180326293512
Energy: 0.974714166494775
Energy: 1.4544180326285614
Energy: 0.9747141664939855
Energy: 1.0738605067959195
Energy: 1.446688775403787
Energy: 1.0738605067959195
Energy: 1.4466887754042177
Energy: 1.0738605067967089
Energy: 1.446688775403428
Energy: 1.072713666252882
Energy: 1.0463530503933665
Energy: 1.072713666252882
Energy: 1.0463530503968839
Energy: 1.0727136662525232
Energy: 1.0463530503929357
Energy: 1.057951938470199
Energy: 1.003588131768951
Energy: 1.0579519384686198
Energy: 1.0035881317678024
Energy: 1.0579519384686198
Energy: 1.0035881317678024
Energy: 0.9996469854303514
Energy: 1.2552213513695756
Energy: 0.9996469854292027
Energy: 1.2552213513695756
Energy: 0.999646985428772
Energy: 1.2552213513692168
Energy: 1.4569944239997836
Energy: 0.9849741969306332
Energy: 1.4569944239985635
Energy: 0.984974196930992
Energy: 1.4569944239997836
Energy: 0.984974196930992
Energy: 0.955528544873565
Energy: 1.0140487442357282
Energy: 0.955528544873565
Energy: 1.0140487442357282
Energy: 0.9555285448719859
Energy: 1.0140487442357282
Energy: 1.302669891904679
Energy: 1.4664870421291991
Energy: 1.3026698919051096
Energy: 1.4664870421291991
Energy: 1.302669891904679
Energy: 1.4664870421291991
Energy: 1.2174408773958039
Energy: 1.0725146435061106
Energy: 1.2174408773945837
Energy: 1.0725146435057518
Energy: 1.2174408773965937
Energy: 1.0725146435065411
Energy: 0.9965475597710369
Energy: 1.056330048574718
Energy: 0.9965475597706062
Energy: 1.056330048574718
Energy: 0.9965475597702471
Energy: 1.0563300485743592
Energy: 0.9457747312787458
Energy: 1.0926943060116687
Energy: 0.9457747312795355
Energy: 1.0926943060124583
Energy: 0.9457747312791047
Energy: 1.0926943060116687
Energy: 1.0563220953402266
Energy: 1.2408319413528002
Energy: 1.0563220953390065
Energy: 1.2408319413531592
Energy: 1.056322095335848
Energy: 1.2408319413528002
Energy: 0.9891959358085554
Energy: 1.0178526992112016
Energy: 0.9891959358085554
Energy: 1.0178526991878725
Energy: 0.9891959358085554
Energy: 1.0178526992175185
Energy: 1.443003015514327
Energy: 0.9849884166176177
Energy: 1.443003015514327
Energy: 0.9849884166180484
Energy: 1.4430030155147575
Energy: 0.9849884166172587
Energy: 0.9670356062246035
Energy: 1.2510180394070682
Energy: 0.9670356062250343
Energy: 1.2510180394074273
Energy: 0.9670356062246035
Energy: 1.2510180394074273
Energy: 1.0930854280812643
Energy: 1.005824563414206
Energy: 1.0930854280824849
Energy: 1.0058245634173644
Energy: 1.0930854280832745
Energy: 1.0058245634114065
Energy: 1.0590965697623353
Energy: 0.9976246065557237
Energy: 1.0590965697626944
Energy: 0.9976246065557237
Energy: 1.0590965697619048
Energy: 0.9976246065568722
Energy: 1.0704912193472573
Energy: 1.446601395403678
Energy: 1.0704912193464677
Energy: 1.446601395403678
Energy: 1.0704912193468266
Energy: 1.446601395403678
Energy: 0.9820881001976157
Energy: 1.3037376896508412
Energy: 0.9820881001976157
Energy: 1.3037376896508412
Energy: 0.9820881001968261
Energy: 1.3037376896504824
Energy: 1.0135394174776289
Energy: 0.9527871101687702
Energy: 1.013539417479208
Energy: 0.9527871101676216
Energy: 1.0135394174776289
Energy: 0.9527871101679806
Energy: 0.9888295027090731
Energy: 1.4674010588519968
Energy: 0.9888295027082836
Energy: 1.467401058851638
Energy: 0.9888295027090731
Energy: 1.467401058851638
Energy: 1.4502310492988242
Energy: 0.9961544709164099
Energy: 1.4502310492980346
Energy: 0.9961544709159791
Energy: 1.4502310492984654
Energy: 0.9961544709159791
Energy: 1.0450211823156756
Energy: 1.064112438767555
Energy: 1.0450211823161062
Energy: 1.064112438767196
Energy: 1.045021182316896
Energy: 1.064112438767196
Energy: 1.044983672810995
Energy: 1.0641785548254892
Energy: 1.044983672810995
Energy: 1.0641785548254892
Energy: 1.0449836728117845
Energy: 1.0641785548251306
Energy: 1.450800036497769
Energy: 0.9964508448879097
Energy: 1.4508000364981997
Energy: 0.9964508448883403
Energy: 1.4508000364974099
Energy: 0.9964508448879097
Energy: 0.988820254294908
Energy: 1.4670162261910566
Energy: 0.9888202542944774
Energy: 1.4670162261906978
Energy: 0.988820254294908
Energy: 1.4670162261906978
Energy: 1.0137022069348824
Energy: 0.9529236411399598
Energy: 1.013702206933734
Energy: 0.9529236411418979
Energy: 1.013702206934093
Energy: 0.9529236411431182
Energy: 0.981898246658913
Energy: 1.303556961828657
Energy: 0.9818982466593436
Energy: 1.303556961828657
Energy: 0.9818982466597025
Energy: 1.303556961828657
Energy: 1.0703590734251012
Energy: 1.4466479548373976
Energy: 1.0703590734251012
Energy: 1.4466479548373976
Energy: 1.0703590734254602
Energy: 1.4466479548373976
Energy: 1.058994628508614
Energy: 0.9970135671280006
Energy: 1.0589946285094038
Energy: 0.9970135671276417
Energy: 1.058994628508614
Energy: 0.9970135671287902
Energy: 1.0929059520741866
Energy: 1.0061022845180077
Energy: 1.0929059520757658
Energy: 1.0061022845180077
Energy: 1.092905952073756
Energy: 1.0061022845183667
Energy: 0.9684011647962777
Energy: 1.2509358350105422
Energy: 0.9684011647962777
Energy: 1.2509358350105422
Energy: 0.9684011647970673
Energy: 1.2509358350105422
Energy: 1.4429227202264463
Energy: 0.9849951462843581
Energy: 1.4429227202264463
Energy: 0.9849951462851476
Energy: 1.4429227202268051
Energy: 0.9849951462843581
Energy: 0.9891699400610263
Energy: 1.0163727012311194
Energy: 0.989169940059806
Energy: 1.0163727012326988
Energy: 0.989169940061385
Energy: 1.0163727012311194
Energy: 1.0566226947650978
Energy: 1.241049513086048
Energy: 1.0566226947666768
Energy: 1.2410495130864065
Energy: 1.0566226947638773
Energy: 1.2410495130864065
Energy: 0.9452227514883017
Energy: 1.0929900334859253
Energy: 0.9452227514879429
Energy: 1.092990033486284
Energy: 0.9452227514887326
Energy: 1.0929900334854945

minimum gb energy = 0.9187524966844014 eV
minimum distance =  2.32321857746635 Angstroms
sigma value = 67


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

Energy: 0.9716448355960641
Energy: 0.9128383667980411
Energy: 0.9716448355960641
Energy: 0.9128383667980411
Energy: 0.9716448355960641
Energy: 0.9128383667980411
Energy: 0.8764154899039172
Energy: 0.8208133723658491
Energy: 0.8764154899039172
Energy: 0.8208133723658491
Energy: 0.8764154899039172
Energy: 0.8208133723658491
Energy: 1.426752340837212
Energy: 1.2778695644423987
Energy: 1.426752340837212
Energy: 1.27786956443976
Energy: 1.426752340837212
Energy: 1.2778695644423987
Energy: 0.8763727143398211
Energy: 0.8209446172346306
Energy: 0.8763727143398211
Energy: 0.8209446172346306
Energy: 0.8763727143398211
Energy: 0.8209446172346306
Energy: 0.9716448355960641
Energy: 0.9128383667980411
Energy: 0.9716448355987025
Energy: 0.9128383667980411
Energy: 0.9716448355960641
Energy: 0.9128383667980411
Energy: 0.8764154899065558
Energy: 0.8208133723658491
Energy: 0.8764154899065558
Energy: 0.8208133723658491
Energy: 0.8764154899065558
Energy: 0.8208133723658491
Energy: 0.9110038075157093
Energy: 1.2778695644423987
Energy: 0.9110038075157093
Energy: 1.2778695644423987
Energy: 0.9110038075157093
Energy: 1.2778695644423987

minimum gb energy = 0.8208133723658491 eV
minimum distance =  2.35479825987052 Angstroms
sigma value = 3


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

Energy: 1.491944601067227
Energy: 1.0877770432537592
Energy: 1.491944601067227
Energy: 1.08777704325735
Energy: 1.491944601067227
Energy: 1.0877770432537592
Energy: 1.3405270385935248
Energy: 1.1971209261489002
Energy: 1.3405270385935248
Energy: 1.1971209261489002
Energy: 1.3405270385935248
Energy: 1.1971209261489002
Energy: 1.0854200291965355
Energy: 1.4244256471732846
Energy: 1.0854200291965355
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Energy: 1.2056836618052478
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Energy: 1.2544062612083349
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Energy: 1.3205007471597474
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Energy: 1.4041765505367438
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Energy: 1.1503776344216816
Energy: 1.072727718617399
Energy: 1.3695614254426023
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Energy: 1.3695614254461927
Energy: 1.072727718617399
Energy: 1.3695614254426023
Energy: 1.1659684388612457
Energy: 1.4707897456584011
Energy: 1.1659684388647713
Energy: 1.4707897456584011
Energy: 1.1659684388647713
Energy: 1.4707897456584011
Energy: 1.181930876969129
Energy: 1.2027415978797755
Energy: 1.1819308769655383
Energy: 1.202741597876185
Energy: 1.181930876969129
Energy: 1.202741597876185
Energy: 1.5378534153986458
Energy: 1.1629861773475934
Energy: 1.537853415395055
Energy: 1.1629861773475934
Energy: 1.5378534153986458
Energy: 1.1629861773475934
Energy: 1.0633739343389674
Energy: 1.3556045172650444
Energy: 1.0633739343389674
Energy: 1.3556045172650444
Energy: 1.0633739343389674
Energy: 1.3556045172650444
Energy: 1.2440484208756228
Energy: 1.3326969215494158
Energy: 1.2440484208720322
Energy: 1.3326969215530065
Energy: 1.2440484208720322
Energy: 1.3326969215530065
Energy: 1.440385853544093
Energy: 1.173996918963187
Energy: 1.440385853544093
Energy: 1.173996918963187
Energy: 1.440385853544093
Energy: 1.173996918963187
Energy: 1.4785609045912727
Energy: 1.1588139839022362
Energy: 1.4785609045912727
Energy: 1.1588139839022362
Energy: 1.4785609045912727
Energy: 1.1588139839022362
Energy: 1.1347150136299093
Energy: 1.3868043100821503
Energy: 1.1347150136299093
Energy: 1.3868043100821503
Energy: 1.1347150136299093
Energy: 1.3868043100821503
Energy: 1.1301907186896536
Energy: 1.2984558870281915
Energy: 1.1301907186896536
Energy: 1.2984558870317822
Energy: 1.1301907186896536
Energy: 1.2984558870281915
Energy: 1.239969056327228
Energy: 1.2090029910681923
Energy: 1.239969056327228
Energy: 1.2090029910681923
Energy: 1.239969056327228
Energy: 1.2090029910681923
Energy: 1.2998778063076046
Energy: 1.225014338316821
Energy: 1.2998778063076046
Energy: 1.2250143383132304
Energy: 1.2998778063076046
Energy: 1.225014338316821
Energy: 1.1913650557382371
Energy: 1.2763588775881816
Energy: 1.1913650557382371
Energy: 1.2763588775881816
Energy: 1.1913650557382371
Energy: 1.2763588775881816

minimum gb energy = 1.0633739343389674 eV
minimum distance =  2.25259293900998 Angstroms
sigma value = 81


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

Energy: 1.2318078861336996
Energy: 1.1715487036163625
Energy: 1.2946426407372453
Energy: 1.1715487036207979
Energy: 1.2318078861322213
Energy: 1.1715487036207979
Energy: 1.1039799326872346
Energy: 1.2628994604692103
Energy: 1.1039799326882203
Energy: 1.2628994604711816
Energy: 1.1039799326877275
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Energy: 1.3972843955322163
Energy: 1.0359990508072112
Energy: 1.362651454249302
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Energy: 1.0359990508106611
Energy: 1.1191537536273661
Energy: 1.2459572663054994
Energy: 1.1191537536278588
Energy: 1.2459572663045138
Energy: 1.1191537536293372
Energy: 1.2459572663050065
Energy: 1.1403012371242707
Energy: 1.0980617438210982
Energy: 1.140301237123778
Energy: 1.0980617438196199
Energy: 1.140301237123285
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Energy: 1.078294239240531
Energy: 1.036561851654331
Energy: 1.0782942392420094
Energy: 1.0365618516538382
Energy: 1.078294239240038
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Energy: 1.1452057298617306
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Energy: 1.145205729862716
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Energy: 1.0377995305438799
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Energy: 1.124966705940038
Energy: 1.0377995305453582
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Energy: 1.1540241133425486
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Energy: 1.1540241133400846
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Energy: 1.1707527315016761
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Energy: 1.1452037065751308
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Energy: 1.0794030418709037
Energy: 1.03571910282691
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Energy: 1.0980696353974047
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Energy: 1.0358602448217853
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Energy: 1.0207979605835833
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Energy: 1.1025441317413953
Energy: 1.1492039463148913
Energy: 1.200139027666587
Energy: 1.3044256131342387
Energy: 1.200139027666587
Energy: 1.3044256131327603
Energy: 1.20013902766708
Energy: 1.3044256131322673
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Energy: 1.3964831065912888
Energy: 1.0381034339905257
Energy: 1.396483106590796
Energy: 1.0381034339890474
Energy: 1.396483106590796
Energy: 1.0720840751210186
Energy: 1.1185554721258313
Energy: 1.072084075122497
Energy: 1.118555472124353
Energy: 1.072084075122497
Energy: 1.1185554721248456
Energy: 1.1724189399323306
Energy: 1.1732294995727481
Energy: 1.1724189399323306
Energy: 1.1732294995722554
Energy: 1.172418939934302
Energy: 1.1732294995717625
Energy: 1.1422331045535623
Energy: 1.0992645554543814
Energy: 1.1422235521253776
Energy: 1.099264555455367
Energy: 1.1422331045535623
Energy: 1.099264555455367
Energy: 1.0364122740646835
Energy: 1.2046860033742655
Energy: 1.036412274060741
Energy: 1.2046860033782079
Energy: 1.0364122740661623
Energy: 1.2046860033777151
Energy: 1.2475675827972845
Energy: 1.4478108077950875
Energy: 1.247567582798763
Energy: 1.4478108077936092
Energy: 1.2475675827992558
Energy: 1.447810807794102
Energy: 1.0981006631025427
Energy: 1.1492005700895076
Energy: 1.0981006631030357
Energy: 1.1492005700890149
Energy: 1.098100663101557
Energy: 1.1492005700895076
Energy: 1.03563471650652
Energy: 1.229365125194066
Energy: 1.0356347165060273
Energy: 1.2293651251950517
Energy: 1.03563471650652
Energy: 1.2293651251950517
Energy: 1.0374364135320688
Energy: 1.0200523432096256
Energy: 1.0374364135300973
Energy: 1.020052343211104
Energy: 1.0374364135300973
Energy: 1.0200523432115967
Energy: 1.2939342897146267
Energy: 1.586371058991839
Energy: 1.2939469147509426
Energy: 1.5863710589898676
Energy: 1.293934289713641
Energy: 1.5863710589903603
Energy: 1.328079536380834
Energy: 1.3801709895975476
Energy: 1.3280795363813267
Energy: 1.380170989596562
Energy: 1.328079536379848
Energy: 1.380170989596562
Energy: 1.1422933323158908
Energy: 1.2388541297295255
Energy: 1.142293332315398
Energy: 1.2388541297275542
Energy: 1.1422933323158908
Energy: 1.238854129728047
Energy: 1.0830773998115535
Energy: 1.0360828828509407
Energy: 1.0830773998120462
Energy: 1.0360828828538975
Energy: 1.0830773998110605
Energy: 1.036082882852912

minimum gb energy = 1.0200523432096256 eV
minimum distance =  2.36917339848412 Angstroms
sigma value = 43


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

Energy: 1.458596464789426
Energy: 1.1322998859934639
Energy: 1.458596464789426
Energy: 1.1322998859934639
Energy: 1.458596464789426
Energy: 1.1322998859934639
Energy: 1.3729707674519638
Energy: 1.0704061839514138
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Energy: 1.0704061839514138
Energy: 1.3729707674519638
Energy: 1.0704061839514138
Energy: 1.1779219973042545
Energy: 1.4060873004224903
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Energy: 1.1834149522128041
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Energy: 1.0520762366243337
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Energy: 1.187106106590413
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Energy: 1.2876114352337806
Energy: 1.1911386845685514
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Energy: 1.1911386845679461
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Energy: 1.1911386845685514
Energy: 1.1995328543940915
Energy: 1.2483262009238993
Energy: 1.1995328543953023
Energy: 1.2483262009245044
Energy: 1.199532854394697
Energy: 1.2483262009238993
Energy: 1.3499672494700634
Energy: 1.2685233597465746
Energy: 1.3499672494706687
Energy: 1.2685233597465746
Energy: 1.3499672494700634
Energy: 1.2685233597459695
Energy: 1.280228553069119
Energy: 1.2402319931557184
Energy: 1.2802285530685136
Energy: 1.2402319931557184
Energy: 1.2802285530685136
Energy: 1.2402319931557184
Energy: 1.1941382653818757
Energy: 1.2108671949123644
Energy: 1.1941382653818757
Energy: 1.2108671949129697
Energy: 1.1941382653824808
Energy: 1.2108671949123644
Energy: 1.2868473089468966
Energy: 1.2298820982978773
Energy: 1.2868473089468966
Energy: 1.2298820982978773
Energy: 1.2868473089468966
Energy: 1.2298820982984826
Energy: 1.2773245307854186
Energy: 1.1800876509076847
Energy: 1.2773245307866294
Energy: 1.1800876509076847
Energy: 1.2773245307854186
Energy: 1.1800876509076847
Energy: 1.0558560906762584
Energy: 1.284807158191231
Energy: 1.055856090677469
Energy: 1.2848071581900202
Energy: 1.0558560906762584
Energy: 1.284807158191231
Energy: 1.2048870084376055
Energy: 1.4176907761893354
Energy: 1.204887008438211
Energy: 1.41769077618873
Energy: 1.204887008438211
Energy: 1.41769077618873
Energy: 1.231894758395866
Energy: 1.253048505047146
Energy: 1.2318947583952606
Energy: 1.253048505047146
Energy: 1.231894758395866
Energy: 1.253048505047146
Energy: 1.3605593169221855
Energy: 1.2230269490131416
Energy: 1.3605593169221855
Energy: 1.2230269490131416
Energy: 1.3605593169221855
Energy: 1.2230269490131416
Energy: 1.2697245433100877
Energy: 1.3229585590311979
Energy: 1.2697245433100877
Energy: 1.3229585590311979
Energy: 1.2697245433094824
Energy: 1.3229585590305923
Energy: 1.3207690045542855
Energy: 1.1500682565101565
Energy: 1.3207690045542855
Energy: 1.1500682565101565
Energy: 1.3207690045542855
Energy: 1.1500682565101565
Energy: 1.2324286909446291
Energy: 1.1862879627791219
Energy: 1.2324286909440239
Energy: 1.1862879627785163
Energy: 1.2324286909440239
Energy: 1.1862879627785163
Energy: 1.2778971979509042
Energy: 1.2996197733910928
Energy: 1.2778971979515095
Energy: 1.2996197733910928
Energy: 1.2778971979509042
Energy: 1.2996197733916983
Energy: 1.2242449755197498
Energy: 1.1689345574618701
Energy: 1.2242449755191442
Energy: 1.1689345574618701
Energy: 1.2242449755197498
Energy: 1.1689345574612646

minimum gb energy = 1.052076236623123 eV
minimum distance =  2.33910552425234 Angstroms
sigma value = 57


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

Energy: 1.3087715253361134
Energy: 1.1394056333842937
Energy: 1.2422265276854547
Energy: 1.1394056333835099
Energy: 1.3087715253368972
Energy: 1.1394056333835099
Energy: 1.2345824134515708
Energy: 1.250129880988086
Energy: 1.2345824134515708
Energy: 1.2501298809873023
Energy: 1.2345824134507875
Energy: 1.2501298809873023
Energy: 1.3025422583553412
Energy: 1.2644126772119988
Energy: 1.25067892714365
Energy: 1.2644126772127826
Energy: 1.3025422583545574
Energy: 1.2644126772127826
Energy: 1.528073809797993
Energy: 1.289041404065497
Energy: 1.5280738097987767
Energy: 1.2890414040647131
Energy: 1.5280738097925064
Energy: 1.2890414040647131
Energy: 1.5282633140171404
Energy: 1.3165146053315424
Energy: 1.528263314016357
Energy: 1.3165146053323258
Energy: 1.528263314016357
Energy: 1.3165146053323258
Energy: 1.279917600471139
Energy: 1.234688243542319
Energy: 1.2799176004719228
Energy: 1.2371055519113463
Energy: 1.2799176004719228
Energy: 1.2346882435407514
Energy: 1.3031748935290026
Energy: 1.4076647769891173
Energy: 1.3031748935290026
Energy: 1.4076647769883335
Energy: 1.3031748935282188
Energy: 1.4076647769891173
Energy: 1.2441337845023506
Energy: 1.1408866878089048
Energy: 1.2441337845015665
Energy: 1.140886687808121
Energy: 1.2441337844999991
Energy: 1.140886687808121
Energy: 1.430098835087343
Energy: 1.2446108604713157
Energy: 1.4300988350881265
Energy: 1.2446108604728834
Energy: 1.4300988350889103
Energy: 1.2446108604736672
Energy: 1.05841341379747
Energy: 1.1813204498282865
Energy: 1.058588277332375
Energy: 1.1813204498275027
Energy: 1.0584134137951187
Energy: 1.1813204498282865
Energy: 1.1874313434976829
Energy: 1.5038490048652904
Energy: 1.1874313434984665
Energy: 1.5038490048660742
Energy: 1.1874313434992503
Energy: 1.5038490048660742
Energy: 1.404415683473878
Energy: 1.336251213394576
Energy: 1.404415683473094
Energy: 1.33625121339536
Energy: 1.404415683473878
Energy: 1.33625121339536
Energy: 1.2107631816245341
Energy: 1.187820346237525
Energy: 1.2107631816261017
Energy: 1.1878203462359573
Energy: 1.210763181625318
Energy: 1.1878203462359573
Energy: 1.3014370722948276
Energy: 1.141854983712965
Energy: 1.2922501167175946
Energy: 1.1418549837145324
Energy: 1.3014370722932602
Energy: 1.1418549837153162
Energy: 1.3796855193372173
Energy: 1.2523880112022303
Energy: 1.2898649464664893
Energy: 1.2523880112030144
Energy: 1.3796855193364337
Energy: 1.2523880112030144
Energy: 1.249155443663186
Energy: 1.1874454770492686
Energy: 1.2491554436624022
Energy: 1.1874454770469527
Energy: 1.249155443663186
Energy: 1.1874454770469527
Energy: 1.0583089090614675
Energy: 1.1568657357493923
Energy: 1.058344417635533
Energy: 1.156865735750176
Energy: 1.0583089090622515
Energy: 1.1568657357493923
Energy: 1.1872424026085586
Energy: 1.2287774564685683
Energy: 1.1872424026085586
Energy: 1.0835176609502553
Energy: 1.1872424026085586
Energy: 1.2287774564685683
Energy: 1.0584936437369414
Energy: 1.2305635084867308
Energy: 1.0584936437369414
Energy: 1.2305635084859468
Energy: 1.0584936437361576
Energy: 1.2305635084859468
Energy: 1.3809561732123246
Energy: 1.1874310442349425
Energy: 1.3809561732123246
Energy: 1.1874310442349425
Energy: 1.380956173213892
Energy: 1.1874310442349425
Energy: 1.2899172263002403
Energy: 1.1389719275014065
Energy: 1.2899172263010241
Energy: 1.138971927502974
Energy: 1.289917226301808
Energy: 1.138971927502974
Energy: 1.2746712669448192
Energy: 1.3097172800134893
Energy: 1.2746712669448192
Energy: 1.309717280014273
Energy: 1.274671266945603
Energy: 1.309717280014273
Energy: 1.3029158775857328
Energy: 1.1897227233581424
Energy: 1.3030374619607386
Energy: 1.1897227233581424
Energy: 1.302915877584949
Energy: 1.1897227233581424
Energy: 1.3943419619691808
Energy: 1.2837015837001564
Energy: 1.3943814499674874
Energy: 1.283701583698589
Energy: 1.3943419619707484
Energy: 1.2837015836978052

minimum gb energy = 1.0583089090614675 eV
minimum distance =  2.27297773306836 Angstroms
sigma value = 17


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

Energy: 1.1935212707624259
Energy: 1.0740623683189254
Energy: 1.1935212707624259
Energy: 1.0740623683189254
Energy: 1.1935212707624259
Energy: 1.0740623683200337
Energy: 1.178833422205862
Energy: 1.2587988353335904
Energy: 1.178833422205862
Energy: 1.2587988353335904
Energy: 1.1788334222047536
Energy: 1.258798835332482
Energy: 1.1183808322244055
Energy: 1.1717795799483985
Energy: 1.1183808322244055
Energy: 1.1717795799483985
Energy: 1.1183808322244055
Energy: 1.1717795799483985
Energy: 1.0931146717858424
Energy: 1.3275883225968428
Energy: 1.0931146717858424
Energy: 1.3275883225957343
Energy: 1.093114671786951
Energy: 1.3275883225957343
Energy: 1.2988702073634577
Energy: 1.3007784398196978
Energy: 1.2988702073634577
Energy: 1.3007784398196978
Energy: 1.2988702073634577
Energy: 1.3007784398196978
Energy: 1.2917480590024761
Energy: 1.17334336944797
Energy: 1.2917480590024761
Energy: 1.17334336944797
Energy: 1.2917480590024761
Energy: 1.17334336944797
Energy: 1.1653259365958912
Energy: 1.1917428123052365
Energy: 1.1653259365958912
Energy: 1.1917428123052365
Energy: 1.1653259365969997
Energy: 1.1917428123052365
Energy: 1.0929457069957056
Energy: 1.294515513468721
Energy: 1.0929457069968136
Energy: 1.2945155134676125
Energy: 1.0929457069968136
Energy: 1.2945155134676125
Energy: 1.0862919231421475
Energy: 1.213875494415204
Energy: 1.0862919231421475
Energy: 1.213875494415204
Energy: 1.0862919231421475
Energy: 1.2138754944140955
Energy: 1.2610483197493179
Energy: 1.2477035611954328
Energy: 1.2610483197493179
Energy: 1.2477035611943241
Energy: 1.2610483197493179
Energy: 1.2477035611943241
Energy: 1.258385022181421
Energy: 1.1648255604544042
Energy: 1.2583850221803126
Energy: 1.1648255604544042
Energy: 1.2583850221803126
Energy: 1.1648255604544042
Energy: 1.1231929571331098
Energy: 1.3360885840288292
Energy: 1.1231929571320014
Energy: 1.3360885840288292
Energy: 1.1231929571331098
Energy: 1.3360885840288292
Energy: 0.9537411025273088
Energy: 1.1712730251433585
Energy: 0.9537411025284173
Energy: 1.17127302514225
Energy: 0.9537411025284173
Energy: 1.1712730251433585
Energy: 1.0849960489792918
Energy: 1.115877917830726
Energy: 1.0849960489781836
Energy: 1.115877917830726
Energy: 1.0849960489792918
Energy: 1.115877917830726
Energy: 1.2767477679004613
Energy: 1.3097973369107232
Energy: 1.2767477679004613
Energy: 1.3097973369107232
Energy: 1.2767477679004613
Energy: 1.3097973369107232
Energy: 1.067304444989232
Energy: 1.4738399065315297
Energy: 1.067304444989232
Energy: 1.4738399065315297
Energy: 1.067304444989232
Energy: 1.4738399065315297
Energy: 1.0772137306290155
Energy: 1.1153628483191427
Energy: 1.0772137306290155
Energy: 1.1153628483180344
Energy: 1.0772137306290155
Energy: 1.1153628483180344

minimum gb energy = 0.9537411025273088 eV
minimum distance =  2.31179334209805 Angstroms
sigma value = 17


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

Energy: 1.381183015735304
Energy: 0.9772810916061513
Energy: 1.381183015735732
Energy: 0.9772810916065795
Energy: 1.381183015735304
Energy: 0.9772810916065795
Energy: 1.1475217924451766
Energy: 1.1564814608869185
Energy: 1.1475217924464607
Energy: 1.0459286672680963
Energy: 1.1475217924456043
Energy: 1.1564814608886307
Energy: 1.0419478893912093
Energy: 1.1225062859548074
Energy: 1.041947889390353
Energy: 1.1225062859556636
Energy: 1.0419478893907814
Energy: 1.1225062859552353
Energy: 1.2485779117626399
Energy: 1.0486785579383489
Energy: 1.248577911761784
Energy: 1.0486785579383489
Energy: 1.248577911761784
Energy: 1.0486785579383489
Energy: 1.3334683052141798
Energy: 1.1138007191411272
Energy: 1.3334683052133238
Energy: 1.1138007191406991
Energy: 1.3334683052137517
Energy: 1.1138007191406991
Energy: 1.0091764463031037
Energy: 1.0190171299971027
Energy: 1.0091764463035318
Energy: 0.9858374699448762
Energy: 1.0091764463022477
Energy: 1.0190171300000987
Energy: 1.123029165931296
Energy: 1.1461665524949987
Energy: 1.123029165931296
Energy: 1.146166552494571
Energy: 1.123029165931296
Energy: 1.146166552494571
Energy: 1.2279456506855038
Energy: 1.2147042543397768
Energy: 1.2279456506846478
Energy: 1.2147042543389206
Energy: 1.2279456506855038
Energy: 1.2147042543389206
Energy: 1.1497680053132722
Energy: 1.1675098560938637
Energy: 1.1497680053149846
Energy: 1.1675098560938637
Energy: 1.1497680053141284
Energy: 1.167509856093436
Energy: 1.1236773604650196
Energy: 0.8931100651011116
Energy: 1.1236773604637356
Energy: 0.8931100651011116
Energy: 1.1236773604645918
Energy: 0.8931100651015397
Energy: 1.2481453792838177
Energy: 1.181503555890764
Energy: 1.2481453792842458
Energy: 1.181503555890764
Energy: 1.2481453792838177
Energy: 1.181503555891192
Energy: 1.050321048468209
Energy: 1.278249818299986
Energy: 1.050321048468637
Energy: 1.2782498183004138
Energy: 1.050321048467781
Energy: 1.2782498183004138
Energy: 1.1722384585650394
Energy: 1.148106556043068
Energy: 1.1722384585650394
Energy: 1.14810655604264
Energy: 1.1722384585650394
Energy: 1.148106556043068
Energy: 0.9818642096177305
Energy: 1.0857417789246253
Energy: 0.9818642096194424
Energy: 1.0857417789246253
Energy: 0.9818642096181583
Energy: 1.0857417789246253
Energy: 1.173475878226303
Energy: 1.2930876250087149
Energy: 1.1734758782267314
Energy: 1.2930876250087149
Energy: 1.1734758782258752
Energy: 1.2930876250091428
Energy: 1.1156665539665358
Energy: 1.1462628556696923
Energy: 1.1156665539678199
Energy: 1.1462628556705485
Energy: 1.1156665539665358
Energy: 1.1462628556701204
Energy: 0.995211171751133
Energy: 0.998461498881237
Energy: 0.9952111717502768
Energy: 0.998461498880809
Energy: 0.9952111717507051
Energy: 0.998461498881237
Energy: 1.0204383752875539
Energy: 1.2313887465669706
Energy: 1.0204383752640123
Energy: 1.2313887465669706
Energy: 1.0204383752652963
Energy: 1.2313887465669706
Energy: 1.0669048162165484
Energy: 1.345673972617583
Energy: 1.0669048162178325
Energy: 1.345673972618439
Energy: 1.0669048162165484
Energy: 1.3456739726180111
Energy: 0.9940743942800822
Energy: 1.054549373198706
Energy: 0.9940743942800822
Energy: 1.054549373198706
Energy: 0.9940743942796542
Energy: 1.054549373198706
Energy: 1.0642292243004092
Energy: 1.345972802090193
Energy: 1.0642292243012652
Energy: 1.345972802090193
Energy: 1.064229224295701
Energy: 1.345972802090193
Energy: 1.0198792820983784
Energy: 1.231359114855166
Energy: 1.0198792820953824
Energy: 1.231359114855166
Energy: 1.0198792820923859
Energy: 1.231359114855166
Energy: 0.9953319104898435
Energy: 0.9981639598602471
Energy: 0.9953319104911276
Energy: 0.9981639598602471
Energy: 0.9953319104902716
Energy: 0.9981639598606752
Energy: 1.1153992414089875
Energy: 1.240388174441516
Energy: 1.1153992414098435
Energy: 1.240388174441516
Energy: 1.1153992414089875
Energy: 1.240388174441944
Energy: 1.1735740658231308
Energy: 1.292926756147287
Energy: 1.1735740658222746
Energy: 1.292926756147287
Energy: 1.1735740658227027
Energy: 1.292926756147287
Energy: 0.9816470578750178
Energy: 1.0857113901638429
Energy: 0.981647057875446
Energy: 1.0857113901638429
Energy: 0.9816470578750178
Energy: 1.0857113901638429
Energy: 1.1726180418864822
Energy: 1.1484945906328954
Energy: 1.1726180418873386
Energy: 1.1484945906328954
Energy: 1.1726180418869105
Energy: 1.1484945906328954
Energy: 1.0503117530991624
Energy: 1.2783881368598
Energy: 1.0503117530991624
Energy: 1.2783881368602281
Energy: 1.0503117530987343
Energy: 1.2783881368593721
Energy: 1.2484116784677737
Energy: 1.181735011657305
Energy: 1.248411678468202
Energy: 1.181735011657305
Energy: 1.2484116784686299
Energy: 1.181735011657305
Energy: 1.1236088583115853
Energy: 0.8927870233203364
Energy: 1.1236088583115853
Energy: 0.8927870233211924
Energy: 1.1236088583115853
Energy: 0.8927870233211924
Energy: 1.150357006264143
Energy: 1.1671121633342056
Energy: 1.1503570062649995
Energy: 1.1671121633337778
Energy: 1.150357006264143
Energy: 1.1671121633342056
Energy: 1.2277526441453745
Energy: 1.2148134809037323
Energy: 1.2277526441445183
Energy: 1.2148134809028763
Energy: 1.2277526441449464
Energy: 1.2148134809041604
Energy: 1.1229266367586843
Energy: 1.1462258887679762
Energy: 1.1229266367578281
Energy: 1.1462258887679762
Energy: 1.12292663675526
Energy: 1.1462258887675483
Energy: 1.0092191035453308
Energy: 0.95067599463584
Energy: 1.0092191035449027
Energy: 0.950675994635412
Energy: 1.0092191035453308
Energy: 0.95067599463584
Energy: 1.333704879042031
Energy: 1.1137816926925292
Energy: 1.3337048790424588
Energy: 1.1137816926925292
Energy: 1.3337048790416028
Energy: 1.1137816926925292
Energy: 1.2482547389948846
Energy: 1.1563307947173869
Energy: 1.2482547389936003
Energy: 1.1563307947173869
Energy: 1.2482547389948846
Energy: 1.1563307947173869
Energy: 1.0417824698919795
Energy: 1.1221208349235086
Energy: 1.0417824698928355
Energy: 1.1221208349239367
Energy: 1.0417824698919795
Energy: 1.1221208349235086
Energy: 1.145362131153956
Energy: 0.9409852308044478
Energy: 1.14536213115524
Energy: 0.9409852308040199
Energy: 1.145362131154384
Energy: 0.9409852308031638
Energy: 1.381183015735732
Energy: 0.9772810916082917
Energy: 1.381183015735304
Energy: 0.9772810916087196
Energy: 1.381183015735732
Energy: 0.9772810916082917
Energy: 1.1475217924447483
Energy: 1.1538987389594317
Energy: 1.1475217924447483
Energy: 1.1538987389594317
Energy: 1.1475217924447483
Energy: 1.1538987389594317
Energy: 1.0419478893920655
Energy: 1.1225062859543795
Energy: 1.0419478893916374
Energy: 1.1225062859539514
Energy: 1.0419478893916374
Energy: 1.1225062859543795
Energy: 1.248577911763068
Energy: 0.9986862162685798
Energy: 1.248577911763924
Energy: 0.9986862162685798
Energy: 1.248577911763068
Energy: 0.9986862162672956
Energy: 1.3334683052146077
Energy: 1.1138007191411272
Energy: 1.3334683052141798
Energy: 1.113800719141555
Energy: 1.3334683052141798
Energy: 1.1138007191419832

minimum gb energy = 0.8927870233203364 eV
minimum distance =  2.27832435939821 Angstroms
sigma value = 57


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

Energy: 1.3251505812574127
Energy: 1.1591333731233529
Energy: 1.3251505812588065
Energy: 1.1591333731233529
Energy: 1.3251505812588065
Energy: 1.1591333731226556
Energy: 1.0375791428291947
Energy: 1.0479004621442858
Energy: 1.0375791428291947
Energy: 1.0479004621449828
Energy: 1.0375791428298915
Energy: 1.0479004621442858
Energy: 1.0132317958050852
Energy: 1.0460612755382432
Energy: 1.0132317958071761
Energy: 1.0460612755382432
Energy: 1.013231795807873
Energy: 1.0460612755382432
Energy: 1.189203885295977
Energy: 0.9531201388593791
Energy: 1.1892038852952802
Energy: 0.9531201388593791
Energy: 1.189203885295977
Energy: 0.9531201388586822
Energy: 1.212373443875605
Energy: 0.9926530229962888
Energy: 1.2123734438742113
Energy: 0.9926530229962888
Energy: 1.212373443876302
Energy: 0.9926530229969859
Energy: 0.949675636136345
Energy: 0.8861754590738955
Energy: 0.9496756361356479
Energy: 0.8861754590759864
Energy: 0.9496756361356479
Energy: 0.886175459072565
Energy: 1.1576166865783233
Energy: 1.0546782256355447
Energy: 1.1576166865790203
Energy: 1.0546782256362417
Energy: 1.1576166865783233
Energy: 1.0546782256362417
Energy: 1.1285496984226795
Energy: 1.1368189217688727
Energy: 1.1285496984233765
Energy: 1.1368189217688727
Energy: 1.1285496984233765
Energy: 1.1368189217688727
Energy: 1.0209118014095404
Energy: 1.0071362587087342
Energy: 1.0209118014102372
Energy: 1.0071362587087342
Energy: 1.0209118014102372
Energy: 1.0071362587094315
Energy: 1.0359690519466382
Energy: 1.0270535730913841
Energy: 1.0359690519473352
Energy: 1.0270535730913841
Energy: 1.0359690519459412
Energy: 1.0270535730913841
Energy: 1.1570508162776265
Energy: 1.1345626823481918
Energy: 1.1570508162776265
Energy: 1.1345626823488886
Energy: 1.1570508162776265
Energy: 1.1345626823481918
Energy: 0.9178622612313574
Energy: 1.1569970721451446
Energy: 0.9178622612313574
Energy: 1.1569970721444476
Energy: 0.9178622612313574
Energy: 1.1569970721444476
Energy: 1.03671732529272
Energy: 1.0066008229992776
Energy: 1.036717325291326
Energy: 1.0066008229985808
Energy: 1.03671732529272
Energy: 1.0066008229992776
Energy: 1.1419959868186216
Energy: 1.0699607159210098
Energy: 1.1419959868186216
Energy: 1.0699607159217068
Energy: 1.1419959868193184
Energy: 1.0699607159217068
Energy: 0.9651577103415241
Energy: 1.2195860203040974
Energy: 0.9651577103429181
Energy: 1.2195860203040974
Energy: 0.9651577103429181
Energy: 1.2195860203047946
Energy: 1.076531562023817
Energy: 1.0471328872645866
Energy: 1.076531562023817
Energy: 1.0471328872652836
Energy: 1.076531562024514
Energy: 1.0471328872652836
Energy: 1.2112352643692232
Energy: 1.0277565842835272
Energy: 1.2112352643692232
Energy: 1.0277565842835272
Energy: 1.2112352643692232
Energy: 1.0277565842835272
Energy: 1.0832637589204737
Energy: 1.2492090008525731
Energy: 1.0832637589197769
Energy: 1.2492090008518761
Energy: 1.0832637589204737
Energy: 1.2492090008518761
Energy: 1.0444856403092777
Energy: 1.0877715155266443
Energy: 1.0444856403092777
Energy: 1.0877715155259475
Energy: 1.0444856403092777
Energy: 1.0877715155266443
Energy: 1.1754610437610242
Energy: 0.9539100532165291
Energy: 1.1754610437603272
Energy: 0.9539100532165291
Energy: 1.1754610437610242
Energy: 0.9539100532165291
Energy: 1.056155149507214
Energy: 1.1756800984412927
Energy: 1.056155149505123
Energy: 1.1756800984412927
Energy: 1.056155149506517
Energy: 1.1756800984412927
Energy: 0.9677162254952266
Energy: 1.2484790538996065
Energy: 0.9677162254945295
Energy: 1.2484790538989097
Energy: 0.9677162254945295
Energy: 1.2484790538989097
Energy: 0.9249075170826541
Energy: 0.9151675997214492
Energy: 0.9249075170826541
Energy: 0.9151675997214492
Energy: 0.9249075170826541
Energy: 0.9151675997221461
Energy: 1.0358898323488035
Energy: 1.2702998916393824
Energy: 1.0358898323488035
Energy: 1.2702998916393824
Energy: 1.0358898323495005
Energy: 1.2702998916400794
Energy: 1.0731147190830368
Energy: 1.154679542666173
Energy: 1.073114719080249
Energy: 1.154679542666173
Energy: 1.073114719080249
Energy: 1.1546795426654757
Energy: 1.0343650770667456
Energy: 0.9150753436771055
Energy: 1.0343650770667456
Energy: 0.9150753436771055
Energy: 1.0343650770660486
Energy: 0.9150753436771055
Energy: 0.9806694697126191
Energy: 1.0875575273120086
Energy: 0.9806694697119224
Energy: 1.0875575273113114
Energy: 0.9806694697133163
Energy: 1.0875575273113114

minimum gb energy = 0.886175459072565 eV
minimum distance =  2.28213675907554 Angstroms
sigma value = 43


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

Energy: 1.255199207016036
Energy: 1.0128600670826136
Energy: 1.255199207016036
Energy: 1.0128600670826136
Energy: 1.255199207016036
Energy: 1.012860067082106
Energy: 0.9173605755173964
Energy: 0.9502247676913138
Energy: 0.9173605755168884
Energy: 0.9502247676923293
Energy: 0.9173605755168884
Energy: 0.950224767692837
Energy: 0.8636930756115462
Energy: 0.9504739075384456
Energy: 0.8636930756115462
Energy: 0.9504739075389533
Energy: 0.8636930756120539
Energy: 0.9504739075379378
Energy: 1.1573374296669146
Energy: 0.8539562177610879
Energy: 1.1573374296669146
Energy: 0.8539562177605801
Energy: 1.157337429666407
Energy: 0.8539562177605801
Energy: 1.0367177251839104
Energy: 1.0198875537605505
Energy: 1.0367177251839104
Energy: 1.0198875537605505
Energy: 1.0367177251839104
Energy: 1.0198875537605505
Energy: 0.8299262813816821
Energy: 0.898048772287191
Energy: 0.8299262813821898
Energy: 0.8980487722876987
Energy: 0.8299262813816821
Energy: 0.8980487722882067
Energy: 1.045788943024455
Energy: 0.8950853844206903
Energy: 1.0457889430239469
Energy: 0.8950853844206903
Energy: 1.0457889430239469
Energy: 0.8950853844206903
Energy: 1.070006135523654
Energy: 1.0000612815144792
Energy: 1.0700061355231463
Energy: 1.0000612815144792
Energy: 1.0700061355231463
Energy: 1.0000612815144792
Energy: 0.7919654381759184
Energy: 0.8881501752712924
Energy: 0.7919654381759184
Energy: 0.8881501752712924
Energy: 0.7919654381764262
Energy: 0.8881501752718001
Energy: 1.1117489052000784
Energy: 0.8655858564167157
Energy: 1.111748905198555
Energy: 0.8655858564167157
Energy: 1.1117489052000784
Energy: 0.8655858564167157
Energy: 0.9888385688203165
Energy: 0.9556664470031866
Energy: 0.9888385688203165
Energy: 0.9556664470031866
Energy: 0.9888385688203165
Energy: 0.9556664470031866
Energy: 0.760207795058755
Energy: 0.8868984307189218
Energy: 0.7602077950592628
Energy: 0.8868984307189218
Energy: 0.760207795058755
Energy: 0.8868984307194295
Energy: 0.9116599079060921
Energy: 0.7508339779156938
Energy: 0.9116599079050764
Energy: 0.7508339779167095
Energy: 0.9116599079050764
Energy: 0.7508339779162015
Energy: 1.0113856317596952
Energy: 0.9982098796002374
Energy: 1.0113856317596952
Energy: 0.9982098795997297
Energy: 1.0113856317596952
Energy: 0.9982098795997297
Energy: 0.8586358710054549
Energy: 0.8866735856372091
Energy: 0.8586358710049472
Energy: 0.8866735856367012
Energy: 0.8586358710054549
Energy: 0.8866735856372091
Energy: 0.9369465484033287
Energy: 0.8238950902624795
Energy: 0.9369465484028209
Energy: 0.8238950902619717
Energy: 0.9369465484028209
Energy: 0.8238950902624795
Energy: 0.9999690375466779
Energy: 0.9947551937057574
Energy: 0.9999690375466779
Energy: 0.9947551937052497
Energy: 0.9999690375471856
Energy: 0.9947551937057574
Energy: 0.8002834421603837
Energy: 1.0687112401064451
Energy: 0.8002834421613992
Energy: 1.0687112401064451
Energy: 0.8002834421613992
Energy: 1.068711240106953
Energy: 0.8977613833111528
Energy: 0.8781376046520915
Energy: 0.8977613833111528
Energy: 0.8781376046520915
Energy: 0.8977613833111528
Energy: 0.8781376046525993
Energy: 1.0613032549439425
Energy: 1.0045852131730897
Energy: 1.0613032549434347
Energy: 1.0045852131735973
Energy: 1.0613032549444503
Energy: 1.0045852131730897
Energy: 0.8731988671782983
Energy: 1.1353793535600347
Energy: 0.8731988671782983
Energy: 1.1353793535595267
Energy: 0.8731988671777906
Energy: 1.1353793535595267
Energy: 0.9591950771282565
Energy: 0.9223939081215797
Energy: 0.9591950771287643
Energy: 0.9223939081215797
Energy: 0.9591950771282565
Energy: 0.9223939081215797
Energy: 1.087759033715132
Energy: 0.8970209787626856
Energy: 1.0877590337146241
Energy: 0.8970209787626856
Energy: 1.0877590337156398
Energy: 0.8970209787626856
Energy: 0.9309117421426869
Energy: 1.2150705277865443
Energy: 0.9309117421442104
Energy: 1.2150705277865443
Energy: 0.9309117421431946
Energy: 1.2150705277865443
Energy: 0.9071504860506991
Energy: 0.9231130327142114
Energy: 0.9071504860501913
Energy: 0.9231130327137036
Energy: 0.9071504860501913
Energy: 0.9231130327142114
Energy: 1.01835065316231
Energy: 0.8425998838340152
Energy: 1.01835065316231
Energy: 0.8425998838335075
Energy: 1.01835065316231
Energy: 0.8425998838335075
Energy: 0.8425381380030694
Energy: 1.1280789661467538
Energy: 0.8383482357384899
Energy: 1.1280789661467538
Energy: 0.8383482357384899
Energy: 1.1280789661467538
Energy: 0.8775548626045311
Energy: 1.0413173150756339
Energy: 0.8775548626040234
Energy: 1.0413173150761417
Energy: 0.877554862605039
Energy: 1.0413173150761417
Energy: 0.8809942708432776
Energy: 0.7898295329521448
Energy: 0.8809942708432776
Energy: 0.7898295329521448
Energy: 0.880994270842262
Energy: 0.7898295329521448
Energy: 0.8585411832464267
Energy: 1.0250415674353637
Energy: 0.8585411832459188
Energy: 1.0250415674358713
Energy: 0.8585411832469344
Energy: 1.0250415674353637
Energy: 0.8473287000613441
Energy: 1.0766427333812154
Energy: 0.8473287000618519
Energy: 1.0766427333812154
Energy: 0.8473287000613441
Energy: 1.0766427333812154
Energy: 0.8810013157832012
Energy: 0.7668897859389645
Energy: 0.881001315783709
Energy: 0.7668897859389645
Energy: 0.881001315783709
Energy: 0.7668897859384568
Energy: 0.7592853351588417
Energy: 1.0881815056676922
Energy: 0.759285335157826
Energy: 1.0881815056687079
Energy: 0.7592853351583337
Energy: 1.088181505670231
Energy: 0.9942357044983862
Energy: 1.0047664708352162
Energy: 0.9942357044978785
Energy: 1.0047664708352162
Energy: 0.9942357044978785
Energy: 1.0047664708352162
Energy: 0.8798686329705709
Energy: 0.8414900097013711
Energy: 0.8798686329705709
Energy: 0.8414900097008634
Energy: 0.879868632970063
Energy: 0.8414900097008634
Energy: 0.7944532844768841
Energy: 0.8806592725327818
Energy: 0.7944532844768841
Energy: 0.8806592725327818
Energy: 0.7944532844763763
Energy: 0.8806592725322739

minimum gb energy = 0.7508339779156938 eV
minimum distance =  2.28142402457003 Angstroms
sigma value = 81


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

Energy: 0.26031582251713387
Energy: 0.31659101632441067
Energy: 0.05215832880486653
Energy: 0.31659101632441067
Energy: 0.26031582251713387
Energy: 0.31659101632254494
Energy: 0.7753511185555291
Energy: 0.05386600963288071
Energy: 0.7753511185573948
Energy: 0.05386600959933951
Energy: 0.7753511185573948
Energy: 0.05386600964034374
Energy: 0.810463341999071
Energy: 0.05297677251790411
Energy: 0.810463341999071
Energy: 0.05297677251790411
Energy: 0.810463341999071
Energy: 0.05297677251790411
Energy: 0.05215832880486653
Energy: 0.31659101632441067
Energy: 0.05215832880486653
Energy: 0.31659101632254494
Energy: 0.05215832880486653
Energy: 0.31659101632254494
Energy: 0.7753511185573948
Energy: 0.053866011740252184
Energy: 0.7753511185573948
Energy: 0.053866011701113714
Energy: 0.7753511185573948
Energy: 0.05386601173838643
Energy: 0.8104633419972053
Energy: 0.05297677251976986
Energy: 0.810463341999071
Energy: 0.05297677251976986
Energy: 0.8104633419972053
Energy: 0.05297677251976986
Energy: 0.26031582251713387
Energy: 0.31659101632441067
Energy: 0.05215832880486653
Energy: 0.31659101632441067
Energy: 0.26031582251713387
Energy: 0.31659101632441067
Energy: 0.7753511185555291
Energy: 0.05386601275479945
Energy: 0.7753511185555291
Energy: 0.05386601284244758
Energy: 0.7753511185555291
Energy: 0.053866012808863974
Energy: 0.8104633419972053
Energy: 0.05297677251976986
Energy: 0.810463341999071
Energy: 0.05297677251976986
Energy: 0.8104633419972053
Energy: 0.05297677251790411
Energy: 0.05215832880486653
Energy: 0.31659101632254494
Energy: 0.05215832880486653
Energy: 0.31659101632441067
Energy: 0.05215832880486653
Energy: 0.31659101632254494

minimum gb energy = 0.05215832880486653 eV
minimum distance =  2.45664477098596 Angstroms
sigma value = 3


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

Energy: 1.0016134788266884
Energy: 0.7949415524661675
Energy: 1.00161347882613
Energy: 0.7949415524667258
Energy: 1.0016134788266884
Energy: 0.7949415524661675
Energy: 0.812905499872561
Energy: 0.9480798936253202
Energy: 0.8129054998731193
Energy: 0.9480798936247619
Energy: 0.8129054998731193
Energy: 0.9480798936253202
Energy: 0.8924395734271926
Energy: 0.9513949445376567
Energy: 0.8924395734255176
Energy: 0.9513949445376567
Energy: 0.8924395734271926
Energy: 0.951394944538215
Energy: 0.9329807483513486
Energy: 0.8414106279522419
Energy: 0.9329807483513486
Energy: 0.8414106279522419
Energy: 0.9329807483507904
Energy: 0.8414106279522419
Energy: 0.8623937401553502
Energy: 1.0110651548702707
Energy: 0.8623937401553502
Energy: 1.0110651548702707
Energy: 0.8623937401553502
Energy: 1.011065154870829
Energy: 0.8660819346656435
Energy: 0.904457523310573
Energy: 0.866081934665085
Energy: 0.904457523310573
Energy: 0.8660819346656435
Energy: 0.904457523310573
Energy: 0.9073623254594413
Energy: 0.8984156796941465
Energy: 0.9073623254599995
Energy: 0.8984156796941465
Energy: 0.9073623254594413
Energy: 0.8984156796941465
Energy: 0.8495223669556508
Energy: 0.8312747082762348
Energy: 0.8495223669556508
Energy: 0.8312747082740016
Energy: 0.8495223669556508
Energy: 0.8312747082745601
Energy: 0.8793486553189361
Energy: 0.9020755511351498
Energy: 0.8793486553183776
Energy: 0.9020755511357081
Energy: 0.8793486553183776
Energy: 0.9020755511351498
Energy: 0.8039115554241005
Energy: 0.8467322588937267
Energy: 0.8039115554241005
Energy: 0.8467322588942853
Energy: 0.8039115554246589
Energy: 0.8467322588942853
Energy: 0.8789566833754816
Energy: 0.8316980024918439
Energy: 0.8789566833760402
Energy: 0.8316980024924021
Energy: 0.8789566833760402
Energy: 0.8316980024918439
Energy: 0.9074500890193697
Energy: 0.9200564760261305
Energy: 0.9074500890193697
Energy: 0.9200564760261305
Energy: 0.9074500890193697
Energy: 0.9200564760250137
Energy: 0.9410840872684173
Energy: 0.8297533451696847
Energy: 0.941084087267859
Energy: 0.8297533451696847
Energy: 0.9410840872684173
Energy: 0.8297533451696847
Energy: 0.7827843038788647
Energy: 0.8890385494687498
Energy: 0.7827843038788647
Energy: 0.8890385494681915
Energy: 0.782784303879423
Energy: 0.8890385494687498
Energy: 0.8930089939091395
Energy: 0.8890668003077529
Energy: 0.8930089939091395
Energy: 0.8890668003083112
Energy: 0.8930089939091395
Energy: 0.8890668003077529
Energy: 1.024872202958235
Energy: 0.8511548580732962
Energy: 1.024872202958235
Energy: 0.8511548580732962
Energy: 1.024872202958793
Energy: 0.8511548580732962
Energy: 0.8058956444625214
Energy: 0.918953977341198
Energy: 0.8058956444625214
Energy: 0.918953977341198
Energy: 0.8058956444625214
Energy: 0.9189539773423147
Energy: 0.9491962549581715
Energy: 0.8407683275927639
Energy: 0.9491962549587297
Energy: 0.8407683275927639
Energy: 0.9491962549581715
Energy: 0.8407683275933223
Energy: 0.9485876222478671
Energy: 0.9324584317316001
Energy: 0.9485876222478671
Energy: 0.9324584317316001
Energy: 0.9485876222473086
Energy: 0.9324584317310418
Energy: 0.8330147817510595
Energy: 0.9981098668167516
Energy: 0.8330147817505013
Energy: 0.9981098668161933
Energy: 0.8330147817510595
Energy: 0.9981098668167516
Energy: 0.899608709955527
Energy: 0.8332148277931094
Energy: 0.899608709955527
Energy: 0.8332148277931094
Energy: 0.8996087099549687
Energy: 0.8332148277936678
Energy: 0.9800353193935603
Energy: 0.8496905208859368
Energy: 0.9800353193935603
Energy: 0.8496905208848202
Energy: 0.9800353193930017
Energy: 0.8496905208848202
Energy: 0.8638162801110272
Energy: 0.9936356772791067
Energy: 0.8638162801110272
Energy: 0.9936356772802233
Energy: 0.8638162801110272
Energy: 0.9936356772791067
Energy: 0.9490958550433946
Energy: 0.8287655899069408
Energy: 0.9490958550428363
Energy: 0.8287655899063825
Energy: 0.9490958550433946
Energy: 0.8287655899069408
Energy: 0.9224783586677248
Energy: 0.8689451431076962
Energy: 0.9224783586677248
Energy: 0.8689451431065794
Energy: 0.9224783586677248
Energy: 0.8689451431060212
Energy: 0.8032433141020165
Energy: 0.9833460947692387
Energy: 0.8032433141031331
Energy: 0.9833460947692387
Energy: 0.8032433141020165
Energy: 0.9833460947692387
Energy: 0.971595137615054
Energy: 0.8880921008178794
Energy: 0.971595137615054
Energy: 0.8880921008184376
Energy: 0.971595137615054
Energy: 0.8880921008184376
Energy: 0.8920060279176592
Energy: 0.8806391185945686
Energy: 0.8920060279176592
Energy: 0.8806391185945686
Energy: 0.8920060279176592
Energy: 0.8806391185951269
Energy: 0.7656962791843036
Energy: 1.0062092823285786
Energy: 0.7656962791843036
Energy: 1.0062092823291369
Energy: 0.7656962791843036
Energy: 1.0062092823291369
Energy: 0.970953270985899
Energy: 0.7900748137440479
Energy: 0.970953270985899
Energy: 0.7900748137429313
Energy: 0.9709532709864573
Energy: 0.7900748137446062
Energy: 0.8971291786507718
Energy: 0.8983720151668774
Energy: 0.89712917865133
Energy: 0.8983720151668774
Energy: 0.8971291786507718
Energy: 0.8983720151663191
Energy: 0.8308280945158562
Energy: 0.9185599369074664
Energy: 0.8308280945164146
Energy: 0.9185599369074664
Energy: 0.8308280945169729
Energy: 0.9185599369074664
Energy: 0.8777683918273471
Energy: 0.9028221566221356
Energy: 0.8777683918267888
Energy: 0.9028221566221356
Energy: 0.8777683918273471
Energy: 0.9028221566221356

minimum gb energy = 0.7656962791843036 eV
minimum distance =  2.34235095020567 Angstroms
sigma value = 67


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

Energy: 1.1519000094797378
Energy: 0.9970473211008364
Energy: 1.1519000094805332
Energy: 0.9970473211008364
Energy: 1.1519000094805332
Energy: 0.9970473211008364
Energy: 1.0053848626006956
Energy: 1.1048764681546206
Energy: 1.0053848625999
Energy: 1.104876468153825
Energy: 1.0053848625999
Energy: 1.104876468153825
Energy: 1.125326271614069
Energy: 1.0999788258183936
Energy: 1.1253262716132735
Energy: 1.0999788258183936
Energy: 1.1253262716132735
Energy: 1.0999788258183936
Energy: 1.1227926185461607
Energy: 0.9799619656177437
Energy: 1.1227926185461607
Energy: 0.9799619656177437
Energy: 1.1227926185469561
Energy: 0.9799619656177437
Energy: 1.0381313442677587
Energy: 1.0024230849529796
Energy: 1.0381313442685545
Energy: 1.002423084952184
Energy: 1.0381313442677587
Energy: 1.002423084952184
Energy: 1.071859286735996
Energy: 1.0734792900543193
Energy: 1.071859286735996
Energy: 1.0734792900543193
Energy: 1.0718592867367915
Energy: 1.0734792900543193
Energy: 1.044993716365534
Energy: 1.0608898956182957
Energy: 1.0449937163647387
Energy: 1.0608898956182957
Energy: 1.0449937163647387
Energy: 1.0608898956182957
Energy: 1.1085809450604784
Energy: 0.9959227441059182
Energy: 1.1085809450604784
Energy: 0.9959227441059182
Energy: 1.1085809450596829
Energy: 0.9959227441059182
Energy: 1.1224514490084025
Energy: 1.1143129307366648
Energy: 1.1224514490091984
Energy: 1.1143129307358692
Energy: 1.1224514490091984
Energy: 1.1143129307358692
Energy: 1.0808847148946688
Energy: 1.0488138056598455
Energy: 1.0808847148954646
Energy: 1.0488138056598455
Energy: 1.0808847148946688
Energy: 1.0488138056598455
Energy: 1.0776168929506549
Energy: 1.0701627223470693
Energy: 1.0776168929514502
Energy: 1.0701627223478651
Energy: 1.0776168929506549
Energy: 1.0701627223478651
Energy: 1.0705526917282786
Energy: 1.0517216579833064
Energy: 1.0705526917290742
Energy: 1.0517216579833064
Energy: 1.0705526917274835
Energy: 1.0517216579833064
Energy: 1.0674671897009131
Energy: 1.0957539234315061
Energy: 1.0674671897001176
Energy: 1.0957539234323017
Energy: 1.0674671897009131
Energy: 1.0957539234315061
Energy: 1.0641840983881097
Energy: 1.1094047445878865
Energy: 1.064184098387314
Energy: 1.109404744587091
Energy: 1.064184098387314
Energy: 1.109404744587091
Energy: 1.0143108164975867
Energy: 0.9944840325994585
Energy: 1.0143108164983823
Energy: 0.9944840325994585
Energy: 1.0143108164975867
Energy: 0.994484032598663
Energy: 1.0140073605280915
Energy: 1.0301522730695265
Energy: 1.0140073605288873
Energy: 1.0301522730695265
Energy: 1.0140073605280915
Energy: 1.0301522730695265
Energy: 1.0087740646905878
Energy: 1.1489616526138653
Energy: 1.0087740646897925
Energy: 1.1489616526130697
Energy: 1.0087740646913834
Energy: 1.1489616526138653
Energy: 1.0547346782444853
Energy: 0.9813966281634988
Energy: 1.0547346782428941
Energy: 0.9813966281627031
Energy: 1.0547346782428941
Energy: 0.9813966281627031
Energy: 1.1006574058793381
Energy: 1.1020368848811022
Energy: 1.1006574058793381
Energy: 1.1020368848811022
Energy: 1.1006574058793381
Energy: 1.102036884881898
Energy: 1.0882544367453297
Energy: 1.1200689166917117
Energy: 1.0882544367461253
Energy: 1.1200689166917117
Energy: 1.0882544367453297
Energy: 1.1200689166917117
Energy: 1.085001789127897
Energy: 0.9836117964098176
Energy: 1.085001789127101
Energy: 0.9836117964098176
Energy: 1.0850017891286925
Energy: 0.9836117964098176
Energy: 1.116163116206386
Energy: 1.146519355180045
Energy: 1.116163116206386
Energy: 1.146519355180045
Energy: 1.1161631162055905
Energy: 1.146519355180045
Energy: 0.9166337293672149
Energy: 1.1166526840539606
Energy: 0.9166337293688062
Energy: 1.1166526840531652
Energy: 0.9166337293680105
Energy: 1.1166526840531652

minimum gb energy = 0.9166337293672149 eV
minimum distance =  2.32723000742401 Angstroms
sigma value = 33


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

Energy: 1.3094578871524811
Energy: 1.0537820467527514
Energy: 1.3094578871524811
Energy: 1.053782046753256
Energy: 1.3094578871529858
Energy: 1.053782046753256
Energy: 1.0982915300186136
Energy: 1.187970129863178
Energy: 1.0982915300181089
Energy: 1.187970129863178
Energy: 1.0982915300186136
Energy: 1.187970129863178
Energy: 1.2073763151453576
Energy: 1.1883429351205912
Energy: 1.2073763151458623
Energy: 1.1883429351205912
Energy: 1.2073763151448529
Energy: 1.1883429351205912
Energy: 1.212574305575015
Energy: 1.0516444304607118
Energy: 1.2125743055745104
Energy: 1.0516444304607118
Energy: 1.2125743055745104
Energy: 1.0516444304607118
Energy: 1.1045828287418333
Energy: 1.22451499344106
Energy: 1.104582828742338
Energy: 1.22451499344106
Energy: 1.104582828742338
Energy: 1.22451499344106
Energy: 1.3166589086712932
Energy: 1.2535632706260658
Energy: 1.316658908672807
Energy: 1.2535632706260658
Energy: 1.3166589086717977
Energy: 1.2535632706260658
Energy: 1.1020304713961904
Energy: 1.2095123158203451
Energy: 1.1020304713956859
Energy: 1.2095123158203451
Energy: 1.1020304713966953
Energy: 1.2095123158203451
Energy: 1.1749097089767586
Energy: 1.1988066642345647
Energy: 1.1749097089772633
Energy: 1.1988066642345647
Energy: 1.1749097089767586
Energy: 1.1988066642345647
Energy: 1.1656865248967982
Energy: 1.1983850224931825
Energy: 1.165686524897303
Energy: 1.1983850224931825
Energy: 1.1656865248967982
Energy: 1.1983850224931825
Energy: 1.2816333188784614
Energy: 1.2238220341453492
Energy: 1.2816333188784614
Energy: 1.256112056149966
Energy: 1.2816333188784614
Energy: 1.256112056149966
Energy: 1.1647679488145077
Energy: 1.2251095088294894
Energy: 1.1647679488145077
Energy: 1.2251095088294894
Energy: 1.1647679488140033
Energy: 1.2251095088294894
Energy: 1.1141141478572845
Energy: 1.1112025933692598
Energy: 1.114114147857789
Energy: 1.1112025933692598
Energy: 1.1141141478567798
Energy: 1.1112025933687553
Energy: 1.2772588085970418
Energy: 1.117570512395042
Energy: 1.2772588085960326
Energy: 1.1175705123955466
Energy: 1.2772588085960326
Energy: 1.117570512395042
Energy: 1.1365600706572767
Energy: 1.1960448595014848
Energy: 1.1365600706572767
Energy: 1.1960448595014848
Energy: 1.1365600706572767
Energy: 1.1960448595014848
Energy: 1.159559696636256
Energy: 1.122803722003623
Energy: 1.1595596966357513
Energy: 1.122803722003623
Energy: 1.1595596966372654
Energy: 1.122803722003623
Energy: 1.2125031146383067
Energy: 1.1948047263888173
Energy: 1.2125031146383067
Energy: 1.1948047263888173
Energy: 1.2125031146388112
Energy: 1.1948047263888173
Energy: 1.1887781764148238
Energy: 1.197324125332135
Energy: 1.188778176414319
Energy: 1.197324125332135
Energy: 1.1887781764148238
Energy: 1.197324125332135
Energy: 1.241194701714542
Energy: 1.2466494333149643
Energy: 1.2411947017155511
Energy: 1.2466494333149643
Energy: 1.2411947017150466
Energy: 1.2466494333149643
Energy: 1.101500479529119
Energy: 1.2496684722656934
Energy: 1.1015004795286145
Energy: 1.2496684722661981
Energy: 1.101500479529119
Energy: 1.2496684722661981
Energy: 1.2120799475226582
Energy: 1.2262469830803704
Energy: 1.2120799475221535
Energy: 1.226246983080875
Energy: 1.2120799475226582
Energy: 1.2262469830798657
Energy: 1.253175062021081
Energy: 1.1933231341997124
Energy: 1.253175062021081
Energy: 1.1933231342002169
Energy: 1.2531750620215856
Energy: 1.1933231342002169
Energy: 1.1619558633621747
Energy: 1.090233858974782
Energy: 1.1619558633626796
Energy: 1.090233858974782
Energy: 1.1619558633611653
Energy: 1.090233858974782
Energy: 1.092141467759187
Energy: 1.2251065239336074
Energy: 1.092141467759187
Energy: 1.2251065239341121
Energy: 1.092141467759187
Energy: 1.2251065239346168
Energy: 1.2595661858104628
Energy: 1.1386835546465026
Energy: 1.2595661858104628
Energy: 1.1386835546465026
Energy: 1.2595661858109675
Energy: 1.1386835546465026
Energy: 1.1142915266889615
Energy: 1.1070994828671488
Energy: 1.1142915266884568
Energy: 1.1070994828671488
Energy: 1.1142915266894662
Energy: 1.1070994828676075
Energy: 1.0986953154637749
Energy: 1.2598374166150934
Energy: 1.0986953154637749
Energy: 1.2598374166150934
Energy: 1.0986953154632702
Energy: 1.2598374166150934
Energy: 1.1016663913061722
Energy: 1.180646278947537
Energy: 1.1016663913061722
Energy: 1.180646278947537
Energy: 1.1016663913056675
Energy: 1.180646278947537
Energy: 1.2536656638735977
Energy: 1.2455821580512574
Energy: 1.2536656638735977
Energy: 1.2455821580512574
Energy: 1.2536656638735977
Energy: 1.2455821580512574
Energy: 1.2116909396258377
Energy: 1.2239426885900908
Energy: 1.2116909396268472
Energy: 1.2239426885905955
Energy: 1.2116909396268472
Energy: 1.2239426885905955
Energy: 1.1029470130771435
Energy: 1.0278461354935755
Energy: 1.102947013077648
Energy: 1.0278461354930708
Energy: 1.102947013077648
Energy: 1.0278461354935755
Energy: 1.3180073790507334
Energy: 1.260339137661573
Energy: 1.318007379051238
Energy: 1.260339137661573
Energy: 1.3180073790497242
Energy: 1.2603391376610682
Energy: 1.202174187835202
Energy: 1.2266731781451483
Energy: 1.2021741878357066
Energy: 1.2266731781456528
Energy: 1.2021741878357066
Energy: 1.2266731781456528
Energy: 1.2055121718108934
Energy: 1.1923509374806889
Energy: 1.2055121718108934
Energy: 1.1923509374801842
Energy: 1.2055121718108934
Energy: 1.1923509374806889
Energy: 1.1610083906155109
Energy: 1.188260594209967
Energy: 1.1610083906155109
Energy: 1.1882605942094624
Energy: 1.1610083906155109
Energy: 1.1882605942094624
Energy: 1.138426487993064
Energy: 1.1887578048888474
Energy: 1.138426487993064
Energy: 1.1887578048888474
Energy: 1.138426487993064
Energy: 1.1887578048888474
Energy: 1.2811757347111579
Energy: 1.1172467866177707
Energy: 1.2811757347101487
Energy: 1.1172467866177707
Energy: 1.2811757347111579
Energy: 1.1172467866177707
Energy: 1.0987819596145993
Energy: 1.1304861163067002
Energy: 1.09878195961359
Energy: 1.1304861163067002
Energy: 1.0987819596145993
Energy: 1.1304861163077093

minimum gb energy = 1.0278461354930708 eV
minimum distance =  2.32952829594386 Angstroms
sigma value = 41


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

Energy: 1.3842639213732668
Energy: 1.1790459247411065
Energy: 1.3842639213732668
Energy: 1.1790459247411065
Energy: 1.3842639213732668
Energy: 1.1790459247411065
Energy: 1.2055191974073824
Energy: 1.3012136048463439
Energy: 1.2055191974073824
Energy: 1.3012136048463439
Energy: 1.20551919740876
Energy: 1.3012136048463439
Energy: 1.5423189470940868
Energy: 1.302213857760685
Energy: 1.452029666917238
Energy: 1.302213857760685
Energy: 1.452029666917238
Energy: 1.302213857760685
Energy: 1.3523531126209567
Energy: 1.4030974510966867
Energy: 1.3523531126209567
Energy: 1.4030974510966867
Energy: 1.352353112619579
Energy: 1.4030974510966867
Energy: 1.3130816732274841
Energy: 1.3003434868266714
Energy: 1.3130816732274841
Energy: 1.3003434868266714
Energy: 1.3130816732274841
Energy: 1.3003434868266714
Energy: 1.4219389406183316
Energy: 1.3108665810756315
Energy: 1.4219389406183316
Energy: 1.3108665810756315
Energy: 1.4219389406183316
Energy: 1.3108665810756315
Energy: 1.3468878674322857
Energy: 1.3600354060200837
Energy: 1.3468878674322857
Energy: 1.3600354060200837
Energy: 1.3468878674322857
Energy: 1.3600354060200837
Energy: 1.2938924321062293
Energy: 1.3306674557341258
Energy: 1.2938924321048515
Energy: 1.3306674557341258
Energy: 1.2938924321062293
Energy: 1.3306674557341258
Energy: 1.2207102014096036
Energy: 1.2137372456874151
Energy: 1.220710201408226
Energy: 1.2137372456887934
Energy: 1.220710201408226
Energy: 1.2137372456874151
Energy: 1.3710564954121687
Energy: 1.2206136413523396
Energy: 1.3710564954121687
Energy: 1.2206136413523396
Energy: 1.3710564954107907
Energy: 1.2206136413523396
Energy: 1.2110993410909139
Energy: 1.3023573885041502
Energy: 1.211099341089536
Energy: 1.3023573885041502
Energy: 1.2110993410909139
Energy: 1.3023573885041502
Energy: 1.2879705695462418
Energy: 1.2998264613104604
Energy: 1.2879705695462418
Energy: 1.2998264613104604
Energy: 1.2879705695462418
Energy: 1.2998264613118384
Energy: 1.3727888307264744
Energy: 1.33471954954067
Energy: 1.3727888307264744
Energy: 1.3347195495420483
Energy: 1.3727888307264744
Energy: 1.33471954954067
Energy: 1.1637794952318317
Energy: 1.3031024988505173
Energy: 1.1637794952318317
Energy: 1.3031024988505173
Energy: 1.1637794952318317
Energy: 1.3031024988505173

minimum gb energy = 1.1637794952318317 eV
minimum distance =  2.26331693386644 Angstroms
sigma value = 11


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

Energy: 1.4306342332463347
Energy: 1.446532563435403
Energy: 1.4306342332463347
Energy: 1.446532563435403
Energy: 1.4306342332463347
Energy: 1.446532563435403
Energy: 1.3917611721332332
Energy: 1.403323131356653
Energy: 1.3917611721332332
Energy: 1.4033231313572585
Energy: 1.391761172132628
Energy: 1.4033231313572585
Energy: 1.41277131188807
Energy: 1.3829645831784567
Energy: 1.455075171590582
Energy: 1.3829645831790622
Energy: 1.412771311887465
Energy: 1.3829645831790622
Energy: 1.3974130300259526
Energy: 1.295990703956063
Energy: 1.3974130300259526
Energy: 1.295990703956063
Energy: 1.3974130300259526
Energy: 1.295990703956063
Energy: 1.3912579572032302
Energy: 1.373253606939837
Energy: 1.3912579572032302
Energy: 1.373253606939837
Energy: 1.3912579572032302
Energy: 1.373253606939837
Energy: 1.3352898881068507
Energy: 1.397633861771226
Energy: 1.3352898881062452
Energy: 1.3976338617706205
Energy: 1.3352898881068507
Energy: 1.397633861771226
Energy: 1.3808202178832123
Energy: 1.3419493624153755
Energy: 1.380820217882607
Energy: 1.3419493624153755
Energy: 1.380820217882607
Energy: 1.3419493624153755
Energy: 1.4309423633675604
Energy: 1.3532911305819524
Energy: 1.4309423633681655
Energy: 1.3532911305813469
Energy: 1.4309423633681655
Energy: 1.3532911305813469
Energy: 1.3727922678930473
Energy: 1.3622252137606365
Energy: 1.3727922678936528
Energy: 1.3622252137612418
Energy: 1.3727922678948634
Energy: 1.3622252137606365
Energy: 1.3647670299269563
Energy: 1.3908774245115616
Energy: 1.3647670299269563
Energy: 1.3908774245109563
Energy: 1.3647670299269563
Energy: 1.3908774245115616
Energy: 1.3291015152340089
Energy: 1.4414342878693573
Energy: 1.3291015152340089
Energy: 1.4414342878699629
Energy: 1.3291015152340089
Energy: 1.4414342878693573
Energy: 1.3732516629790017
Energy: 1.421366200583867
Energy: 1.3732516629783962
Energy: 1.421366200583867
Energy: 1.3732516629783962
Energy: 1.421366200583867
Energy: 1.4115367198281152
Energy: 1.3493901046255594
Energy: 1.4115367198281152
Energy: 1.3493901046255594
Energy: 1.4115367198281152
Energy: 1.3493901046255594
Energy: 1.332744793712627
Energy: 1.4049051333825306
Energy: 1.3327447937120218
Energy: 1.4049051333825306
Energy: 1.3327447937120218
Energy: 1.4049051333825306
Energy: 1.3090500407584489
Energy: 1.3177960421927886
Energy: 1.3090500407584489
Energy: 1.3177960421927886
Energy: 1.3090500407584489
Energy: 1.3177960421927886
Energy: 1.3813933174559792
Energy: 1.3492116080129
Energy: 1.3813933174559792
Energy: 1.3492116080129
Energy: 1.3813933174559792
Energy: 1.3492116080129
Energy: 1.3253714094455917
Energy: 1.420177843169931
Energy: 1.3253714094455917
Energy: 1.420177843169931
Energy: 1.3253714094455917
Energy: 1.420177843170536
Energy: 1.480418074159225
Energy: 1.4390330541096048
Energy: 1.480418074159225
Energy: 1.4390330541102099
Energy: 1.480418074159225
Energy: 1.4390330541102099
Energy: 1.3303134529609437
Energy: 1.316961454454432
Energy: 1.3303134529615492
Energy: 1.316961454454432
Energy: 1.3303134529609437
Energy: 1.316961454454432
Energy: 1.3364479885596474
Energy: 1.369689637446879
Energy: 1.3364479885596474
Energy: 1.369689637446879
Energy: 1.3364479885596474
Energy: 1.369689637446879
Energy: 1.2633551285838964
Energy: 1.3086801060115818
Energy: 1.263355128583291
Energy: 1.3086801060115818
Energy: 1.2633551285838964
Energy: 1.3086801060115818
Energy: 1.4335578692155686
Energy: 1.4597814514084322
Energy: 1.4335578692155686
Energy: 1.4597814514084322
Energy: 1.4335578692155686
Energy: 1.4597814514090373
Energy: 1.385157417976205
Energy: 1.356191202423643
Energy: 1.3851574179768105
Energy: 1.356191202423643
Energy: 1.3851574179774155
Energy: 1.356191202423643
Energy: 1.43143278375109
Energy: 1.4031911001268573
Energy: 1.4314327837516954
Energy: 1.4031911001268573
Energy: 1.4314327837516954
Energy: 1.4031911001268573
Energy: 1.3628068603255754
Energy: 1.3827560635291496
Energy: 1.3628068603255754
Energy: 1.382756063529755
Energy: 1.3628068603255754
Energy: 1.3827560635291496
Energy: 1.3184740480469503
Energy: 1.3918954924010036
Energy: 1.3184740480469503
Energy: 1.3918954924003986
Energy: 1.3184740480463448
Energy: 1.3918954924003986
Energy: 1.3440706368010453
Energy: 1.3976214080526053
Energy: 1.3440706368010453
Energy: 1.3976214080526053
Energy: 1.3440706368010453
Energy: 1.3976214080526053
Energy: 1.4136373458059703
Energy: 1.3854529661086885
Energy: 1.4136373458059703
Energy: 1.3854529661086885
Energy: 1.4136373458059703
Energy: 1.3854529661086885
Energy: 1.3351308635328294
Energy: 1.40180903288843
Energy: 1.3351308635328294
Energy: 1.40180903288843
Energy: 1.3351308635328294
Energy: 1.4018090328890354
Energy: 1.3038985959049862
Energy: 1.2396634920468688
Energy: 1.3038985959055918
Energy: 1.2396634920474738
Energy: 1.3038985959055918
Energy: 1.2396634920468688
Energy: 1.365420017014114
Energy: 1.4260052563556291
Energy: 1.365420017014114
Energy: 1.4260052563556291
Energy: 1.365420017014114
Energy: 1.4260052563556291

minimum gb energy = 1.2396634920468688 eV
minimum distance =  2.2348772563275 Angstroms
sigma value = 57


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

Energy: 1.221690500097626
Energy: 1.1194461009005034
Energy: 1.221690500097626
Energy: 1.1194461009005034
Energy: 1.221690500097626
Energy: 1.1194461009005034
Energy: 1.3399318680711774
Energy: 1.5285563575615546
Energy: 1.3399318680711774
Energy: 1.5285563575615546
Energy: 1.3399318680701002
Energy: 1.5285563575626318
Energy: 1.3854113604120675
Energy: 1.2921138374341365
Energy: 1.3854113604131446
Energy: 1.2921138374330592
Energy: 1.3854113604131446
Energy: 1.2921138374341365
Energy: 1.2018553182644696
Energy: 1.2040589099609902
Energy: 1.2018553182644696
Energy: 1.2040589099609902
Energy: 1.2018553182644696
Energy: 1.2040589099609902
Energy: 1.3854186379099316
Energy: 1.292108738734545
Energy: 1.3854186379099316
Energy: 1.292108738734545
Energy: 1.3854186379099316
Energy: 1.2921087387356223
Energy: 1.3400650173757007
Energy: 1.3260254453100626
Energy: 1.3400650173757007
Energy: 1.156980303125261
Energy: 1.3400650173757007
Energy: 1.156980303125261
Energy: 1.221690500097626
Energy: 1.1194461009005034
Energy: 1.221690500097626
Energy: 1.1194461009005034
Energy: 1.221690500097626
Energy: 1.1194461009005034
Energy: 1.3399318680690229
Energy: 1.5285563575615546
Energy: 1.3399318680690229
Energy: 1.5285563575615546
Energy: 1.3399318680690229
Energy: 1.5285563575626318
Energy: 1.3854113604120675
Energy: 1.2921138374341365
Energy: 1.3854113604120675
Energy: 1.2921138374341365
Energy: 1.3854113604109901
Energy: 1.2921138374341365
Energy: 1.2018553182655467
Energy: 1.3891618972703639
Energy: 1.2018553182655467
Energy: 1.3891618972703639
Energy: 1.2018553182655467
Energy: 1.3891618972703639
Energy: 1.3854186379099316
Energy: 1.292108738734545
Energy: 1.3854186379099316
Energy: 1.292108738734545
Energy: 1.3854186379099316
Energy: 1.2921087387356223
Energy: 1.3400650173757007
Energy: 1.156980303125261
Energy: 1.3400650173746236
Energy: 1.1569803031263381
Energy: 1.3400650173757007
Energy: 1.1569803031263381
Energy: 1.221690500097626
Energy: 1.1194461009005034
Energy: 1.221690500098703
Energy: 1.1194461009005034
Energy: 1.221690500097626
Energy: 1.1194461009005034
Energy: 1.3399318680711774
Energy: 1.5285563575615546
Energy: 1.3399318680701002
Energy: 1.5285563575615546
Energy: 1.3399318680711774
Energy: 1.5285563575626318
Energy: 1.3854113604131446
Energy: 1.2921138374341365
Energy: 1.3854113604131446
Energy: 1.2921138374341365
Energy: 1.3854113604131446
Energy: 1.2921138374341365
Energy: 1.2018553182644696
Energy: 1.1311307341163246
Energy: 1.2018553182644696
Energy: 1.1311307341174017
Energy: 1.2018553182644696
Energy: 1.1311307341174017
Energy: 1.3854186379099316
Energy: 1.2921087387356223
Energy: 1.3854186379099316
Energy: 1.2921087387356223
Energy: 1.3854186379099316
Energy: 1.2921087387356223

minimum gb energy = 1.1194461009005034 eV
minimum distance =  2.33751286140727 Angstroms
sigma value = 9


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

Energy: 1.3390786455987427
Energy: 1.4048542793829868
Energy: 1.3390786455987427
Energy: 1.4048542793829868
Energy: 1.3390786455987427
Energy: 1.4048542793821073
Energy: 1.3883765809267334
Energy: 1.3885012487521586
Energy: 1.3883765809267334
Energy: 1.3885012487521586
Energy: 1.388376580927613
Energy: 1.3885012487521586
Energy: 1.5162070798994802
Energy: 1.2850819649623006
Energy: 1.337821829215697
Energy: 1.2850819649623006
Energy: 1.5162070798994802
Energy: 1.2850819649623006
Energy: 1.3466175958174367
Energy: 1.466885741836165
Energy: 1.346617595816557
Energy: 1.4668857418370442
Energy: 1.3466175958174367
Energy: 1.4668857418370442
Energy: 1.300125545627724
Energy: 1.3860356078388114
Energy: 1.3001255456268446
Energy: 1.3860356078388114
Energy: 1.300125545627724
Energy: 1.3860356078388114
Energy: 1.495386080188108
Energy: 1.341672693732385
Energy: 1.495386080189827
Energy: 1.3416726937332644
Energy: 1.495386080189827
Energy: 1.3416726937332644
Energy: 1.2774235964209428
Energy: 1.293031649141245
Energy: 1.2774235964209428
Energy: 1.2930316491421245
Energy: 1.2774235964209428
Energy: 1.2930316491421245
Energy: 1.506167185520192
Energy: 1.3140984337885995
Energy: 1.506167185520192
Energy: 1.3140984337885995
Energy: 1.506167185520192
Energy: 1.3140984337885995
Energy: 1.5759240130730798
Energy: 1.388502806908787
Energy: 1.5759240130730798
Energy: 1.3885028069079075
Energy: 1.5759240130730798
Energy: 1.3885028069079075
Energy: 1.3078031191141803
Energy: 1.3348621506544982
Energy: 1.3078031191150599
Energy: 1.3348621506544982
Energy: 1.3078031191150599
Energy: 1.3348621506544982
Energy: 1.2669138641472104
Energy: 1.2808759423108604
Energy: 1.2669138641472104
Energy: 1.2808759423108604
Energy: 1.2669138641472104
Energy: 1.2808759423108604
Energy: 1.3380070347497195
Energy: 1.3232819562069251
Energy: 1.3380070347497195
Energy: 1.3232819562069251
Energy: 1.3380070347497195
Energy: 1.3232819562069251
Energy: 1.3101301318090746
Energy: 1.5559883066155475
Energy: 1.3101301318090746
Energy: 1.5559883066155475
Energy: 1.3101301318090746
Energy: 1.5559883066155475
Energy: 1.3034616484982728
Energy: 1.3368322143728937
Energy: 1.3034616484982728
Energy: 1.3368322143728937
Energy: 1.303461648497393
Energy: 1.3368322143728937
Energy: 1.3825220085819125
Energy: 1.3650113541656328
Energy: 1.3825220085819125
Energy: 1.3650113541656328
Energy: 1.3825220085819125
Energy: 1.3650113541656328
Energy: 1.3348771244995283
Energy: 1.3578610025672444
Energy: 1.334877124498649
Energy: 1.3578610025672444
Energy: 1.3348771244995283
Energy: 1.3578610025672444
Energy: 1.4069202152006763
Energy: 1.3586194047026496
Energy: 1.4069202152015559
Energy: 1.3586194047026496
Energy: 1.4069202152015559
Energy: 1.3586194047026496
Energy: 1.461150418849977
Energy: 1.3623798104589595
Energy: 1.4611504188490976
Energy: 1.36237981045808
Energy: 1.4611504188490976
Energy: 1.36237981045808
Energy: 1.2734931115625805
Energy: 1.3386717160601456
Energy: 1.2734931115634598
Energy: 1.3386717160583863
Energy: 1.2734931115634598
Energy: 1.338671716059266
Energy: 1.393676137445206
Energy: 1.3277843425852567
Energy: 1.393676137445206
Energy: 1.327784342594052
Energy: 1.393676137445206
Energy: 1.3277843425931726
Energy: 1.3389992695292994
Energy: 1.3213822299324305
Energy: 1.3389992695292994
Energy: 1.3213822299324305
Energy: 1.3389992695292994
Energy: 1.3213822299324305

minimum gb energy = 1.2669138641472104 eV
minimum distance =  2.27953423905598 Angstroms
sigma value = 27


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

Energy: 1.4227034605431028
Energy: 1.557018174752325
Energy: 1.3775407742601251
Energy: 1.557018174752325
Energy: 1.4227034605431028
Energy: 1.5570181747515839
Energy: 1.3843635599917834
Energy: 1.3353050963356239
Energy: 1.384363559991042
Energy: 1.3353050963356239
Energy: 1.384363559991042
Energy: 1.3353050963363653
Energy: 1.233803102553932
Energy: 1.3067622945184982
Energy: 1.2338031025524492
Energy: 1.3067622945184982
Energy: 1.233803102553932
Energy: 1.3067622945177568
Energy: 1.2594667866862168
Energy: 1.3677082558511877
Energy: 1.259466786686958
Energy: 1.3677082558511877
Energy: 1.259466786686958
Energy: 1.3677082558519291
Energy: 1.2295443463127569
Energy: 1.3237683199942523
Energy: 1.2295443463142397
Energy: 1.3237683199942523
Energy: 1.2295443463127569
Energy: 1.323768319992028
Energy: 1.4142468033967404
Energy: 1.3934304016574026
Energy: 1.414246803395999
Energy: 1.3934304016574026
Energy: 1.414246803395999
Energy: 1.393430401656661
Energy: 1.3111824167675288
Energy: 1.339701528087189
Energy: 1.3111824167667872
Energy: 1.339701528087189
Energy: 1.3111824167675288
Energy: 1.339701528088672
Energy: 1.3701086456446379
Energy: 1.2333645648852338
Energy: 1.3701086456453793
Energy: 1.2333645648852338
Energy: 1.3701086456446379
Energy: 1.2333645648859752
Energy: 1.3876587416500803
Energy: 1.258990022949801
Energy: 1.3876219678457604
Energy: 1.2589900229490598
Energy: 1.3876587416500803
Energy: 1.258990022947577
Energy: 1.3942279353948062
Energy: 1.3994160146060715
Energy: 1.3942523926993782
Energy: 1.3994160146060715
Energy: 1.3942279353948062
Energy: 1.399416014607554
Energy: 1.3927850270941577
Energy: 1.5221626223967528
Energy: 1.3929225312080904
Energy: 1.5221626223967528
Energy: 1.3927850270934163
Energy: 1.5221626223960112
Energy: 1.3392260726250467
Energy: 1.312241933859975
Energy: 1.3392260726257883
Energy: 1.312241933859975
Energy: 1.3392260726250467
Energy: 1.3122419338577846
Energy: 1.2991210645783349
Energy: 1.3698202613864237
Energy: 1.2991210645775937
Energy: 1.3698202613864237
Energy: 1.2991210645783349
Energy: 1.3698202613856825
Energy: 1.25926738129674
Energy: 1.2694062319602388
Energy: 1.2592673812974478
Energy: 1.2694062319602388
Energy: 1.25926738129674
Energy: 1.2694062319587562
Energy: 1.5002513719381616
Energy: 1.3910634547429184
Energy: 1.500230902395684
Energy: 1.3910634547429184
Energy: 1.5002513719381616
Energy: 1.3910634547436596
Energy: 1.3351050963862279
Energy: 1.3234248283331314
Energy: 1.3351050963862279
Energy: 1.3234248283331314
Energy: 1.3351050963862279
Energy: 1.3234248283331314
Energy: 1.2846602683274597
Energy: 1.2342664774835914
Energy: 1.2846602683296835
Energy: 1.2342664774843328
Energy: 1.284660268328201
Energy: 1.2342664774835914
Energy: 1.3679787578588758
Energy: 1.3021746641880294
Energy: 1.3679787578581346
Energy: 1.3021746641880294
Energy: 1.3679787578588758
Energy: 1.302174664187288
Energy: 1.2715790218527039
Energy: 1.3242962161964804
Energy: 1.1894118377240515
Energy: 1.3242962161964804
Energy: 1.2715790218527039
Energy: 1.324296216195739
Energy: 1.4227034605438442
Energy: 1.5570181747530667
Energy: 1.3775407742593837
Energy: 1.5570181747530667
Energy: 1.4227034605438442
Energy: 1.557018174752325
Energy: 1.3843635599925246
Energy: 1.3353050963348827
Energy: 1.3843635599925246
Energy: 1.3353050963348827
Energy: 1.3843635599925246
Energy: 1.3353050963363653
Energy: 1.2338031025524492
Energy: 1.3067622945184982
Energy: 1.2338031025517413
Energy: 1.3067622945184982
Energy: 1.2338031025524492
Energy: 1.3067622945170152
Energy: 1.2594667866876994
Energy: 1.3677082558504463
Energy: 1.2594667866876994
Energy: 1.3677082558504463
Energy: 1.2594667866876994
Energy: 1.367708255849705
Energy: 1.2295443463142397
Energy: 1.3237683199942523
Energy: 1.2295443463134983
Energy: 1.3237683199942523
Energy: 1.2295443463134983
Energy: 1.323768319992028
Energy: 1.414246803395999
Energy: 1.393430401658144
Energy: 1.4142468033967404
Energy: 1.3934304016588852
Energy: 1.414246803395999
Energy: 1.393430401658144

minimum gb energy = 1.1894118377240515 eV
minimum distance =  2.25348804649891 Angstroms
sigma value = 19


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

Energy: 1.302532553388167
Energy: 1.4114438335351798
Energy: 1.302532553388167
Energy: 1.4114438335345398
Energy: 1.302532553388167
Energy: 1.4114438335345398
Energy: 1.4284180406221119
Energy: 1.3414073162874804
Energy: 1.4284180406221119
Energy: 1.3414073162874804
Energy: 1.4284180406221119
Energy: 1.3414073162874804
Energy: 1.3770788369712064
Energy: 1.25716298165991
Energy: 1.3770788369724862
Energy: 1.25716298165991
Energy: 1.3770788369705664
Energy: 1.25716298165991
Energy: 1.24811573482531
Energy: 1.3288767666732006
Energy: 1.24811573482531
Energy: 1.3288767666732006
Energy: 1.24811573482531
Energy: 1.3288767666732006
Energy: 1.2959718172170944
Energy: 1.3675794208423653
Energy: 1.2959718172177344
Energy: 1.3675794208423653
Energy: 1.2959718172170944
Energy: 1.3675794208423653
Energy: 1.3398965859920362
Energy: 1.256443618904099
Energy: 1.3398965859920362
Energy: 1.256443618904099
Energy: 1.3398965859920362
Energy: 1.256443618904099
Energy: 1.2999778274990348
Energy: 1.5047097118670947
Energy: 1.2999778274977547
Energy: 1.5047097118670947
Energy: 1.2999778274983946
Energy: 1.5047097118670947
Energy: 1.2818898630834703
Energy: 1.450698124787095
Energy: 1.2818898630834703
Energy: 1.450698124787095
Energy: 1.2818898630834703
Energy: 1.450698124787095
Energy: 1.3470608253455125
Energy: 1.2264527844858022
Energy: 1.3470608253461525
Energy: 1.2264527844858022
Energy: 1.3470608253461525
Energy: 1.2264527844858022
Energy: 1.374586949036568
Energy: 1.3352948499924662
Energy: 1.3745869490359284
Energy: 1.335294849993106
Energy: 1.374586949036568
Energy: 1.3352948499924662
Energy: 1.237487084733322
Energy: 1.448526662163154
Energy: 1.2374870847339616
Energy: 1.448526662163154
Energy: 1.2374870847339616
Energy: 1.448526662163154
Energy: 1.4190109769191723
Energy: 1.2550022620766783
Energy: 1.4190109769191723
Energy: 1.2550022620766783
Energy: 1.4190109769185324
Energy: 1.2550022620766783
Energy: 1.414229686990444
Energy: 1.2666526970599365
Energy: 1.4142296869898041
Energy: 1.2666526970599365
Energy: 1.4142296869898041
Energy: 1.2666526970592966
Energy: 1.2549236655547118
Energy: 1.3266773402148038
Energy: 1.2549236655547118
Energy: 1.3266773402148038
Energy: 1.2549236655553517
Energy: 1.3266773402148038
Energy: 1.3867937469851714
Energy: 1.2279345128164387
Energy: 1.3867937469845315
Energy: 1.2279345128164387
Energy: 1.3867937469851714
Energy: 1.2279345128170787
Energy: 1.448777855086552
Energy: 1.2265013230083475
Energy: 1.448777855086552
Energy: 1.2265013230077075
Energy: 1.448777855086552
Energy: 1.2265013230077075
Energy: 1.2646324309486223
Energy: 1.4106610355983
Energy: 1.2646324309486223
Energy: 1.41066103559766
Energy: 1.2646324309486223
Energy: 1.4106610355983
Energy: 1.3370684140933204
Energy: 1.5104768257718357
Energy: 1.3370684140939604
Energy: 1.5104768257718357
Energy: 1.3370684140933204
Energy: 1.5104768257718357
Energy: 1.36756552608438
Energy: 1.2548787642366661
Energy: 1.36756552608438
Energy: 1.2548787642366661
Energy: 1.36756552608438
Energy: 1.2548787642360262
Energy: 1.2630769418642358
Energy: 1.3657615424800278
Energy: 1.2630769418642358
Energy: 1.3657615424800278
Energy: 1.2630769418642358
Energy: 1.3657615424800278
Energy: 1.2203560425501907
Energy: 1.4492419479935468
Energy: 1.2203560425501907
Energy: 1.4492419479935468
Energy: 1.2203560425501907
Energy: 1.4492419479935468
Energy: 1.4330786016386237
Energy: 1.2568095237297756
Energy: 1.4330786016386237
Energy: 1.2568095237297756
Energy: 1.4330786016386237
Energy: 1.2568095237297756
Energy: 1.4159110302935791
Energy: 1.3312413529855203
Energy: 1.4159110302935791
Energy: 1.3312413529855203
Energy: 1.4159110302935791
Energy: 1.3312413529855203
Energy: 1.2900069259983187
Energy: 1.4103406956688487
Energy: 1.2900069259976787
Energy: 1.4103406956688487
Energy: 1.2900069259983187
Energy: 1.4103406956688487
Energy: 1.3503034350257084
Energy: 1.2569648159456708
Energy: 1.3503034350257084
Energy: 1.2569648159456708
Energy: 1.3503034350257084
Energy: 1.2569648159456708
Energy: 1.4232756671925353
Energy: 1.273047151031738
Energy: 1.4232756671931754
Energy: 1.273047151031738
Energy: 1.4232756671925353
Energy: 1.273047151031738
Energy: 1.2304292864954924
Energy: 1.2994874324592058
Energy: 1.2304292864948525
Energy: 1.299487432458566
Energy: 1.2304292864954924
Energy: 1.2994874324592058
Energy: 1.3677779087675477
Energy: 1.322404734839887
Energy: 1.3677779087669075
Energy: 1.322404734839887
Energy: 1.3677779087681874
Energy: 1.322404734839887
Energy: 1.3763439259921946
Energy: 1.25533043349706
Energy: 1.3763439259928347
Energy: 1.25533043349706
Energy: 1.3763439259921946
Energy: 1.25533043349706

minimum gb energy = 1.2203560425501907 eV
minimum distance =  2.27067113077348 Angstroms
sigma value = 101


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

Energy: 1.2322286536779585
Energy: 1.3607875279219497
Energy: 1.2322286536779585
Energy: 1.3607875279219497
Energy: 1.232228653677396
Energy: 1.3607875279219497
Energy: 1.437919843168052
Energy: 1.280088018467722
Energy: 1.437919843168052
Energy: 1.280088018467722
Energy: 1.437919843168052
Energy: 1.280088018467722
Energy: 1.3448911074130327
Energy: 1.2110416566689475
Energy: 1.3448911074124703
Energy: 1.211041656668385
Energy: 1.3448911074124703
Energy: 1.211041656668385
Energy: 1.1715348652652504
Energy: 1.6222305079154011
Energy: 1.1715348652652504
Energy: 1.5546658151306352
Energy: 1.1715348652646878
Energy: 1.5546658151317603
Energy: 1.1941813794659477
Energy: 1.318752428660837
Energy: 1.1941813794659477
Energy: 1.318752428660837
Energy: 1.1941813794659477
Energy: 1.318752428660837
Energy: 1.3365853477544194
Energy: 1.1909793641054776
Energy: 1.3365853477549818
Energy: 1.1909793641054776
Energy: 1.3365853477544194
Energy: 1.1909793641054776
Energy: 1.2067129061848105
Energy: 1.5658986388230882
Energy: 1.206712906185373
Energy: 1.5658986388225256
Energy: 1.2067129061859354
Energy: 1.5658986388236507
Energy: 1.1902344454861118
Energy: 1.4023913934100725
Energy: 1.1902344454861118
Energy: 1.4023913934106351
Energy: 1.1902344454866742
Energy: 1.40239139340951
Energy: 1.3366336589507477
Energy: 1.191049736809518
Energy: 1.3366336589513104
Energy: 1.191049736809518
Energy: 1.3366336589507477
Energy: 1.1910497368089557
Energy: 1.1945500425550164
Energy: 1.4027513936186353
Energy: 1.194550042554454
Energy: 1.2549175704174576
Energy: 1.1945500425550164
Energy: 1.25491757041577
Energy: 1.170319348666844
Energy: 1.4042081865251541
Energy: 1.170319348666844
Energy: 1.4042081865251541
Energy: 1.170319348666844
Energy: 1.4042081865251541
Energy: 1.5643979795551641
Energy: 1.2068508733756633
Energy: 1.5643979795546017
Energy: 1.2068508733756633
Energy: 1.5643979795551641
Energy: 1.2068508733751007
Energy: 1.2983069111793604
Energy: 1.2111219145562702
Energy: 1.2983069111793604
Energy: 1.211121914555708
Energy: 1.2983069111793604
Energy: 1.2111219145562702
Energy: 1.232384352288582
Energy: 1.460222237050888
Energy: 1.232384352289707
Energy: 1.4750065973231383
Energy: 1.232384352288582
Energy: 1.475006597323701
Energy: 1.2328283326497889
Energy: 1.2905461480146507
Energy: 1.2328283326497889
Energy: 1.2905461480146507
Energy: 1.232828332646976
Energy: 1.2905461480152134
Energy: 1.4834787076961278
Energy: 1.2140518964741118
Energy: 1.4834787076961278
Energy: 1.2140518964741118
Energy: 1.4834787076961278
Energy: 1.2140518964741118
Energy: 1.1704458529053845
Energy: 1.57989914287669
Energy: 1.1704458529059472
Energy: 1.5798991428761275
Energy: 1.1704458529059472
Energy: 1.57989914287669
Energy: 1.1706397193464935
Energy: 1.468425345194409
Energy: 1.1706397193459308
Energy: 1.4684253451949714
Energy: 1.1706397193464935
Energy: 1.468425345194409
Energy: 1.3360120968363274
Energy: 1.1910994552510403
Energy: 1.3360120968380151
Energy: 1.1910994552510403
Energy: 1.336012096835765
Energy: 1.191099455251603
Energy: 1.283575707021823
Energy: 1.4675388649009247
Energy: 1.283575707022948
Energy: 1.4675388649009247
Energy: 1.2835757070223857
Energy: 1.4675388649009247
Energy: 1.1900253228419646
Energy: 1.4900681727722414
Energy: 1.1900253228419646
Energy: 1.4900681727722414
Energy: 1.1900253228419646
Energy: 1.4900681727722414
Energy: 1.5646692198293068
Energy: 1.1908165805403292
Energy: 1.5646692198281815
Energy: 1.1908165805403292
Energy: 1.5646692198293068
Energy: 1.1908165805403292
Energy: 1.394630194293826
Energy: 1.190994526375709
Energy: 1.3946301942932635
Energy: 1.1909945263762716
Energy: 1.3946301942932635
Energy: 1.190994526376834
Energy: 1.171191715434763
Energy: 1.3105019161276759
Energy: 1.1711917154353255
Energy: 1.3105019161276759
Energy: 1.1711917154342004
Energy: 1.3105019161282383
Energy: 1.5632554868714166
Energy: 1.2217062563375467
Energy: 1.563255486869729
Energy: 1.2217062563375467
Energy: 1.5632554868714166
Energy: 1.2217062563375467
Energy: 1.2972049615129897
Energy: 1.2137043336512952
Energy: 1.2972049615135521
Energy: 1.2137043336507327
Energy: 1.2972049615135521
Energy: 1.2137043336512952
Energy: 1.2320811377906236
Energy: 1.4884461389496582
Energy: 1.232081137790061
Energy: 1.4884461389496582
Energy: 1.2320811377906236
Energy: 1.4884461389502206
Energy: 1.323197038721947
Energy: 1.3494981294383828
Energy: 1.3231970387213845
Energy: 1.3494981294383828
Energy: 1.3231970387225096
Energy: 1.3494981294383828
Energy: 1.3103435402181303
Energy: 1.2109503162213928
Energy: 1.3103435402175678
Energy: 1.2109503162213928
Energy: 1.3103435402175678
Energy: 1.2109503162213928
Energy: 1.171382307501475
Energy: 1.5666504061926543
Energy: 1.171382307501475
Energy: 1.5666504061926543
Energy: 1.171382307501475
Energy: 1.5666504061926543
Energy: 1.1702651637259105
Energy: 1.2408113522782314
Energy: 1.1702651637264732
Energy: 1.2408113522782314
Energy: 1.1702651637264732
Energy: 1.2408113522782314
Energy: 1.3810799748653158
Energy: 1.1907607422008821
Energy: 1.3810799748647533
Energy: 1.19076074220032
Energy: 1.3810799748653158
Energy: 1.19076074220032
Energy: 1.4353249930186402
Energy: 1.1908684641059084
Energy: 1.4353249930180778
Energy: 1.1908684641064708
Energy: 1.4353249930180778
Energy: 1.1908684641064708

minimum gb energy = 1.1702651637259105 eV
minimum distance =  2.29262018096489 Angstroms
sigma value = 33


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

Energy: 0.02052407679884089
Energy: 1.1286358594613977
Energy: 0.020524076798425425
Energy: 1.1286358594609303
Energy: 0.020524076798425425
Energy: 1.1286358594613977
Energy: 0.021264716430844106
Energy: 1.664802005905256
Energy: 0.021264716430844106
Energy: 1.664802005905256
Energy: 0.021264716430844106
Energy: 1.664802005905256
Energy: 1.1300363655936352
Energy: 0.4612219103145407
Energy: 1.1300363657251826
Energy: 0.4612219103136058
Energy: 1.1300363659714514
Energy: 0.4612219103150081
Energy: 0.021264716430376706
Energy: 1.6648020059057234
Energy: 0.021264716430376706
Energy: 1.6648020059057234
Energy: 0.021264716430376706
Energy: 1.664802005905256

minimum gb energy = 0.020524076798425425 eV
minimum distance =  2.46795924571457 Angstroms
sigma value = 1