Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665000349283223
cohesive_energy=4.280336677243816
mass=55.845
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: 0.013154063144620873
Energy: 0.013522435520008584
Energy: 0.4335959133968269
Energy: 0.013522435519537525
Energy: 0.013154063144620873
Energy: 0.013522435520008584
Energy: 0.013522435520507355
Energy: 2.1194159195265105
Energy: 0.013522435519537525
Energy: 2.1194159195265105
Energy: 0.013522435519537525
Energy: 2.1194159195011566
Energy: 0.4335959133958293
Energy: 0.013522435519537525
Energy: 0.013154063144620873
Energy: 0.013522435519537525
Energy: 0.4335959133958293
Energy: 0.013522435519038756
Energy: 0.013522435520008584
Energy: 2.1194159195196662
Energy: 0.013522435519537525
Energy: 2.119415919524072
Energy: 0.013522435520008584
Energy: 2.119415919493841
Energy: 0.013154063144620873
Energy: 0.013522435520008584
Energy: 0.4335959133958293
Energy: 0.013522435519537525
Energy: 0.013154063144620873
Energy: 0.013522435519537525
Energy: 0.013522435519537525
Energy: 2.119415919507973
Energy: 0.013522435519537525
Energy: 2.1194159195075017
Energy: 0.013522435519038756
Energy: 2.119415919465079

minimum gb energy = 0.013154063144620873 eV
minimum distance =  2.36902261654705 Angstroms
sigma value = 1


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

Energy: 1.4338269835706468
Energy: 1.4279259431320803
Energy: 1.2231982152144782
Energy: 1.4279259431320803
Energy: 1.43382698357665
Energy: 1.4279259431320803
Energy: 1.3207977525218457
Energy: 1.4182939408289932
Energy: 1.200277890939433
Energy: 1.4182939408289932
Energy: 1.3207977525314503
Energy: 1.4182939408289932
Energy: 1.1907244303272229
Energy: 1.4177237260700908
Energy: 1.4201470044295121
Energy: 1.4177237260700908
Energy: 1.1907244303260223
Energy: 1.4177237260688902
Energy: 1.1899693625820018
Energy: 1.3716409730962253
Energy: 1.1980873213324836
Energy: 1.371640973093824
Energy: 1.18993659413977
Energy: 1.371640973093824
Energy: 1.4443251361936902
Energy: 1.4288435231227885
Energy: 1.3160983817556386
Energy: 1.428843523121588
Energy: 1.444325136194891
Energy: 1.428843523121588
Energy: 1.438233238847468
Energy: 1.4187685782519324
Energy: 1.1875972313448093
Energy: 1.4187685782519324
Energy: 1.438233238847468
Energy: 1.4187685782519324
Energy: 1.430421876163835
Energy: 1.4186867301884216
Energy: 1.1866849300989715
Energy: 1.4186867301896224
Energy: 1.430421876163835
Energy: 1.4186867301884216
Energy: 1.438494104042482
Energy: 1.4286070416451213
Energy: 1.2045336110333886
Energy: 1.4286070416451213
Energy: 1.438494104042482
Energy: 1.4286070416451213
Energy: 1.3219770064074217
Energy: 1.3715137378263216
Energy: 1.196852649283187
Energy: 1.371513737825121
Energy: 1.3219770081499287
Energy: 1.371513737825121
Energy: 1.4173653002211173
Energy: 1.4174072562149722
Energy: 1.1872477778634503
Energy: 1.4174072562149722
Energy: 1.4173653002211173
Energy: 1.417407256216173
Energy: 1.1895712307433124
Energy: 1.2095930361025284
Energy: 1.2017511327555157
Energy: 1.2095930670858637
Energy: 1.1895712307433124
Energy: 1.2095930325407305
Energy: 1.2002418377858455
Energy: 1.4280257625063162
Energy: 1.200110112551009
Energy: 1.4280257625063162
Energy: 1.2002418377882462
Energy: 1.4280257625063162
Energy: 1.3161245829858998
Energy: 1.2095929438594022
Energy: 1.2766758675943308
Energy: 1.2095929624844173
Energy: 1.3161245829858998
Energy: 1.2095929548435813
Energy: 1.187249924743481
Energy: 1.4174444746142738
Energy: 1.4163380583015095
Energy: 1.4174444746130732
Energy: 1.187249924743481
Energy: 1.4174444746142738
Energy: 1.1970342886405394
Energy: 1.3731654996756197
Energy: 1.4291106715293973
Energy: 1.3731654996744191
Energy: 1.1970342886405394
Energy: 1.3731654996756197
Energy: 1.20434833366497
Energy: 1.4289619302892698
Energy: 1.4390841022261993
Energy: 1.428961930291671
Energy: 1.2043483336793774
Energy: 1.428961930291671
Energy: 1.1866561768620194
Energy: 1.4188703090866244
Energy: 1.4305155366449922
Energy: 1.4188703090866244
Energy: 1.1866561794409622
Energy: 1.4188703090866244
Energy: 1.1874692843549264
Energy: 1.4187852764201234
Energy: 1.4351461247968933
Energy: 1.4187852764201234
Energy: 1.1874692843549264
Energy: 1.4187852764201234
Energy: 1.443459690212862
Energy: 1.4287730563276975
Energy: 1.4396260803505097
Energy: 1.4287730563276975
Energy: 1.4434596902140624
Energy: 1.4287730563276975
Energy: 1.198060402394142
Energy: 1.3731818923319592
Energy: 1.1890121700634217
Energy: 1.3731818923283574
Energy: 1.198060402394142
Energy: 1.3731818923283574
Energy: 1.4199756264045778
Energy: 1.4177640115834786
Energy: 1.1905555944566932
Energy: 1.4177640115834786
Energy: 1.4199756264045778
Energy: 1.4177640115822783
Energy: 1.2007266286924059
Energy: 1.4182744993067578
Energy: 1.3215114160802168
Energy: 1.4182744993067578
Energy: 1.2007266286924059
Energy: 1.4182744993067578
Energy: 1.323881113270148
Energy: 1.4279259431320803
Energy: 1.4338269835694464
Energy: 1.4279259431320803
Energy: 1.3238811132689472
Energy: 1.4279259431320803

minimum gb energy = 1.1866561768620194 eV
minimum distance =  2.31695653096374 Angstroms
sigma value = 33


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

Energy: 1.873858391878956
Energy: 1.499054699740466
Energy: 1.256106346254923
Energy: 1.499054699741149
Energy: 1.8738583918796388
Energy: 1.499054699741149
Energy: 1.3224269144615768
Energy: 1.4782536233659247
Energy: 1.4171406497528263
Energy: 1.4782536233652421
Energy: 1.322426914465674
Energy: 1.4782536233652421
Energy: 1.252020398356289
Energy: 1.4996363571508688
Energy: 1.5371881476997373
Energy: 1.4996363571508688
Energy: 1.252020398356972
Energy: 1.4996363571508688
Energy: 1.363989780939929
Energy: 1.4569489974481813
Energy: 1.3907090356440606
Energy: 1.4569489974468155
Energy: 1.3639897809330999
Energy: 1.4569489974468155
Energy: 1.3794998488581858
Energy: 1.4829727019557204
Energy: 1.4568211539375098
Energy: 1.4829727019557204
Energy: 1.3794998488575028
Energy: 1.4829727019557204
Energy: 1.3834056345885188
Energy: 1.483203354588501
Energy: 1.245324433202994
Energy: 1.4832033545891838
Energy: 1.3834056345557397
Energy: 1.4832033545891838
Energy: 1.3930695105891737
Energy: 1.4821216976372085
Energy: 1.328783240130336
Energy: 1.4821216976378915
Energy: 1.3930695105857591
Energy: 1.4821216976378915
Energy: 1.2500455813116382
Energy: 1.482601251397582
Energy: 1.4187467145773176
Energy: 1.482601251397582
Energy: 1.2500455813116382
Energy: 1.482601251397582
Energy: 1.3732132806766284
Energy: 1.4576839262186199
Energy: 1.3772894780379903
Energy: 1.4576839261687995
Energy: 1.3732132806759454
Energy: 1.457683926168117
Energy: 1.3662436684239312
Energy: 1.4996008843557411
Energy: 1.3617827175319634
Energy: 1.4996008843557411
Energy: 1.3662436684246142
Energy: 1.4996008843557411
Energy: 1.3242768743001967
Energy: 1.486063668371807
Energy: 1.396547022781754
Energy: 1.4860636683724897
Energy: 1.3242768743008795
Energy: 1.4860636683724897
Energy: 1.5393625000364919
Energy: 1.482551946483952
Energy: 1.3090322825889535
Energy: 1.482551946483952
Energy: 1.539362500037175
Energy: 1.482551946483952
Energy: 1.3900041649212576
Energy: 1.4654625506391128
Energy: 1.3319726078823828
Energy: 1.4654625506391128
Energy: 1.3900041649205748
Energy: 1.4654625506391128
Energy: 1.3875353301384366
Energy: 1.4996020921317212
Energy: 1.3880172667370254
Energy: 1.4996020921317212
Energy: 1.387535330142534
Energy: 1.499602092131038
Energy: 1.3951924384193777
Energy: 1.4819263173586181
Energy: 1.4060542815488888
Energy: 1.4819263173586181
Energy: 1.3951924348364348
Energy: 1.4819263173586181
Energy: 1.5485561846633882
Energy: 1.4823375815202124
Energy: 1.3092788248553708
Energy: 1.4823375815208955
Energy: 1.5485561846633882
Energy: 1.4823375815208955
Energy: 1.371698116128824
Energy: 1.4827158512775453
Energy: 1.3624275654597955
Energy: 1.4827158512789114
Energy: 1.3716981131622576
Energy: 1.4827158512789114
Energy: 1.404623881883361
Energy: 1.478068225868397
Energy: 1.37947951731556
Energy: 1.478068225868397
Energy: 1.4046240969413661
Energy: 1.478068225868397
Energy: 1.2504828433227253
Energy: 1.4830416149229941
Energy: 1.3739236427465442
Energy: 1.4830416149223113
Energy: 1.2504828433227253
Energy: 1.4830416149223113
Energy: 1.314032076148781
Energy: 1.4565475612007723
Energy: 1.3801815843499312
Energy: 1.4565475611980405
Energy: 1.3140320762409101
Energy: 1.456547561200089
Energy: 1.544783055892091
Energy: 1.4993527935918984
Energy: 1.2445244719897253
Energy: 1.4993527935918984
Energy: 1.5447830557617195
Energy: 1.4993527935918984
Energy: 1.3234297410768117
Energy: 1.4863783583148102
Energy: 1.381589907148269
Energy: 1.4863783583141272
Energy: 1.3234297410733973
Energy: 1.4863783583141272
Energy: 1.3595910182307054
Energy: 1.4828789005968297
Energy: 1.454013406293383
Energy: 1.4828789005954637
Energy: 1.3595910182300224
Energy: 1.482878900596147
Energy: 1.3736947436872584
Energy: 1.4779127912116798
Energy: 1.4121605779867334
Energy: 1.4779127912109968
Energy: 1.3736947320592923
Energy: 1.4779127912109968
Energy: 1.372769814812696
Energy: 1.4827314524238113
Energy: 1.5368718626135656
Energy: 1.4827314524231283
Energy: 1.3727698148495415
Energy: 1.4827314524217936
Energy: 1.4022171989180587
Energy: 1.4983529748111517
Energy: 1.2997009688137373
Energy: 1.4983529748118347
Energy: 1.4022171989187417
Energy: 1.4983529748111517
Energy: 1.401813543554871
Energy: 1.4982035856404314
Energy: 1.3174712122583663
Energy: 1.4982035856397486
Energy: 1.401813543554188
Energy: 1.4982035856390654
Energy: 1.379898956119889
Energy: 1.4828003555194371
Energy: 1.5380315688027462
Energy: 1.4828003555214857
Energy: 1.3798989562331878
Energy: 1.4828003555180713
Energy: 1.534809509222966
Energy: 1.477981282102565
Energy: 1.3743495943484156
Energy: 1.477981282102565
Energy: 1.534809509223649
Energy: 1.477981282102565
Energy: 1.3609204636291237
Energy: 1.4828859208164922
Energy: 1.541558279330779
Energy: 1.4828859208164922
Energy: 1.3609204636291237
Energy: 1.4828859208164922
Energy: 1.3506162507065684
Energy: 1.4863783583189076
Energy: 1.3843089364492682
Energy: 1.4863783583202734
Energy: 1.3506162507058854
Energy: 1.4863783583202734
Energy: 1.546837693445058
Energy: 1.4993457227422236
Energy: 1.2445272883900667
Energy: 1.4993457227442724
Energy: 1.54683769343618
Energy: 1.4993457227435893
Energy: 1.31333098907739
Energy: 1.4572168362485884
Energy: 1.3965923248354117
Energy: 1.4572168362431255
Energy: 1.3133309943572704
Energy: 1.4572168362431255
Energy: 1.2503322340388396
Energy: 1.4830522962705273
Energy: 1.4600193052381767
Energy: 1.4830522962698443
Energy: 1.2503322340374736
Energy: 1.4830522962698443
Energy: 1.541188944472055
Energy: 1.477875234973807
Energy: 1.405475594203682
Energy: 1.4778752349731241
Energy: 1.541188944471372
Energy: 1.4778752349731241
Energy: 1.38151083317264
Energy: 1.4827315838681916
Energy: 1.361989198643378
Energy: 1.4827315838688746
Energy: 1.3815091836718045
Energy: 1.4827315838688746
Energy: 1.5457841056212185
Energy: 1.4823217112395035
Energy: 1.369595116901368
Energy: 1.4823217112388207
Energy: 1.5457841056219017
Energy: 1.4823217112388207
Energy: 1.5428294072306308
Energy: 1.4815784087390191
Energy: 1.4053177686311957
Energy: 1.481578408739702
Energy: 1.5428294072306308
Energy: 1.481578408739702
Energy: 1.3832342611371264
Energy: 1.4994181779446025
Energy: 1.3914515402824965
Energy: 1.4994181779459683
Energy: 1.3832342611378092
Energy: 1.4994181779459683
Energy: 1.3930531182119443
Energy: 1.4655522245213481
Energy: 1.33399804996232
Energy: 1.4655522245199821
Energy: 1.3930531373955444
Energy: 1.4655522245199821
Energy: 1.5386575897382577
Energy: 1.482563999317361
Energy: 1.369432399548604
Energy: 1.482563999316678
Energy: 1.538657589737575
Energy: 1.482563999316678

minimum gb energy = 1.2445244719897253 eV
minimum distance =  2.30888272652932 Angstroms
sigma value = 51


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

Energy: 1.6425195689484906
Energy: 1.5345180221417047
Energy: 1.3068658669684952
Energy: 1.5345180221432868
Energy: 1.6425195689484906
Energy: 1.5345180221417047
Energy: 1.3337125034335149
Energy: 1.49593883545562
Energy: 1.7178233266509706
Energy: 1.4959388677826762
Energy: 1.333712503435097
Energy: 1.4959388210713098
Energy: 1.258031274056522
Energy: 1.5341020087435944
Energy: 1.6721606445777042
Energy: 1.5341020087451767
Energy: 1.258031274056522
Energy: 1.5341020087435944
Energy: 1.2540375210663581
Energy: 1.4949423108728614
Energy: 1.679298114396803
Energy: 1.4949423108744437
Energy: 1.2540375210663581
Energy: 1.4949423108728614
Energy: 1.2576010845134789
Energy: 1.4936443102618717
Energy: 1.5809156828568074
Energy: 1.4936443102650363
Energy: 1.2576010845134789
Energy: 1.4936443102650363
Energy: 1.641507852315366
Energy: 1.494400881179901
Energy: 1.6886382822163237
Energy: 1.4944008811767366
Energy: 1.6415078523138196
Energy: 1.4944008811767366
Energy: 1.6533670143639356
Energy: 1.493575231786238
Energy: 1.4564470303272727
Energy: 1.4935752317878201
Energy: 1.6533670143639356
Energy: 1.4935752317878201
Energy: 1.2539573071162415
Energy: 1.4934655912258934
Energy: 1.275821980075119
Energy: 1.4934655912211467
Energy: 1.2539573071162415
Energy: 1.4934655912227288
Energy: 1.6397380575947214
Energy: 1.5272069557785068
Energy: 1.276026170078994
Energy: 1.5272069557785068
Energy: 1.6397380575852278
Energy: 1.5272069557785068
Energy: 1.2547626486925252
Energy: 1.5305274759411156
Energy: 1.2754433345850762
Energy: 1.530527475942698
Energy: 1.2547626486925252
Energy: 1.5305274759411156
Energy: 1.6620129898885594
Energy: 1.4941657588102029
Energy: 1.6710306059939057
Energy: 1.4941657588102029
Energy: 1.6620129898901415
Energy: 1.4941657588133674
Energy: 1.6418313379414238
Energy: 1.530866255376637
Energy: 1.6860806128362482
Energy: 1.530866255376637
Energy: 1.641831337943006
Energy: 1.530866255376637
Energy: 1.4505731837871947
Energy: 1.4946150376515477
Energy: 1.6814730579638573
Energy: 1.4946150376515477
Energy: 1.450573183788777
Energy: 1.4946150376515477
Energy: 1.2553991528578305
Energy: 1.5323325571533855
Energy: 1.6726310604877772
Energy: 1.5323325571518032
Energy: 1.2553991528578305
Energy: 1.5323325571518032
Energy: 1.2525866796658347
Energy: 1.5293546771401578
Energy: 1.6822372823358713
Energy: 1.52935467714174
Energy: 1.2525866796642524
Energy: 1.52935467714174
Energy: 1.2571288268834047
Energy: 1.4934636052612917
Energy: 1.672736685380874
Energy: 1.4934636052612917
Energy: 1.2571288268818226
Energy: 1.4934636052612917
Energy: 1.6386781571315807
Energy: 1.5294607976245114
Energy: 1.6810461892218422
Energy: 1.5294607976260934
Energy: 1.6386781571315807
Energy: 1.5294607976245114
Energy: 1.669005371464699
Energy: 1.4945312188301
Energy: 1.6736438302420065
Energy: 1.4945312188332645
Energy: 1.669005371464699
Energy: 1.4945312188316822

minimum gb energy = 1.2525866796642524 eV
minimum distance =  2.30829517578437 Angstroms
sigma value = 19


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

Energy: 1.7286883797293673
Energy: 1.5785059523728302
Energy: 1.3480839031339316
Energy: 1.5785059523718916
Energy: 1.7286883797284285
Energy: 1.5785059523718916
Energy: 1.336422560020012
Energy: 1.5613747137081384
Energy: 1.3234418490726232
Energy: 1.5613747137071998
Energy: 1.3364225600190736
Energy: 1.5613747137081384
Energy: 1.3348869346146663
Energy: 1.5839291743786847
Energy: 1.4881468657246164
Energy: 1.5839291743786847
Energy: 1.3348869346146663
Energy: 1.5839291743786847
Energy: 1.3668896551226883
Energy: 1.5596160694157086
Energy: 1.3240109075206095
Energy: 1.5596160694157086
Energy: 1.3668896551226883
Energy: 1.5596160694166472
Energy: 1.3312119575346741
Energy: 1.5780900200943841
Energy: 1.3737287898247235
Energy: 1.5780900200934453
Energy: 1.3312119575356127
Energy: 1.5780900200934453
Energy: 1.3719927198772177
Energy: 1.5780651097857155
Energy: 1.3312023395968633
Energy: 1.5780651097857155
Energy: 1.371992719950382
Energy: 1.5780651097857155
Energy: 1.4586322910500578
Energy: 1.5593549323106772
Energy: 1.3651946184619959
Energy: 1.5593549323106772
Energy: 1.4586322910491192
Energy: 1.5593549323106772
Energy: 1.4891646077227048
Energy: 1.5835533868452045
Energy: 1.3348800991029897
Energy: 1.583553386846143
Energy: 1.4891646077227048
Energy: 1.583553386846143
Energy: 1.323242068999352
Energy: 1.5614454045098993
Energy: 1.3225576566902293
Energy: 1.5614454045098993
Energy: 1.3232420690002906
Energy: 1.5614454045089607
Energy: 1.3783913895679816
Energy: 1.5785059523728302
Energy: 1.7286883797293673
Energy: 1.5785059523728302
Energy: 1.3783913895679816
Energy: 1.5785059523728302
Energy: 1.3234418490745001
Energy: 1.5613747137081384
Energy: 1.3364225600181348
Energy: 1.5613747137081384
Energy: 1.3234418490726232
Energy: 1.561374713709077
Energy: 1.488146865725555
Energy: 1.5839291743777462
Energy: 1.3348869346137278
Energy: 1.5839291743786847
Energy: 1.4881468657246164
Energy: 1.5839291743777462
Energy: 1.3240109075215483
Energy: 1.5596160694166472
Energy: 1.3205109252211713
Energy: 1.5596160694166472
Energy: 1.3240109075196709
Energy: 1.5596160694166472
Energy: 1.3239793823131443
Energy: 1.5780900200934453
Energy: 1.3312119575356127
Energy: 1.5780900200934453
Energy: 1.323979382292496
Energy: 1.5780900200934453
Energy: 1.3312023395949864
Energy: 1.5780651097857155
Energy: 1.3719927189278296
Energy: 1.5780651097857155
Energy: 1.3312023395949864
Energy: 1.5780651097857155
Energy: 1.3651946184619959
Energy: 1.5593549323106772
Energy: 1.4586322910509966
Energy: 1.5593549323106772
Energy: 1.3651946184619959
Energy: 1.5593549323106772
Energy: 1.3348800991020513
Energy: 1.5835533868452045
Energy: 1.4891646077236433
Energy: 1.5835533868452045
Energy: 1.3348800991020513
Energy: 1.5835533868442875
Energy: 1.3225576566892907
Energy: 1.5614454045089607
Energy: 1.3232420689749498
Energy: 1.5614454045098993
Energy: 1.3225576566892907
Energy: 1.5614454045089607
Energy: 1.7286883797284285
Energy: 1.5785059523718916
Energy: 1.3783913895661046
Energy: 1.5785059523728302
Energy: 1.7286883797284285
Energy: 1.5785059523728302
Energy: 1.336422560020012
Energy: 1.5613747137081384
Energy: 1.3234418490726232
Energy: 1.5613747137081384
Energy: 1.336422560020012
Energy: 1.5613747137081384
Energy: 1.3348869346146663
Energy: 1.5839291743786847
Energy: 1.488146865725555
Energy: 1.5839291743786847
Energy: 1.3348869346146663
Energy: 1.5839291743786847
Energy: 1.3205109252202327
Energy: 1.5596160694166472
Energy: 1.3240109075140398
Energy: 1.5596160694166472
Energy: 1.3205109252202327
Energy: 1.5596160694157086
Energy: 1.3312119575346741
Energy: 1.5780900200934453
Energy: 1.323979382342218
Energy: 1.5780900200943841
Energy: 1.3312119575346741
Energy: 1.5780900200943841
Energy: 1.4026767415001977
Energy: 1.5780651097857155
Energy: 1.3312023395968633
Energy: 1.5780651097857155
Energy: 1.4026767417534787
Energy: 1.5780651097857155
Energy: 1.4586322910491192
Energy: 1.5593549323106772
Energy: 1.4037297071841033
Energy: 1.5593549323106772
Energy: 1.4586322910491192
Energy: 1.5593549323106772
Energy: 1.4891646077236433
Energy: 1.583553386846143
Energy: 1.3348800991029897
Energy: 1.583553386846143
Energy: 1.4891646077245817
Energy: 1.583553386846143
Energy: 1.3232420689758884
Energy: 1.5614454045089607
Energy: 1.3225576566892907
Energy: 1.5614454045089607
Energy: 1.3232420689749498
Energy: 1.5614454045089607
Energy: 1.329980493572842
Energy: 1.5785059523718916
Energy: 1.7286883797293673
Energy: 1.5785059523728302
Energy: 1.3299804935747195
Energy: 1.5785059523728302
Energy: 1.3234418490745001
Energy: 1.5613747137081384
Energy: 1.3364225600190736
Energy: 1.5613747137081384
Energy: 1.3234418490745001
Energy: 1.5613747137081384
Energy: 1.488146865746203
Energy: 1.5839291743777462
Energy: 1.3348869346146663
Energy: 1.5839291743777462
Energy: 1.4881468657405716
Energy: 1.5839291743777462

minimum gb energy = 1.3205109252202327 eV
minimum distance =  2.30013610353524 Angstroms
sigma value = 27


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

Energy: 1.3462559076670668
Energy: 1.5008054769424986
Energy: 1.3713438894194816
Energy: 1.500805476942734
Energy: 1.3462559076665965
Energy: 1.5008054769431778
Energy: 1.2867844365078316
Energy: 1.4250370003452422
Energy: 1.2751075086594228
Energy: 1.4250370003310042
Energy: 1.286784436508981
Energy: 1.4250370003463921
Energy: 1.2893411236706556
Energy: 1.6123089145864464
Energy: 1.2718696341163407
Energy: 1.6123089145866552
Energy: 1.289341123670891
Energy: 1.612308914586211
Energy: 1.338859990780828
Energy: 1.4980188023296697
Energy: 1.2754468628258089
Energy: 1.4980188023303749
Energy: 1.338859990780593
Energy: 1.4980188023303749
Energy: 1.2712941571213392
Energy: 1.5001757394419266
Energy: 1.426191085628625
Energy: 1.5001757394423967
Energy: 1.2712941571218093
Energy: 1.500175739442632
Energy: 1.2779477809693192
Energy: 1.507611720516705
Energy: 1.2767080032247553
Energy: 1.5076117208161202
Energy: 1.2779477809690845
Energy: 1.507611721293863
Energy: 1.2876868454256938
Energy: 1.425637702545578
Energy: 1.2725404465679433
Energy: 1.4256377025469626
Energy: 1.2876868454261639
Energy: 1.425637702545813
Energy: 1.3394142065422683
Energy: 1.4964033223065907
Energy: 1.2754283491384983
Energy: 1.4964033223065907
Energy: 1.3394142065422683
Energy: 1.4964033223065907
Energy: 1.2723695164087403
Energy: 1.4967398593323493
Energy: 1.287680176547416
Energy: 1.496739859335798
Energy: 1.2723695164087403
Energy: 1.4967398593330286
Energy: 1.277323716432404
Energy: 1.6085530599639164
Energy: 1.2773121676668717
Energy: 1.6085530599636813
Energy: 1.2773237164321687
Energy: 1.6085530599634723
Energy: 1.2734958789835333
Energy: 1.4985348618176255
Energy: 1.272235032593444
Energy: 1.498534861817155
Energy: 1.2734958789001172
Energy: 1.49853486181692
Energy: 1.2750593325055388
Energy: 1.4970567627532414
Energy: 1.3397669273377601
Energy: 1.497056762752771
Energy: 1.2750593325055388
Energy: 1.497056762752771

minimum gb energy = 1.2712941571213392 eV
minimum distance =  2.31260418414055 Angstroms
sigma value = 9


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

Energy: 1.3999848818944098
Energy: 1.617228783055614
Energy: 1.3666145862201684
Energy: 1.617228783051768
Energy: 1.399984881853744
Energy: 1.617228783058198
Energy: 1.3963426356167834
Energy: 1.5916052716937934
Energy: 1.3855995489004986
Energy: 1.5916052716931475
Energy: 1.3963426356187212
Energy: 1.5916052716925013
Energy: 1.4105652235298447
Energy: 1.6150773003830483
Energy: 1.3823800583151435
Energy: 1.6150773003830483
Energy: 1.4105652235311363
Energy: 1.6150773003830483
Energy: 1.3600753136730173
Energy: 1.5953316251683292
Energy: 1.359360816528646
Energy: 1.5953316251683292
Energy: 1.3600753136730173
Energy: 1.5953316251683292
Energy: 1.3678103161851827
Energy: 1.596499104425814
Energy: 1.369793310899039
Energy: 1.5964991044271057
Energy: 1.3678103161845365
Energy: 1.5964991044271057
Energy: 1.35718983515274
Energy: 1.5369080856987858
Energy: 1.3861750365601735
Energy: 1.559269338772637
Energy: 1.35718983515274
Energy: 1.5369080856994317
Energy: 1.402991223066973
Energy: 1.5969121375645696
Energy: 1.3914027719554865
Energy: 1.5969121375639237
Energy: 1.4029912230882893
Energy: 1.5969121375639237
Energy: 1.3968070061157565
Energy: 1.5941568502551897
Energy: 1.3990349093914238
Energy: 1.5941568502545438
Energy: 1.396806999161924
Energy: 1.5941568502545438
Energy: 1.392777546725444
Energy: 1.5363072886202147
Energy: 1.3948310101548949
Energy: 1.5363072886182767
Energy: 1.392777546724798
Energy: 1.5363072886189226
Energy: 1.4077058182604936
Energy: 1.6135762341273643
Energy: 1.351151697138849
Energy: 1.613576234129302
Energy: 1.4077058183534525
Energy: 1.6135762341286564
Energy: 1.3790931327570506
Energy: 1.5861941070291417
Energy: 1.3856181575273996
Energy: 1.5861941070278496
Energy: 1.3790931327744913
Energy: 1.5861941070310797
Energy: 1.3991375848168903
Energy: 1.5941780376662549
Energy: 1.3827080872729047
Energy: 1.594178037664963
Energy: 1.3991375848155982
Energy: 1.594178037665609
Energy: 1.3503502594655423
Energy: 1.5372698879408913
Energy: 1.3792728826816858
Energy: 1.5372698879395994
Energy: 1.3503502594655423
Energy: 1.5372698879402453
Energy: 1.4236513231155774
Energy: 1.6133111037709138
Energy: 1.3791179488827696
Energy: 1.6133111037709138
Energy: 1.4236513231149313
Energy: 1.6133111037715597
Energy: 1.3879104306378498
Energy: 1.5933147833373142
Energy: 1.385813043730465
Energy: 1.5933147833353765
Energy: 1.3879104306365577
Energy: 1.5933147833360226
Energy: 1.399733632126878
Energy: 1.5875254705161566
Energy: 1.3823550121780783
Energy: 1.5875254705148647
Energy: 1.399733632126878
Energy: 1.5875254705148647
Energy: 1.4112184545838211
Energy: 1.6125843609017867
Energy: 1.3541268887698774
Energy: 1.6125843609017867
Energy: 1.4112184545676723
Energy: 1.6125843609017867
Energy: 1.3571437402103828
Energy: 1.5323512114031501
Energy: 1.3862777681576093
Energy: 1.5323512114037963
Energy: 1.3571437402077993
Energy: 1.5323512114037963
Energy: 1.3962095682557656
Energy: 1.612497438896751
Energy: 1.3511996115114302
Energy: 1.612497438897397
Energy: 1.3962095682557656
Energy: 1.612497438897397
Energy: 1.3477195172069967
Energy: 1.6111699186887003
Energy: 1.3476943397644285
Energy: 1.623491036984812
Energy: 1.3477195172069967
Energy: 1.6111699186854702
Energy: 1.3514388337241827
Energy: 1.6125948311831824
Energy: 1.394481990441576
Energy: 1.6125948311831824
Energy: 1.3514388337228909
Energy: 1.6125948311838283
Energy: 1.3864389708608178
Energy: 1.5289815595154193
Energy: 1.35744206533261
Energy: 1.528981559519941
Energy: 1.3864389708614637
Energy: 1.528981559518649
Energy: 1.3543336385552323
Energy: 1.6127140470196544
Energy: 1.4100762142294905
Energy: 1.6127140470190084
Energy: 1.3543336385545865
Energy: 1.6127140470190084
Energy: 1.3826150202693617
Energy: 1.5875854986681124
Energy: 1.3996113716565872
Energy: 1.5875854986674665
Energy: 1.3826150202712995
Energy: 1.5875854986674665
Energy: 1.3858134923045293
Energy: 1.5933774505944662
Energy: 1.3872958131541555
Energy: 1.5933774505964042
Energy: 1.3858134923058212
Energy: 1.5933774505957583
Energy: 1.3866773642423795
Energy: 1.6126504803054633
Energy: 1.4260451827309615
Energy: 1.6126504803054633
Energy: 1.3866773642436714
Energy: 1.6126504803054633
Energy: 1.3793136304836424
Energy: 1.5356637376864726
Energy: 1.350330975364184
Energy: 1.5356637376877353
Energy: 1.3793136304862263
Energy: 1.5356637376922568
Energy: 1.3828386773352377
Energy: 1.5940080920117228
Energy: 1.392195606317624
Energy: 1.5940080920110768
Energy: 1.3828386773358836
Energy: 1.5940080920110768
Energy: 1.3863744972398666
Energy: 1.5859954342423352
Energy: 1.4163890455886556
Energy: 1.5859954342391056
Energy: 1.386374497241775
Energy: 1.5859954342416893
Energy: 1.3509771518153226
Energy: 1.6140606186030886
Energy: 1.3982363316549804
Energy: 1.6140606186030886
Energy: 1.3509771518159686
Energy: 1.6140606186024427
Energy: 1.3832205972978058
Energy: 1.5363072886176306
Energy: 1.392025646988617
Energy: 1.5363072886176306
Energy: 1.383220597295222
Energy: 1.5363072886182767
Energy: 1.3993517782462699
Energy: 1.593967940248184
Energy: 1.3931958640664783
Energy: 1.5939679402468918
Energy: 1.399351778245624
Energy: 1.593967940247538
Energy: 1.3944767328713232
Energy: 1.5968373324810439
Energy: 1.417136803265713
Energy: 1.5968373324810439
Energy: 1.3944767328713232
Energy: 1.5968373324803977
Energy: 1.3865449992851908
Energy: 1.573655295891361
Energy: 1.3573046603297771
Energy: 1.5736552958900694
Energy: 1.3865449992858365
Energy: 1.5736552958887775
Energy: 1.3573525658243997
Energy: 1.5960990204140566
Energy: 1.3677851704875865
Energy: 1.5960990204153487
Energy: 1.3573525658205237
Energy: 1.5960990204153487
Energy: 1.3568956814010291
Energy: 1.5953882300074098
Energy: 1.3603078950043892
Energy: 1.595388230008702
Energy: 1.3568956814023208
Energy: 1.5953882300080557
Energy: 1.3823628622133117
Energy: 1.6150533105712594
Energy: 1.4109802636237152
Energy: 1.6150533105725513
Energy: 1.3823628622139577
Energy: 1.6150533105719054
Energy: 1.3860651235330435
Energy: 1.5631478488372623
Energy: 1.400454918456491
Energy: 1.563147848843076
Energy: 1.3860651235323975
Energy: 1.5631478488385542
Energy: 1.3800537032962041
Energy: 1.6172287830588439
Energy: 1.3999848818724472
Energy: 1.6172287830594898
Energy: 1.380053703297496
Energy: 1.6172287830614278
Energy: 1.3855995489011448
Energy: 1.5916052716944393
Energy: 1.3963426356103532
Energy: 1.5916052716944393
Energy: 1.3855995488998527
Energy: 1.5916052716944393
Energy: 1.3823800583151435
Energy: 1.6150773003824024
Energy: 1.4105652235298447
Energy: 1.6150773003817562
Energy: 1.3823800583151435
Energy: 1.6150773003817562
Energy: 1.3593608165267081
Energy: 1.5953316251683292
Energy: 1.3600753136730173
Energy: 1.5953316251676832
Energy: 1.3593608165267081
Energy: 1.5953316251676832
Energy: 1.3818230515149141
Energy: 1.5964991044271057
Energy: 1.3678103161832447
Energy: 1.5964991044283978
Energy: 1.381823051514268
Energy: 1.5964991044283978

minimum gb energy = 1.3476943397644285 eV
minimum distance =  2.29094718598051 Angstroms
sigma value = 57


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

Energy: 1.273312986740744
Energy: 1.5192860450901495
Energy: 1.345619373856523
Energy: 1.5192860450872088
Energy: 1.273312986674608
Energy: 1.5192860450916201
Energy: 1.2672148070601907
Energy: 1.5191918595764313
Energy: 1.2628123403681966
Energy: 1.5191918595837834
Energy: 1.2672148070616611
Energy: 1.5191918595793723
Energy: 1.275827986526117
Energy: 1.4975801475377997
Energy: 1.2617561349463111
Energy: 1.49758014753927
Energy: 1.275827986526117
Energy: 1.4975801475377997
Energy: 1.2812075617707621
Energy: 1.4820275165503018
Energy: 1.2619171801417401
Energy: 1.482027516547361
Energy: 1.2812075617722325
Energy: 1.4820275165488315
Energy: 1.2830977387274392
Energy: 1.508394385514197
Energy: 1.262015907418299
Energy: 1.5083943855127266
Energy: 1.2830977387274392
Energy: 1.508394385514197
Energy: 1.2776425715880535
Energy: 1.4941136075392474
Energy: 1.278278564604167
Energy: 1.4941136075392474
Energy: 1.2776425715851125
Energy: 1.4941136075392474
Energy: 1.2778126573283701
Energy: 1.4928909782717645
Energy: 1.2706805728209625
Energy: 1.4928909782717645
Energy: 1.2778126573283701
Energy: 1.492890978276176
Energy: 1.2831330724473902
Energy: 1.2734156051691783
Energy: 1.2569425819843385
Energy: 1.2734158021441115
Energy: 1.2831330724473902
Energy: 1.2734156664808691
Energy: 1.2813855951572357
Energy: 1.4856134773107759
Energy: 1.2624328779933607
Energy: 1.4856134772461105
Energy: 1.2813855951572357
Energy: 1.4856134772167018
Energy: 1.2759053581098803
Energy: 1.4941296584822388
Energy: 1.261656238854132
Energy: 1.4941296584822388
Energy: 1.2759053581113506
Energy: 1.4941296584837092
Energy: 1.267153414284271
Energy: 1.5191918595793723
Energy: 1.2574062678198201
Energy: 1.5191918595793723
Energy: 1.2671534142857417
Energy: 1.5191918595779017
Energy: 1.2733129797270002
Energy: 1.5192860450916201
Energy: 1.2857406674385645
Energy: 1.5192860450886791
Energy: 1.273312979136122
Energy: 1.5192860450842678
Energy: 1.2672148070601907
Energy: 1.519191859582313
Energy: 1.2628123403667262
Energy: 1.5191918595808427
Energy: 1.2672148070616611
Energy: 1.5191918595852538
Energy: 1.275827986526117
Energy: 1.49758014753927
Energy: 1.2617561349448405
Energy: 1.4975801475377997
Energy: 1.275827986526117
Energy: 1.4975801475377997
Energy: 1.2812075617707621
Energy: 1.4820275165355976
Energy: 1.257386365939503
Energy: 1.4820275165341272
Energy: 1.2812075617707621
Energy: 1.4820275165341272
Energy: 1.2830977387274392
Energy: 1.508394385514197
Energy: 1.262015907418299
Energy: 1.508394385514197
Energy: 1.2830977387274392
Energy: 1.5083943855127266
Energy: 1.277642571592431
Energy: 1.494113607537777
Energy: 1.2782785646026966
Energy: 1.4941136075407178
Energy: 1.2776425715880535
Energy: 1.4941136075392474
Energy: 1.2778126573268997
Energy: 1.4928909782717645
Energy: 1.2706805728209625
Energy: 1.4928909782717645
Energy: 1.2778126573268997
Energy: 1.4928909782702942
Energy: 1.2831330724473902
Energy: 1.2734155168914987
Energy: 1.2569425819843385
Energy: 1.2734158233250332
Energy: 1.2831330724473902
Energy: 1.2734155318626337

minimum gb energy = 1.2569425819843385 eV
minimum distance =  2.32962737137958 Angstroms
sigma value = 11


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

Energy: 1.222756709445768
Energy: 1.446923369014849
Energy: 1.2359593581402004
Energy: 1.4469233690180805
Energy: 1.2227567098484633
Energy: 1.4469233690170034
Energy: 1.1906690332154213
Energy: 1.2582390384404667
Energy: 1.1740929329565661
Energy: 1.2582390505828196
Energy: 1.1906690332154213
Energy: 1.2582390332693691
Energy: 1.2692568661261847
Energy: 1.3869094670230426
Energy: 1.1940195280016066
Energy: 1.386909467090901
Energy: 1.2692568661251076
Energy: 1.3869094672211344
Energy: 1.1904951850923626
Energy: 1.190831503051678
Energy: 1.1739410176460068
Energy: 1.190831498075441
Energy: 1.1904951850912855
Energy: 1.1908314708009493
Energy: 1.1881443242425234
Energy: 1.4479471192422142
Energy: 1.1826941153339832
Energy: 1.4479471192432913
Energy: 1.1881443242425234
Energy: 1.4479471192432913
Energy: 1.1955440154434316
Energy: 1.4342035586031547
Energy: 1.17497772217618
Energy: 1.4342035586020778
Energy: 1.1955440154444599
Energy: 1.4342035586020778
Energy: 1.1991517371644491
Energy: 1.2030103740672635
Energy: 1.1741491204892667
Energy: 1.203010374708932
Energy: 1.199151737165526
Energy: 1.203010372236995
Energy: 1.195958929510833
Energy: 1.4478226878541793
Energy: 1.1991884238260269
Energy: 1.4478226878541793
Energy: 1.1959589295129875
Energy: 1.4478226878541793
Energy: 1.2036221209895264
Energy: 1.4474238893842768
Energy: 1.2380609620900775
Energy: 1.4474238893842768
Energy: 1.203622120988449
Energy: 1.4474238893842768
Energy: 1.191197044439363
Energy: 1.3845542778941535
Energy: 1.1751704423854128
Energy: 1.3845542778930764
Energy: 1.191197044438286
Energy: 1.3845542778930764
Energy: 1.1974153805733376
Energy: 1.4332022514109264
Energy: 1.1726344325465665
Energy: 1.4332022514120035
Energy: 1.1974153805733376
Energy: 1.4332022514109264
Energy: 1.1840768160021786
Energy: 1.4475962336047798
Energy: 1.1753226032473783
Energy: 1.447596233603703
Energy: 1.1840768160021786
Energy: 1.447596233603703
Energy: 1.2020065251978909
Energy: 1.2026248599877727
Energy: 1.1897727273100471
Energy: 1.2026248592944022
Energy: 1.2020065251957366
Energy: 1.2026248599543818
Energy: 1.193968801711489
Energy: 1.2087738618298536
Energy: 1.1869753345854501
Energy: 1.2087738648336914
Energy: 1.1939688006897444
Energy: 1.208773863358676
Energy: 1.1883766244464908
Energy: 1.224524602273393
Energy: 1.1724433771768596
Energy: 1.2245299888052505
Energy: 1.1883766246413514
Energy: 1.2245234654245478
Energy: 1.1982669049179313
Energy: 1.4479801750777834
Energy: 1.1863018621590502
Energy: 1.4479801750799377
Energy: 1.1982669047640013
Energy: 1.4479801750777834
Energy: 1.1900155480836117
Energy: 1.2345326619220796
Energy: 1.183845255323389
Energy: 1.2345326613525291
Energy: 1.1900155480943828
Energy: 1.234532663468136
Energy: 1.1934895224099025
Energy: 1.3872155818110978
Energy: 1.1888668956339725
Energy: 1.3872155818121752
Energy: 1.1934895223969768
Energy: 1.3872155818110978
Energy: 1.1846779760895083
Energy: 1.3861484659330343
Energy: 1.1718896372748928
Energy: 1.3861484659330343
Energy: 1.1846779760841715
Energy: 1.3861484659341112
Energy: 1.1812382282310998
Energy: 1.4476054881873408
Energy: 1.1829946197449583
Energy: 1.4476054881894949
Energy: 1.1812382282310998
Energy: 1.4476054881894949
Energy: 1.23636672253581
Energy: 1.4364059683070305
Energy: 1.1789555115060795
Energy: 1.4364059683059531
Energy: 1.23636672253581
Energy: 1.4364059683059531
Energy: 1.191412353335907
Energy: 1.1966113213979386
Energy: 1.1729153507282823
Energy: 1.196611244560296
Energy: 1.191412353335907
Energy: 1.1966112543964902
Energy: 1.1892381114221997
Energy: 1.4493192602297715
Energy: 1.202466877411734
Energy: 1.4493192602308487
Energy: 1.1892381114232768
Energy: 1.4493192602308487
Energy: 1.1797712472414366
Energy: 1.4476789529528324
Energy: 1.1743848482420802
Energy: 1.4476789529496012
Energy: 1.1797712472414366
Energy: 1.4476789529496012
Energy: 1.1857345938737585
Energy: 1.1804723580116967
Energy: 1.1795837096516433
Energy: 1.1818542063982662
Energy: 1.1857345938737585
Energy: 1.177624521497751
Energy: 1.1903913084441422
Energy: 1.434370498349607
Energy: 1.1730261073626735
Energy: 1.434370498349607
Energy: 1.1903913084441422
Energy: 1.434370498349607

minimum gb energy = 1.1718896372748928 eV
minimum distance =  2.30885584230949 Angstroms
sigma value = 41


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

Energy: 1.4850540261619969
Energy: 1.37517527276125
Energy: 1.164030433041619
Energy: 1.37517527276125
Energy: 1.4850540252183864
Energy: 1.37517527276125
Energy: 1.0773011498356881
Energy: 1.1406682267398136
Energy: 1.074407531092531
Energy: 1.1406682266354695
Energy: 1.0773011557596002
Energy: 1.1406682266227353
Energy: 1.1174258199241567
Energy: 1.3287143413163476
Energy: 1.110617903613056
Energy: 1.3287143413180456
Energy: 1.1174258199233076
Energy: 1.3287143413171965
Energy: 1.1054611085428145
Energy: 1.0905824532030228
Energy: 1.0741905080182654
Energy: 1.09058245281864
Energy: 1.1054611085419659
Energy: 1.0905824529459058
Energy: 1.1469267679205577
Energy: 1.1043554456453704
Energy: 1.0987875496336688
Energy: 1.1043554546402519
Energy: 1.1469267679205577
Energy: 1.1043554489420835
Energy: 1.0922615333647911
Energy: 1.313858557972178
Energy: 1.074468844783121
Energy: 1.3138585579713293
Energy: 1.0922615333647911
Energy: 1.3138585579713293
Energy: 1.0931799630095835
Energy: 1.3264883340820093
Energy: 1.0744727568277759
Energy: 1.3264883340845564
Energy: 1.0931799630087347
Energy: 1.3264883340828584
Energy: 1.153558781934616
Energy: 1.3276907843443406
Energy: 1.0920747862298024
Energy: 1.3276907843451895
Energy: 1.153558781934616
Energy: 1.3276907843443406
Energy: 1.11134495922944
Energy: 1.1050429988544987
Energy: 1.1383025196972618
Energy: 1.105042998850254
Energy: 1.11134495922944
Energy: 1.105042998849405
Energy: 1.09262106401916
Energy: 1.32788233949993
Energy: 1.0896650006966033
Energy: 1.3278823394990809
Energy: 1.0926210640208578
Energy: 1.3278823394990809
Energy: 1.0905641255236909
Energy: 1.3264331568441246
Energy: 1.1065594005258277
Energy: 1.3264331568466716
Energy: 1.0905641255924172
Energy: 1.3264331568577077
Energy: 1.0910951268537594
Energy: 1.3418135109342404
Energy: 1.0921165766789085
Energy: 1.341813510935089
Energy: 1.0910951268537594
Energy: 1.3488903709504514
Energy: 1.1100551443610591
Energy: 1.3163967698166568
Energy: 1.138283666302545
Energy: 1.3163967698183547
Energy: 1.110055144361908
Energy: 1.3163967698175056
Energy: 1.0743737049564281
Energy: 1.3281186431638434
Energy: 1.0746944222620995
Energy: 1.3281186431646923
Energy: 1.0743737049572772
Energy: 1.3281186431646923
Energy: 1.1114373411648226
Energy: 1.3151160151259818
Energy: 1.0742425019909887
Energy: 1.3151160151251327
Energy: 1.1114373411113772
Energy: 1.3151160151251327
Energy: 1.0787684000994524
Energy: 1.349012439585441
Energy: 1.0744221890311667
Energy: 1.3490124395845917
Energy: 1.0787684000773796
Energy: 1.3490124395845917
Energy: 1.0938030631011995
Energy: 1.3379640541991
Energy: 1.0897578467006594
Energy: 1.3379640541923081
Energy: 1.0938030632887408
Energy: 1.337964054193157
Energy: 1.105757393194945
Energy: 1.327467127484313
Energy: 1.090485490678781
Energy: 1.327467127484313
Energy: 1.105757393196643
Energy: 1.32746712748686
Energy: 1.0752965849876128
Energy: 1.1378473496542583
Energy: 1.074528926353241
Energy: 1.1378475420212202
Energy: 1.0752965795966112
Energy: 1.1378474221794446
Energy: 1.0906787940787621
Energy: 1.3496171149826561
Energy: 1.104891327331601
Energy: 1.3496171149818073
Energy: 1.0906787887921046
Energy: 1.3496171149818073
Energy: 1.1085221870540876
Energy: 1.1433524961465518
Energy: 1.0805720537828265
Energy: 1.1433524962645176
Energy: 1.108522187080405
Energy: 1.1433524961448538
Energy: 1.093742260718463
Energy: 1.3273710699368801
Energy: 1.0970275072152467
Energy: 1.3273710699368801
Energy: 1.0937422607226694
Energy: 1.3273710699360308
Energy: 1.0857894415458538
Energy: 1.096302202614736
Energy: 1.0745026261942545
Energy: 1.0963022027954474
Energy: 1.085789441546703
Energy: 1.0963022028081817
Energy: 1.0797125842484647
Energy: 1.2316013583338423
Energy: 1.0943552014955764
Energy: 1.2316014031437068
Energy: 1.0797125846210005
Energy: 1.2316014319604676
Energy: 1.0905127587967278
Energy: 1.3148317108852419
Energy: 1.08079004285177
Energy: 1.314831710886091
Energy: 1.0905127587984258
Energy: 1.3148317108852419
Energy: 1.0799409404317457
Energy: 1.230313034047575
Energy: 1.080178330731247
Energy: 1.2303128098276515
Energy: 1.0799409404317457
Energy: 1.2303129665917527
Energy: 1.1347446193429587
Energy: 1.3257351150800356
Energy: 1.0986135929228407
Energy: 1.3257351150808843
Energy: 1.1347446193455057
Energy: 1.3257351150808843
Energy: 1.0906180922119035
Energy: 1.236149141969222
Energy: 1.0938859998025428
Energy: 1.2361491429119835
Energy: 1.0906180922119035
Energy: 1.2361491417833785
Energy: 1.1017214875614194
Energy: 1.3249030179864318
Energy: 1.0930687473523721
Energy: 1.3249030179864318
Energy: 1.1017214746011201
Energy: 1.3249030179855832
Energy: 1.0808523961635081
Energy: 1.2295068811016758
Energy: 1.1077962013464608
Energy: 1.2295068811067311
Energy: 1.0808523961643572
Energy: 1.2295068811067311
Energy: 1.0909046036821435
Energy: 1.3258312468446944
Energy: 1.0894623581871028
Energy: 1.3258312468446944
Energy: 1.0909046036812944
Energy: 1.3258312468446944
Energy: 1.090210768719573
Energy: 1.3298957811888619
Energy: 1.0760815779946078
Energy: 1.3298957811888619
Energy: 1.090210768720422
Energy: 1.3298957811888619
Energy: 1.0747226903607938
Energy: 1.3250252030595544
Energy: 1.0814838597430783
Energy: 1.3250252030595544
Energy: 1.0747226903607938
Energy: 1.3250252030595544

minimum gb energy = 1.0741905080182654 eV
minimum distance =  2.31018964855461 Angstroms
sigma value = 33


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

Energy: 1.247398123715258
Energy: 1.1827477515904867
Energy: 1.0087465008694279
Energy: 1.182747751706018
Energy: 1.2473981237140663
Energy: 1.182747751529173
Energy: 1.1204027675959032
Energy: 0.9958607319385704
Energy: 0.9498140867013686
Energy: 0.9958604215050895
Energy: 1.1204027899387419
Energy: 0.9958607223218182
Energy: 1.2219780264304898
Energy: 1.1851261000644868
Energy: 0.996587267494971
Energy: 1.1851261000811693
Energy: 1.221978026396529
Energy: 1.185126100063891
Energy: 1.1253277243266975
Energy: 0.9612221983785607
Energy: 0.9496952923409197
Energy: 0.9612535816503704
Energy: 1.1253276983261145
Energy: 0.9612093554137379
Energy: 0.9881638625261213
Energy: 1.1693120704882534
Energy: 0.9626874690181918
Energy: 1.1693120704882534
Energy: 0.9881638644818728
Energy: 1.1693120704882534
Energy: 1.1098390961033904
Energy: 1.1562159192091366
Energy: 0.9505169734746077
Energy: 1.1562159192079449
Energy: 1.1098390960759836
Energy: 1.1562159192079449
Energy: 1.0074663368566747
Energy: 1.1523172217790656
Energy: 0.9538883704138225
Energy: 1.1523172217832363
Energy: 1.0074663368596535
Energy: 1.1523172217850237
Energy: 1.041929038763023
Energy: 1.1327938759371516
Energy: 0.9532028577174645
Energy: 1.132793875938939
Energy: 1.0419290301026978
Energy: 1.132793875938939
Energy: 0.9772489481756501
Energy: 1.173931894014672
Energy: 1.120206519022595
Energy: 1.1739318940140762
Energy: 0.9772489481750543
Energy: 1.1739318940140762
Energy: 1.1061363899174703
Energy: 1.1624601160137935
Energy: 1.1848158863006226
Energy: 1.1624601160131978
Energy: 1.1061363899174703
Energy: 1.1624601160131978
Energy: 0.9743257576997121
Energy: 1.153789018289196
Energy: 1.1182827993702218
Energy: 1.1537890182897919
Energy: 0.9743257577003079
Energy: 1.1537890182880044
Energy: 0.975133042235227
Energy: 1.1788473497200003
Energy: 1.2007739761150416
Energy: 1.1788473497194043
Energy: 0.975133050853846
Energy: 1.1788473497194043
Energy: 1.1127123043694838
Energy: 1.1696892053626862
Energy: 1.1141391399944442
Energy: 1.1696892053626862
Energy: 1.1127123043676963
Energy: 1.1696892053614945
Energy: 1.1414831236649046
Energy: 1.180447480521998
Energy: 1.1348015258036634
Energy: 1.180447480521998
Energy: 1.141483123667288
Energy: 1.180447480521998
Energy: 1.1183940748713983
Energy: 1.153176422273209
Energy: 1.1388427743151204
Energy: 1.1531764222720173
Energy: 1.1183940748708026
Energy: 1.1531764222779755
Energy: 1.1174761445478303
Energy: 1.179875161650254
Energy: 1.2018857607398812
Energy: 1.179875161650254
Energy: 1.1174761445388932
Energy: 1.179875161649658
Energy: 1.1153209712591685
Energy: 1.1698542487029246
Energy: 1.1039211353183935
Energy: 1.1698542487029246
Energy: 1.1153209712591685
Energy: 1.1698542487029246
Energy: 0.9550401691138328
Energy: 1.1808737869616788
Energy: 1.1855032157899652
Energy: 1.1808737869622747
Energy: 0.9550401691138328
Energy: 1.1808737869628703
Energy: 1.113351124364451
Energy: 1.1680672263085492
Energy: 1.117097701410892
Energy: 1.1680672263073575
Energy: 1.1133511243638552
Energy: 1.1680672263079532
Energy: 0.9581774066385245
Energy: 1.1795916625299843
Energy: 0.9536935138589286
Energy: 1.1795916625311758
Energy: 0.9581774066391204
Energy: 1.1795916625311758
Energy: 1.1159320444028018
Energy: 1.1587193730633703
Energy: 1.1181557362326628
Energy: 1.158719373066945
Energy: 1.1159320444033978
Energy: 1.1587193730657532
Energy: 0.9612738019405368
Energy: 1.180462647951299
Energy: 0.9498542544624716
Energy: 1.180462647951299
Energy: 0.9612738019399409
Energy: 1.180462647951299
Energy: 1.1026269469567809
Energy: 1.1687715425215215
Energy: 0.9540129673803001
Energy: 1.1687715425179466
Energy: 1.1026269469508228
Energy: 1.1687715425191383
Energy: 0.9779596949181438
Energy: 1.1790043257186835
Energy: 0.9499844584410032
Energy: 1.1790043257198752
Energy: 0.9779596949181438
Energy: 1.1790043257198752
Energy: 1.114551296742994
Energy: 1.1627135296933817
Energy: 1.0868839030995732
Energy: 1.1627135296945732
Energy: 1.114551296863888
Energy: 1.1627135296933817
Energy: 1.206954106707223
Energy: 1.1805309208835484
Energy: 0.959152600984224
Energy: 1.1805309208853358
Energy: 1.2069541067078189
Energy: 1.1805309208847399
Energy: 1.1175979109833765
Energy: 0.9615145810464266
Energy: 0.9546061854515667
Energy: 0.9615145806920861
Energy: 1.1176089586067859
Energy: 0.961514581023786
Energy: 1.2305454204026383
Energy: 1.1790569911709377
Energy: 1.0822864486282908
Energy: 1.1790569911709377
Energy: 1.2305454203877972
Energy: 1.1790569911715334
Energy: 1.1162223666421967
Energy: 1.152415712438518
Energy: 1.136265070023589
Energy: 1.1524157124397092
Energy: 1.1162223590895777
Energy: 1.1524157124391137
Energy: 1.2046260437894145
Energy: 1.1801869213421619
Energy: 0.994607469112268
Energy: 1.1801869213415659
Energy: 1.204626043787627
Energy: 1.1801869213421619
Energy: 1.119409795897121
Energy: 0.9794650009851803
Energy: 0.954681978063185
Energy: 0.9794649093133211
Energy: 1.1194098863350175
Energy: 0.9794649706287879
Energy: 0.9773194506926596
Energy: 1.1641484454782252
Energy: 0.9735899767368853
Energy: 1.1641484454782252
Energy: 0.9773194506938512
Energy: 1.1641484454782252
Energy: 1.1155087973444646
Energy: 1.137806435753425
Energy: 0.9585905735368772
Energy: 1.137806435753425
Energy: 1.1155087973396982
Energy: 1.1378064357552125
Energy: 0.9604901530904779
Energy: 1.138855164989716
Energy: 1.1105675473756689
Energy: 1.1388551649891205
Energy: 0.9604901530892862
Energy: 1.1388551649885248
Energy: 1.1190249237630137
Energy: 1.143092594185517
Energy: 0.9608317941841775
Energy: 1.1430925941426193
Energy: 1.1190249237647467
Energy: 1.143092594181942
Energy: 0.9578242496332758
Energy: 1.1375743994795111
Energy: 1.1056158618311285
Energy: 1.1375743994783192
Energy: 0.9578242496368506
Energy: 1.1375743994783192
Energy: 0.9626172101720922
Energy: 1.1641601660871894
Energy: 0.9773060359433098
Energy: 1.164160166085998
Energy: 0.962617210178646
Energy: 1.164160166086594
Energy: 0.9563879221899052
Energy: 0.9627470160175042
Energy: 1.1186949972945721
Energy: 0.9627483593670799
Energy: 0.9563879221893093
Energy: 0.9627486375658173
Energy: 0.9946074691158429
Energy: 1.180325168402386
Energy: 1.206234162659612
Energy: 1.180325168402982
Energy: 0.9946074691164387
Energy: 1.180325168402982
Energy: 1.0611391517255753
Energy: 1.1514013668151233
Energy: 1.118309164732122
Energy: 1.1514013668067822
Energy: 1.0611391517267668
Energy: 1.151401366804399
Energy: 1.1446845258017413
Energy: 1.1797372205981005
Energy: 1.2314140313908104
Energy: 1.1797372205981005
Energy: 1.144684525802337
Energy: 1.1797372205986965
Energy: 0.9544152959531804
Energy: 0.961357231437723
Energy: 1.1235360935557939
Energy: 0.9613572301930359
Energy: 0.9544152959531804
Energy: 0.9613572316384005
Energy: 0.959770411744016
Energy: 1.1805540824252019
Energy: 1.2043776298287794
Energy: 1.1805540824252019
Energy: 0.9597704117446119
Energy: 1.1805540824252019
Energy: 1.0641276647375082
Energy: 1.1666047145610077
Energy: 1.1138918863028493
Energy: 1.166604714560412
Energy: 1.0641276647375082
Energy: 1.1666047145610077
Energy: 0.9498450759189279
Energy: 1.1793939743048751
Energy: 0.9774111627232948
Energy: 1.1793939743042792
Energy: 0.9498450759189279
Energy: 1.1793939743048751
Energy: 0.953988452580538
Energy: 1.1687715425179466
Energy: 1.1042074463849203
Energy: 1.168771542516755
Energy: 0.9539884525811337
Energy: 1.1687715425155636
Energy: 0.9500360639063541
Energy: 1.180840750071742
Energy: 0.9631289828156865
Energy: 1.180840750071146
Energy: 0.9500360639069498
Energy: 1.180840750071146

minimum gb energy = 0.9496952923409197 eV
minimum distance =  2.31980546827466 Angstroms
sigma value = 67


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

Energy: 0.336331520652348
Energy: 0.31239676649719356
Energy: 0.8535046826541162
Energy: 0.3123967664967863
Energy: 0.3363315206519408
Energy: 0.31239676649719356
Energy: 0.2970975651011021
Energy: 0.7631631908448846
Energy: 0.6911969031406352
Energy: 0.7631631908452917
Energy: 0.2970975651011021
Energy: 0.7631631908456991
Energy: 0.336331520652348
Energy: 0.3123967664967863
Energy: 0.8535046826541162
Energy: 0.3123967664975556
Energy: 0.336331520652348
Energy: 0.31239676649719356
Energy: 0.29709756510150925
Energy: 0.7631631908452917
Energy: 0.6911969031402506
Energy: 0.7631631908456991
Energy: 0.29709756510150925
Energy: 0.7631631908452917
Energy: 0.3363315206519408
Energy: 0.3123967664967863
Energy: 1.3688718024044593
Energy: 0.3123967664967863
Energy: 0.3363315206519408
Energy: 0.3123967664967863
Energy: 0.2970975651011021
Energy: 0.7631631908448846
Energy: 0.6911969031398434
Energy: 0.7631631908452917
Energy: 0.2970975651011021
Energy: 0.7631631908452917
Energy: 0.33633152065271005
Energy: 0.3123967664967863
Energy: 1.4415522854575782
Energy: 0.31239676649719356
Energy: 0.336331520652348
Energy: 0.31239676649719356

minimum gb energy = 0.2970975651011021 eV
minimum distance =  2.42961998933387 Angstroms
sigma value = 3


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

Energy: 1.4309274209874523
Energy: 0.9232665068314042
Energy: 1.0984951332609514
Energy: 0.9232665069478576
Energy: 1.4309274209565654
Energy: 0.9232665068633255
Energy: 1.1174895558658648
Energy: 0.9064875889663683
Energy: 0.8869910024070033
Energy: 0.9064875889690776
Energy: 1.1174876228263257
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Energy: 1.1533684918511877
Energy: 0.8926956390830854
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Energy: 1.1256470897528787
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Energy: 1.1493920369249526
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Energy: 1.163762321061011
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Energy: 1.1247004814552233
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Energy: 1.1637623207885475
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Energy: 1.179279517608583
Energy: 1.1493811892177699
Energy: 0.8904403126242217
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Energy: 1.1792792247683739
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Energy: 1.1506063432967628
Energy: 0.8925367981009951
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Energy: 0.8887436417671183
Energy: 0.8975288840291633
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Energy: 0.8899122938505984
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Energy: 1.127860711554725
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Energy: 1.1223846192558207
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Energy: 0.8869650075104277
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Energy: 1.122384605321795
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Energy: 1.1084822361673672
Energy: 1.1084504566898463
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Energy: 1.1084504566893043
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Energy: 0.8981729167947838
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Energy: 0.8981729168212864
Energy: 0.9011092898894263
Energy: 1.120813130025953
Energy: 1.106231594540618
Energy: 1.1208131300270365
Energy: 0.9011092898905101
Energy: 1.120813130024869
Energy: 1.098840188307262
Energy: 1.151193999099802
Energy: 1.1262550868272045
Energy: 1.1511939990976345
Energy: 1.0988401883083458
Energy: 1.1511939990981763
Energy: 0.8930209990251365
Energy: 0.8919568384202572
Energy: 1.1156050566108435
Energy: 0.8919568384218828
Energy: 0.8930209990262202
Energy: 0.8919568384224247
Energy: 0.8981114605214899
Energy: 0.8994848226205717
Energy: 1.1443370707406755
Energy: 0.8994848226871728
Energy: 0.8981114605193223
Energy: 0.8994848227305228
Energy: 0.8899061411245711
Energy: 0.9070308198332946
Energy: 1.1247843366763621
Energy: 0.907030819682703
Energy: 0.8899061411224037
Energy: 0.9070308200407335
Energy: 0.9008005107322185
Energy: 1.1503800446405177
Energy: 1.195553681332475
Energy: 1.1503800446416013
Energy: 0.9008005107343859
Energy: 1.1503800446416013
Energy: 0.893495924792828
Energy: 0.9137283979203547
Energy: 1.1453125340252475
Energy: 0.913728397923064
Energy: 0.8934959247944536
Energy: 0.913728397922522
Energy: 0.8975006126068472
Energy: 1.171061485583048
Energy: 1.169565015046186
Energy: 1.1710614855835897
Energy: 0.8975006126063052
Energy: 1.171061485583048
Energy: 0.8898919092587082
Energy: 0.897479061222309
Energy: 1.1343231286813802
Energy: 0.8974790612168901
Energy: 0.8898919092587082
Energy: 0.897479061235314
Energy: 0.9116961053799044
Energy: 1.1516883763640842
Energy: 1.1351373583014692
Energy: 1.1516883763630004
Energy: 0.91169610538153
Energy: 1.1516883763635422
Energy: 0.8936398019904295
Energy: 0.8961566322292347
Energy: 1.141398654470103
Energy: 0.896156632227609
Energy: 0.8936398019909713
Energy: 0.8961566322292347
Energy: 0.8983756771692273
Energy: 0.899241643657385
Energy: 1.163002927957188
Energy: 0.8992416436579268
Energy: 0.8983756771676016
Energy: 0.8992416436552175
Energy: 0.8898551223044521
Energy: 0.8924821893548209
Energy: 1.12760645393731
Energy: 0.892482189354279
Energy: 0.8898551223044521
Energy: 0.8924821893548209
Energy: 1.114621944058967
Energy: 0.8889787958612985
Energy: 1.1255757791904673
Energy: 0.8889787958640079
Energy: 1.1146219440562577
Energy: 0.888978795862924

minimum gb energy = 0.8868364709967548 eV
minimum distance =  2.33540470256544 Angstroms
sigma value = 81


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

Energy: 1.527914259824725
Energy: 1.0291998788284988
Energy: 1.2292357957828068
Energy: 1.029199876670477
Energy: 1.5279142597957538
Energy: 1.0291998786486214
Energy: 1.0906123949960365
Energy: 1.0136482558993278
Energy: 0.9858540746340237
Energy: 1.0136482559023026
Energy: 1.090612392693058
Energy: 1.0136482558658946
Energy: 1.4804642196487918
Energy: 0.9959630712008205
Energy: 1.1849289159455287
Energy: 0.9959630721196455
Energy: 1.4804642194488
Energy: 0.9959630714216021
Energy: 1.0779740873317687
Energy: 0.9883232667035567
Energy: 0.989984428776861
Energy: 0.9883232667065317
Energy: 1.077974329043802
Energy: 0.9883232667065317
Energy: 1.1340674269348605
Energy: 0.9954237953975341
Energy: 1.074271267189737
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Energy: 0.9954237954027062
Energy: 1.072893102002577
Energy: 0.9872278846299553
Energy: 1.0741724994119957
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Energy: 1.0728931019996022
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Energy: 0.9930300391982219
Energy: 1.0800938923134733
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Energy: 0.9930300392093775
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Energy: 0.9905744055961536
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Energy: 0.9944591579401076
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Energy: 0.9944591579066744
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Energy: 1.2947878130616708
Energy: 1.3546119691941152
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Energy: 0.9923531365927966
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Energy: 0.9914125669414136
Energy: 0.9913932107219566
Energy: 1.182944453414763
Energy: 0.9913932086397262
Energy: 0.9914125669421573
Energy: 0.9913932116474752
Energy: 1.0718958330369235
Energy: 1.2858333878798323
Energy: 1.112476976282743
Energy: 1.2858333878828068
Energy: 1.0718958330369235
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Energy: 1.0727253752099113
Energy: 1.0056376686547333
Energy: 1.0801636831604
Energy: 1.0056376686696076
Energy: 1.0727253752099113
Energy: 1.0056376686547333
Energy: 1.0743350411444978
Energy: 1.295176854632902
Energy: 1.1056800946306866
Energy: 1.2951768546321583
Energy: 1.0743350411444978
Energy: 1.2951768546321583
Energy: 1.0736239916653012
Energy: 0.9875223336903776
Energy: 1.0799801276230152
Energy: 0.9875223329945653
Energy: 1.0736239916645574
Energy: 0.9875223339587569
Energy: 1.0833762606741442
Energy: 1.2702626718630838
Energy: 1.074193664523358
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Energy: 1.0833762606332398
Energy: 1.2702626718615966
Energy: 1.0834110333202898
Energy: 1.2837365473201938
Energy: 1.0691915207450482
Energy: 1.28373654731945
Energy: 1.0834110316580887
Energy: 1.2837365473201938
Energy: 1.1111965764797453
Energy: 1.2948065115157936
Energy: 0.9902075603882383
Energy: 1.2948065115157936
Energy: 1.1111965766403198
Energy: 1.2948065115157936
Energy: 1.1133477496380733
Energy: 1.2864597289058162
Energy: 1.0922387725080833
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Energy: 1.1133477492923816
Energy: 1.28645972890656
Energy: 1.1129015210614792
Energy: 0.9913572710287537
Energy: 0.9872112182567594
Energy: 0.9913572710280102
Energy: 1.1129003664263686
Energy: 0.9913572710272665
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Energy: 0.9921395942311674
Energy: 0.9872382597848551
Energy: 0.9921395938185752
Energy: 1.1121750827835601
Energy: 0.9921395936609754
Energy: 1.1114976875271447
Energy: 1.285313115049733
Energy: 1.1625972462845215
Energy: 1.285313115049733
Energy: 1.1114976875308635
Energy: 1.285313115049733
Energy: 1.1132993955565758
Energy: 1.2952301787178535
Energy: 0.9902439838678997
Energy: 1.2952301787171099
Energy: 1.1132993937917757
Energy: 1.2952301787171099
Energy: 1.0841281456145135
Energy: 1.281438031827215
Energy: 1.0690685079757287
Energy: 1.2814380318287022
Energy: 1.0841281456145135
Energy: 1.2814380318287022
Energy: 1.0838281600437278
Energy: 1.2700353166875378
Energy: 1.0741319553193653
Energy: 1.270035316684563
Energy: 1.0838281599047208
Energy: 1.270035316684563
Energy: 1.0738124011672614
Energy: 0.9930602665295135
Energy: 1.078413057993381
Energy: 0.9930602665265384
Energy: 1.0738124011672614
Energy: 0.993060266531001
Energy: 1.074190441206781
Energy: 1.294822360945671
Energy: 1.1053793103064784
Energy: 1.2948223609464147
Energy: 1.074190441206781
Energy: 1.2948223609464147
Energy: 1.0723215944125708
Energy: 1.005637668652502
Energy: 1.0774812661487008
Energy: 1.0056376686487833
Energy: 1.0723215944133146
Energy: 1.0056376686591955
Energy: 1.0720768874021065
Energy: 1.2859464023996228
Energy: 1.1101299130441222
Energy: 1.2859464024003664
Energy: 1.0720768874028503
Energy: 1.2859464024003664
Energy: 0.9912182746660602
Energy: 0.9922603948448651
Energy: 1.0934051130006297
Energy: 0.992260394836684
Energy: 0.9912182746660602
Energy: 0.9922603948441213
Energy: 0.9924581458917249
Energy: 1.2950045275678814
Energy: 1.369271687186337
Energy: 1.2950045275671378
Energy: 0.9924581458924686
Energy: 1.2950045275671378
Energy: 0.9972150710192256
Energy: 0.9978229783133659
Energy: 1.0236651392987977
Energy: 0.997822978261306
Energy: 0.9972150710192256
Energy: 0.9978229783118785
Energy: 1.0879334022379403
Energy: 1.2857299277863548
Energy: 1.1111983171742466
Energy: 1.285729927785611
Energy: 1.0879334022371965
Energy: 1.285729927785611
Energy: 0.9986541156516483
Energy: 0.9930550052145806
Energy: 1.0836138324097455
Energy: 0.9930550054242065
Energy: 0.9986541156516483
Energy: 0.9930550054613584
Energy: 1.073718282028851
Energy: 0.9912706871858553
Energy: 1.1119759215462641
Energy: 0.9912706871851116
Energy: 1.0737182820273634
Energy: 0.9912706871851116
Energy: 1.1070573803186354
Energy: 0.9913536948988507
Energy: 1.0776308004817843
Energy: 0.9913536948676147
Energy: 1.1070573803193793
Energy: 0.9913536948601774

minimum gb energy = 0.9858540746340237 eV
minimum distance =  2.32842849368996 Angstroms
sigma value = 43


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

Energy: 1.6955021400851606
Energy: 1.3604919255362764
Energy: 1.3305502381749468
Energy: 1.3604919255371692
Energy: 1.6955021400860741
Energy: 1.3604919255371692
Energy: 1.174260421270454
Energy: 1.1008085410738817
Energy: 1.0532477559562718
Energy: 1.100808541072968
Energy: 1.174260421270454
Energy: 1.100808541072968
Energy: 1.2515368131951208
Energy: 1.063391399365271
Energy: 1.158649414018726
Energy: 1.0633913993616169
Energy: 1.2515368131951208
Energy: 1.063391399363444
Energy: 1.1678447791439301
Energy: 1.0529354432164666
Energy: 1.060949881957681
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Energy: 1.1678447791548925
Energy: 1.0529354432164666
Energy: 1.1970941877655525
Energy: 1.0560341339962382
Energy: 1.065663780521895
Energy: 1.0560341339953248
Energy: 1.1970941877655525
Energy: 1.0560341339953248
Energy: 1.1590480870278912
Energy: 1.0520283684835996
Energy: 1.170180289907026
Energy: 1.0520283682717668
Energy: 1.1590480870178423
Energy: 1.0520283684845129
Energy: 1.0630210623166745
Energy: 1.0525652772232
Energy: 1.1753336210465526
Energy: 1.052565277225006
Energy: 1.0630210623166745
Energy: 1.052565277226833
Energy: 1.1821844501123742
Energy: 1.0608966863499625
Energy: 1.2338364169063358
Energy: 1.060896686349049
Energy: 1.1821844501114604
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Energy: 1.057218175304341
Energy: 1.0579335723748844
Energy: 1.0541454344825973
Energy: 1.0579335723748844
Energy: 1.0572181753034275
Energy: 1.057933572375798
Energy: 1.0592706711730344
Energy: 1.3773516360071798
Energy: 1.1023061433570878
Energy: 1.3773516360071798
Energy: 1.0592706711730344
Energy: 1.3773516360071798
Energy: 1.0525922017588552
Energy: 1.0566912850236077
Energy: 1.1761183674281361
Energy: 1.0566912856910997
Energy: 1.0525922017588552
Energy: 1.0566912851779302
Energy: 1.1590705826714007
Energy: 1.0616378218500326
Energy: 1.2285735898369814
Energy: 1.0616378218472922
Energy: 1.159070582670487
Energy: 1.0616378218500326
Energy: 1.1602733980316535
Energy: 1.055275302735719
Energy: 1.1671017385290703
Energy: 1.055275302732065
Energy: 1.160273398032567
Energy: 1.055275302735719
Energy: 1.165560299595679
Energy: 1.3771558145037344
Energy: 1.1705089055379005
Energy: 1.3771558145037344
Energy: 1.1655602995965926
Energy: 1.3771558145037344
Energy: 1.1656382436350872
Energy: 1.0524835507116077
Energy: 1.1589432186509574
Energy: 1.0524835507161754
Energy: 1.1656382436341737
Energy: 1.0524835507161754
Energy: 1.1757569318298788
Energy: 1.053909589581776
Energy: 1.0608747862667753
Energy: 1.053909589583603
Energy: 1.1757569318289653
Energy: 1.0539095895826893
Energy: 1.1749087204058155
Energy: 1.0611217665019292
Energy: 1.1721924867663427
Energy: 1.0611217664845725
Energy: 1.174908720406729
Energy: 1.0611217665329682
Energy: 1.2333566864843075
Energy: 1.0673796821980734
Energy: 1.051851713334384
Energy: 1.0673796826865987
Energy: 1.2333566864843075
Energy: 1.0673796821624668
Energy: 1.2336952517235762
Energy: 1.0662833700156449
Energy: 1.0523416344688767
Energy: 1.0662834204231753
Energy: 1.2336952513720163
Energy: 1.0662835197526255
Energy: 1.1753013059974262
Energy: 1.057730506975541
Energy: 1.0527481898930584
Energy: 1.0577305068979332
Energy: 1.1753013059983395
Energy: 1.0577305069581844
Energy: 1.1759270154522412
Energy: 1.4245550812244683
Energy: 1.0616238713241783
Energy: 1.4245550812262955
Energy: 1.1759270154522412
Energy: 1.4245550812262955
Energy: 1.1651478022977655
Energy: 1.052585672455436
Energy: 1.158125352769585
Energy: 1.0525856724353593
Energy: 1.165147802296852
Energy: 1.0525856724545226
Energy: 1.1657337075810839
Energy: 1.3768108402262467
Energy: 1.1680309531968214
Energy: 1.3768108402262467
Energy: 1.1657337075801701
Energy: 1.3768108402253332
Energy: 1.1592862429644346
Energy: 1.3845084249590494
Energy: 1.1655292933830967
Energy: 1.3845084249590494
Energy: 1.1592862429644346
Energy: 1.3845084249590494
Energy: 1.1599802981298144
Energy: 1.4242258772240406
Energy: 1.2268897512853036
Energy: 1.4242258772222134
Energy: 1.159980298128901
Energy: 1.4242258772222134
Energy: 1.0525460727656337
Energy: 1.0598772454601382
Energy: 1.1765486522444082
Energy: 1.0598772454637921
Energy: 1.0525460727656337
Energy: 1.0598772454692733
Energy: 1.0560558453762068
Energy: 1.376457441406901
Energy: 1.1024867172426114
Energy: 1.3764574414078146
Energy: 1.0560558453762068
Energy: 1.3764574414078146
Energy: 1.055916399256487
Energy: 1.0608328724672575
Energy: 1.1044654674876926
Energy: 1.0608328724617764
Energy: 1.055916399256487
Energy: 1.06083287246269
Energy: 1.186860428647112
Energy: 1.061843609528487
Energy: 1.2268751965090434
Energy: 1.0618436095302932
Energy: 1.1868604286461983
Energy: 1.061843609528487
Energy: 1.0626240235495756
Energy: 1.0523509115905894
Energy: 1.175591794176926
Energy: 1.0523509115887624
Energy: 1.0626240235504893
Energy: 1.0523509115905894
Energy: 1.1629267194776536
Energy: 1.052315248878627
Energy: 1.1678238853234844
Energy: 1.0523152488777134
Energy: 1.1629267194785673
Energy: 1.0523152488795406

minimum gb energy = 1.051851713334384 eV
minimum distance =  2.32093098270488 Angstroms
sigma value = 57


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

Energy: 1.214053208878107
Energy: 1.1337760315766463
Energy: 1.2745927993310118
Energy: 1.1337760315754635
Energy: 1.214053208878107
Energy: 1.1337760315671839
Energy: 1.137597914167265
Energy: 1.22804063096821
Energy: 1.1362958372395944
Energy: 1.228040630975307
Energy: 1.1375979141684478
Energy: 1.2280406309764897
Energy: 1.1383613696806651
Energy: 1.1369542622537407
Energy: 1.2742333234707963
Energy: 1.1369542622466442
Energy: 1.138361369681848
Energy: 1.1369542622750048
Energy: 1.1465093287316659
Energy: 1.1376214770445692
Energy: 1.1358479726628745
Energy: 1.1376214770445692
Energy: 1.1465093287316659
Energy: 1.1376214770445692
Energy: 1.1331873953320164
Energy: 1.149531322863081
Energy: 1.293479953720132
Energy: 1.149531322863081
Energy: 1.1331873953320164
Energy: 1.149531322861898
Energy: 1.1461250302722559
Energy: 1.1484901780073795
Energy: 1.1356730369329058
Energy: 1.1484901788680906
Energy: 1.1461250302722559
Energy: 1.148490177736623
Energy: 1.1372907540542896
Energy: 1.1382473503849844
Energy: 1.1351446112079073
Energy: 1.1382473503731563
Energy: 1.1372907540542896
Energy: 1.1382473510376012
Energy: 1.1444440593160745
Energy: 1.1387264251568912
Energy: 1.2116617551178561
Energy: 1.1387264251545253
Energy: 1.1444440593172573
Energy: 1.1387264251592566
Energy: 1.1335364182266738
Energy: 1.228282503165174
Energy: 1.2892827707974404
Energy: 1.2282825031545288
Energy: 1.1335364182266738
Energy: 1.2282825031840992
Energy: 1.1374458133934264
Energy: 1.240376990468737
Energy: 1.135695426994992
Energy: 1.2403769904970974
Energy: 1.1374458133934264
Energy: 1.2403769905467756
Energy: 1.1371407912108051
Energy: 1.1374895973555763
Energy: 1.1442104234429988
Energy: 1.1374895973555763
Energy: 1.1371407912108051
Energy: 1.1374895973543935
Energy: 1.1368426449078861
Energy: 1.139706399634269
Energy: 1.1360676287370128
Energy: 1.1397063996319037
Energy: 1.1368426449078861
Energy: 1.139706399628355
Energy: 1.1335077193623857
Energy: 1.1481784983909067
Energy: 1.202915494609753
Energy: 1.1481784985895387
Energy: 1.1335077193635683
Energy: 1.1481784985623609
Energy: 1.1364548363187712
Energy: 1.130483170161369
Energy: 1.1398318776801912
Energy: 1.1304815297486441
Energy: 1.1364548363235027
Energy: 1.1304821938724203
Energy: 1.133817410621402
Energy: 1.1404512880724047
Energy: 1.1463609124399972
Energy: 1.140451288185901
Energy: 1.133817410621402
Energy: 1.140451288071222
Energy: 1.1367213560746328
Energy: 1.1409396639442457
Energy: 1.1358721647255634
Energy: 1.1409396843812518
Energy: 1.1367213560758154
Energy: 1.1409396177440028
Energy: 1.1339533563706963
Energy: 1.1365596279422383
Energy: 1.1371195195958652
Energy: 1.1365596279304102
Energy: 1.1339533563706963
Energy: 1.1365596279469694
Energy: 1.1381808740641284
Energy: 1.1769017707066243
Energy: 1.1380885415417203
Energy: 1.1769017703566464
Energy: 1.1381808740629455
Energy: 1.1769017705103584
Energy: 1.136488314665569
Energy: 1.1379751964275104
Energy: 1.1337597607003742
Energy: 1.1379751966805247
Energy: 1.136488314665569
Energy: 1.1379751966190457
Energy: 1.136142751875374
Energy: 1.1404565553512251
Energy: 1.1366860916153847
Energy: 1.140456555153776
Energy: 1.1361427518741913
Energy: 1.1404565574521415
Energy: 1.146504729122613
Energy: 1.1398921501002317
Energy: 1.1341318952565902
Energy: 1.1398921501014145
Energy: 1.146504729122613
Energy: 1.1398921501061459
Energy: 1.1399027953571348
Energy: 1.1388704870038762
Energy: 1.135928048891361
Energy: 1.1388704870074244
Energy: 1.1399027953583176
Energy: 1.1388704870038762
Energy: 1.234687031088311
Energy: 1.1482529507244033
Energy: 1.13361579501175
Energy: 1.148252950720855
Energy: 1.234687031088311
Energy: 1.1482529507315002
Energy: 1.135950807461692
Energy: 1.1352194298978715
Energy: 1.1365755294058175
Energy: 1.1352194299227105
Energy: 1.135950807461692
Energy: 1.1352194299120653

minimum gb energy = 1.1304815297486441 eV
minimum distance =  2.32746609461425 Angstroms
sigma value = 17


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

Energy: 1.209727564834404
Energy: 1.2109272135701
Energy: 1.557584717017912
Energy: 1.2109272135701
Energy: 1.209727564834404
Energy: 1.2109272135701
Energy: 1.2009719707354143
Energy: 1.2163681619055873
Energy: 1.2132880581593348
Energy: 1.2163681619072602
Energy: 1.2009719707354143
Energy: 1.2163681619055873
Energy: 1.2055841856237084
Energy: 1.2061042290566666
Energy: 1.3928679630574317
Energy: 1.2061042290583393
Energy: 1.2055841856220357
Energy: 1.2061042290583393
Energy: 1.2392318363447135
Energy: 1.208300124030447
Energy: 1.208511100046823
Energy: 1.208300124030447
Energy: 1.2392318363447135
Energy: 1.208300124030447
Energy: 1.2143350928290577
Energy: 1.2137195055835892
Energy: 1.2026543917875276
Energy: 1.2137195055835892
Energy: 1.214335092827385
Energy: 1.2137195055835892
Energy: 1.2140093438659285
Energy: 1.2108371324835587
Energy: 1.2130267361351361
Energy: 1.2108371324835587
Energy: 1.2140093438642559
Energy: 1.2108371324835587
Energy: 1.2142194504740333
Energy: 1.401494946818476
Energy: 1.1990974188823984
Energy: 1.4014949468201485
Energy: 1.2142194504740333
Energy: 1.401494946818476
Energy: 1.2182712683734134
Energy: 1.3352093439682082
Energy: 1.2091926057203264
Energy: 1.3352093439682082
Energy: 1.2182712683750858
Energy: 1.3352093439698813
Energy: 1.2141452995092488
Energy: 1.2114762926951137
Energy: 1.3996517421002925
Energy: 1.2114762926951137
Energy: 1.2141452995092488
Energy: 1.2114762926951137
Energy: 1.2104490422816512
Energy: 1.191002394649256
Energy: 1.213183706974291
Energy: 1.191002394649256
Energy: 1.2104490422816512
Energy: 1.191002394649256
Energy: 1.2199203358363473
Energy: 1.207202513038197
Energy: 1.2155110628551478
Energy: 1.207202513038197
Energy: 1.21992033583802
Energy: 1.2072025130398696
Energy: 1.2179624946965932
Energy: 1.2087065670529897
Energy: 1.217758206839793
Energy: 1.2087065670546624
Energy: 1.2179624946965932
Energy: 1.2087065670546624
Energy: 1.2139962644282665
Energy: 1.3207397057772094
Energy: 1.2210211255411114
Energy: 1.3207397057788821
Energy: 1.2139962644282665
Energy: 1.3207397057772094
Energy: 1.2170834362206262
Energy: 1.2159541341484978
Energy: 1.2171720602755918
Energy: 1.2159541341484978
Energy: 1.2170834362206262
Energy: 1.215954134146825
Energy: 1.2139257561753096
Energy: 1.3067728938813565
Energy: 1.2103810971025877
Energy: 1.3067728938813565
Energy: 1.2139257561769825
Energy: 1.3067728938813565
Energy: 1.2190152323896897
Energy: 1.2136671939908623
Energy: 1.2291333954733061
Energy: 1.2136671940159536
Energy: 1.2190152323896897
Energy: 1.2136671940661359
Energy: 1.2081612522473715
Energy: 1.213253105354335
Energy: 1.2216164801357778
Energy: 1.213253105354335
Energy: 1.2081612522540623
Energy: 1.213253105354335

minimum gb energy = 1.191002394649256 eV
minimum distance =  2.30950878059646 Angstroms
sigma value = 17


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

Energy: 1.7301682015999367
Energy: 1.1878537806285918
Energy: 1.6720139702911971
Energy: 1.1878537806311755
Energy: 1.7301682015986448
Energy: 1.1878537806285918
Energy: 1.468424790292167
Energy: 1.2043442410561067
Energy: 1.18308729356441
Energy: 1.2043442409553962
Energy: 1.468424790292167
Energy: 1.2043442409024572
Energy: 1.1843629696548204
Energy: 1.2948255764369074
Energy: 1.1835643965788605
Energy: 1.2948255764369074
Energy: 1.1843629696541744
Energy: 1.2948255764375534
Energy: 1.1990023697490786
Energy: 1.1861292745582248
Energy: 1.2960147735997618
Energy: 1.186129274557579
Energy: 1.1990023697529542
Energy: 1.1861292745556413
Energy: 1.1847551046037863
Energy: 1.2403734070316952
Energy: 1.5076717966122037
Energy: 1.2403734070297572
Energy: 1.1847551046037863
Energy: 1.2403734070316952
Energy: 1.323111225448699
Energy: 1.1853466225955682
Energy: 1.3226208176284802
Energy: 1.1853466225871705
Energy: 1.3231112254474073
Energy: 1.1853466225923381
Energy: 1.1832212288097887
Energy: 1.3233386119178336
Energy: 1.3355516281021955
Energy: 1.3233386119191255
Energy: 1.1832212288084967
Energy: 1.3233386119049144
Energy: 1.4508404687603058
Energy: 1.1820841362574623
Energy: 1.1806422068295437
Energy: 1.182084136313631
Energy: 1.4508404687603058
Energy: 1.1820841362303616
Energy: 1.3261109941859224
Energy: 1.1886104995657423
Energy: 1.201820816925572
Energy: 1.1886104995650963
Energy: 1.3261109941852764
Energy: 1.1886104995618667
Energy: 1.446320586252101
Energy: 1.261411063242659
Energy: 1.183136028269546
Energy: 1.2454570729716596
Energy: 1.4463235406277992
Energy: 1.2924800429855627
Energy: 1.2999441800310965
Energy: 1.436624223105257
Energy: 1.3028924198398795
Energy: 1.436624223103965
Energy: 1.2999441800323883
Energy: 1.4366242231046111
Energy: 1.1988598776677624
Energy: 1.2016619051556476
Energy: 1.1903933723223834
Energy: 1.2016619051562936
Energy: 1.1988598776664998
Energy: 1.2016619051562936
Energy: 1.184801490614089
Energy: 1.1812159776278885
Energy: 1.6515457330291696
Energy: 1.181215977622075
Energy: 1.1848014906153808
Energy: 1.181215977624659
Energy: 1.1975992000899567
Energy: 1.330671135950594
Energy: 1.7020991705197706
Energy: 1.3306711359719103
Energy: 1.1975992000899567
Energy: 1.330671135946718
Energy: 1.1956012901649942
Energy: 1.4353951080179392
Energy: 1.3024558643912276
Energy: 1.4353951080211689
Energy: 1.19560129016564
Energy: 1.4353951080198768
Energy: 1.3025356529090608
Energy: 1.212708887403654
Energy: 1.1907733141302186
Energy: 1.212708887401716
Energy: 1.3025356529090608
Energy: 1.2127088874049459
Energy: 1.298772184841431
Energy: 1.182624111073161
Energy: 1.2049883481168553
Energy: 1.1826241110718694
Energy: 1.2987721848401392
Energy: 1.182624111073161
Energy: 1.6867303438416246
Energy: 1.5020023312223114
Energy: 1.198790916180591
Energy: 1.5020023312255413
Energy: 1.6867303438416246
Energy: 1.5020023312223114
Energy: 1.5987566658698737
Energy: 1.1898304933525876
Energy: 1.188759541791577
Energy: 1.1898304933422525
Energy: 1.5987566658692278
Energy: 1.1898304933332091
Energy: 1.1800531333850752
Energy: 1.4759758749234986
Energy: 1.1800629417710917
Energy: 1.4759758747956582
Energy: 1.1800531333844293
Energy: 1.4759758747930745
Energy: 1.184678913487691
Energy: 1.1854282616697422
Energy: 1.684256358478958
Energy: 1.1854282616665126
Energy: 1.184678913487691
Energy: 1.1854282616678042
Energy: 1.1983997085960716
Energy: 1.5033052113139034
Energy: 1.6864941822319823
Energy: 1.5033052113158119
Energy: 1.1983997085960716
Energy: 1.503305211315166
Energy: 1.1984741270746626
Energy: 1.1837292086199853
Energy: 1.3106789829360512
Energy: 1.1837292086051283
Energy: 1.1984741270746626
Energy: 1.1837292085947928
Energy: 1.1908265176498116
Energy: 1.2657819275456317
Energy: 1.3026472302886787
Energy: 1.2657819275469238
Energy: 1.190826517649166
Energy: 1.2657819275462776
Energy: 1.3021983929206609
Energy: 1.4358704003290295
Energy: 1.202003684743319
Energy: 1.4358704003277378
Energy: 1.302198392920015
Energy: 1.4358704003296754
Energy: 1.7013188600446947
Energy: 1.4345728799422082
Energy: 1.197593988091655
Energy: 1.4345728799415622
Energy: 1.701318860044049
Energy: 1.4345728799409163
Energy: 1.6505393974026408
Energy: 1.1826361863252914
Energy: 1.1848466253784111
Energy: 1.1826361863246455
Energy: 1.650539397400703
Energy: 1.1826361863259374
Energy: 1.1902015165470996
Energy: 1.2007616871749704
Energy: 1.199237499337416
Energy: 1.2007616871743243
Energy: 1.1902015165464535
Energy: 1.2007616871756164
Energy: 1.3028741071799708
Energy: 1.4371536367409743
Energy: 1.2998100661471528
Energy: 1.437153636746142
Energy: 1.3028741071799708
Energy: 1.437153636743558
Energy: 1.1828283295426238
Energy: 1.2729142257160055
Energy: 1.4461082858763517
Energy: 1.2729142247036165
Energy: 1.182828329541978
Energy: 1.2729142262448083
Energy: 1.2021259926812653
Energy: 1.188662888957979
Energy: 1.326372891588843
Energy: 1.188662888957979
Energy: 1.2021259926825574
Energy: 1.1886628889560409
Energy: 1.180778710645908
Energy: 1.183699776779317
Energy: 1.449275554443328
Energy: 1.183699777211256
Energy: 1.180778710646554
Energy: 1.183699777155733
Energy: 1.3359933165141005
Energy: 1.31562540117333
Energy: 1.1824778714020223
Energy: 1.3156254011913875
Energy: 1.3359933165141005
Energy: 1.315625401168162
Energy: 1.3228502357476515
Energy: 1.185976387817918
Energy: 1.3185144617439104
Energy: 1.1859763878469862
Energy: 1.3228502357444218
Energy: 1.1859763878463403
Energy: 1.4647882366219425
Energy: 1.2403734070284946
Energy: 1.1846241222497287
Energy: 1.2403734070278487
Energy: 1.4647882366193585
Energy: 1.2403734070291113
Energy: 1.2962002670521173
Energy: 1.1816348316493992
Energy: 1.1991257835857434
Energy: 1.1816348316513372
Energy: 1.2962002670508252
Energy: 1.1816348316448777
Energy: 1.1838367285079638
Energy: 1.2932763976996176
Energy: 1.1848969860419456
Energy: 1.2932763977002635
Energy: 1.1838367285105182
Energy: 1.2932763976983255
Energy: 1.1831706030309652
Energy: 1.1980246162162405
Energy: 1.198011769971572
Energy: 1.1980246162162405
Energy: 1.1831706030316111
Energy: 1.1980246162155945
Energy: 1.2774349233572029
Energy: 1.1878537805988778
Energy: 1.7301682015986448
Energy: 1.1878537807273646
Energy: 1.2774349234624642
Energy: 1.187853780643449
Energy: 1.18308729356441
Energy: 1.204344242633472
Energy: 1.4684247902908754
Energy: 1.2043442426593103
Energy: 1.18308729356441
Energy: 1.204344242528886
Energy: 1.1835643965801526
Energy: 1.2948255764369074
Energy: 1.1843629696541744
Energy: 1.2948255764369074
Energy: 1.1835643965795066
Energy: 1.2948255764369074
Energy: 1.2960147736010534
Energy: 1.186129274557579
Energy: 1.1990023697458487
Energy: 1.1861292745614547
Energy: 1.2960147735997618
Energy: 1.1861292745614547
Energy: 1.5076717966134956
Energy: 1.240373407031049
Energy: 1.1847551046031404
Energy: 1.2403734070297572
Energy: 1.5076717966134956
Energy: 1.240373407030403

minimum gb energy = 1.1800531333844293 eV
minimum distance =  2.30483220289609 Angstroms
sigma value = 57


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

Energy: 1.3410322444398322
Energy: 1.7206551754242891
Energy: 1.6696154895035724
Energy: 1.7206551754242891
Energy: 1.3410322444387806
Energy: 1.7206551754242891
Energy: 1.2494893200432868
Energy: 1.1496911680035826
Energy: 1.1486986095684868
Energy: 1.1496911680004274
Energy: 1.2494893200411834
Energy: 1.1496911679993755
Energy: 1.1349400276178063
Energy: 1.329157282987658
Energy: 1.149123747712985
Energy: 1.329157283024422
Energy: 1.134940027618858
Energy: 1.3291572830075937
Energy: 1.339980848001173
Energy: 1.3159591194789673
Energy: 1.3087167095511856
Energy: 1.315959119480019
Energy: 1.339980848001173
Energy: 1.315959119471605
Energy: 1.1363285801693144
Energy: 1.2142714992883186
Energy: 1.332879854566077
Energy: 1.2142714992862151
Energy: 1.1363285801703662
Energy: 1.214271499285211
Energy: 1.3277833876646736
Energy: 1.3186217796293016
Energy: 1.3084964319856072
Energy: 1.3186217796314053
Energy: 1.3277833876625702
Energy: 1.3186217796293016
Energy: 1.13643427977238
Energy: 1.327051164761023
Energy: 1.1492402059657303
Energy: 1.3270511963590337
Energy: 1.13643427977238
Energy: 1.3270511565503758
Energy: 1.138215020181675
Energy: 1.2297297683282293
Energy: 1.1488156697809273
Energy: 1.2297297395698084
Energy: 1.1382150201847825
Energy: 1.2297297663139448
Energy: 1.3440754681821505
Energy: 1.1378691078720131
Energy: 1.1492355804440433
Energy: 1.1378691078720131
Energy: 1.344075468180047
Energy: 1.1378691078762204
Energy: 1.233378849276631
Energy: 1.1522517445969962
Energy: 1.1504053804741567
Energy: 1.1522517445896339
Energy: 1.233378849314447
Energy: 1.1522517445906857
Energy: 1.136585844094169
Energy: 1.1361459903958755
Energy: 1.3133340971828942
Energy: 1.1361459904000826
Energy: 1.1365858440931174
Energy: 1.1361459903958755
Energy: 1.2185672950343631
Energy: 1.3114689077057686
Energy: 1.315512673339235
Energy: 1.3114694508754534
Energy: 1.2185672950343631
Energy: 1.3114656485255902
Energy: 1.1382897484226904
Energy: 1.3305973086685075
Energy: 1.3160465789738514
Energy: 1.3305973086685075
Energy: 1.1382897484226904
Energy: 1.330597308660093
Energy: 1.3523461069706244
Energy: 1.172712007511463
Energy: 1.3154404876898067
Energy: 1.1727120075062043
Energy: 1.3523461069727278
Energy: 1.1727120075104114
Energy: 1.1366479852781615
Energy: 1.3336012275085247
Energy: 1.1500804218126086
Energy: 1.3336012260125243
Energy: 1.1366479852792133
Energy: 1.3336012256614245
Energy: 1.1377313363275086
Energy: 1.2419634548477918
Energy: 1.150142561624662
Energy: 1.2419634550422738
Energy: 1.1377313363190942
Energy: 1.241963454926627
Energy: 1.3522136262884437
Energy: 1.1361122971633917
Energy: 1.1512911378310724
Energy: 1.1361122971612883
Energy: 1.3522136262873918
Energy: 1.1361122971623399
Energy: 1.3515523960011828
Energy: 1.3347594234589435
Energy: 1.150101266857899
Energy: 1.3347594234557882
Energy: 1.3515523959990792
Energy: 1.3347594234578917
Energy: 1.1366331489463894
Energy: 1.1376630591065653
Energy: 1.3250340282481614
Energy: 1.137663059112876
Energy: 1.1366331489463894
Energy: 1.137663059104462
Energy: 1.3383212876626531
Energy: 1.312945104688529
Energy: 1.3254896391287545
Energy: 1.3129451047000986
Energy: 1.338321287659498
Energy: 1.3129451040588052
Energy: 1.138005178671038
Energy: 1.3183055613188772
Energy: 1.335869164586987
Energy: 1.3183055613230843
Energy: 1.1380051786700338
Energy: 1.3183055613230843
Energy: 1.1373187097459452
Energy: 1.1369816733577252
Energy: 1.3252963326022504
Energy: 1.1369816733524665
Energy: 1.1373187097459452
Energy: 1.1369816733535183
Energy: 1.1384918298508402
Energy: 1.330545569197615
Energy: 1.151567593943667
Energy: 1.330545569196563
Energy: 1.1384918298497884
Energy: 1.3305455691934078
Energy: 1.358791351419729
Energy: 1.301124783378592
Energy: 1.151323031564941
Energy: 1.3011247833712296
Energy: 1.358791351419729
Energy: 1.301124783370178
Energy: 1.3463908706611263
Energy: 1.2990327683991678
Energy: 1.1505854599120446
Energy: 1.2990327684107374
Energy: 1.3463908706936836
Energy: 1.2990327684044267
Energy: 1.1377920424083834
Energy: 1.3335609178490686
Energy: 1.1517487660782089
Energy: 1.3335609178269814
Energy: 1.1377920424083834
Energy: 1.3335609178038426
Energy: 1.1392788732410664
Energy: 1.1356442141416614
Energy: 1.3187825182471917
Energy: 1.135644214138506
Energy: 1.139278873242118
Energy: 1.135644214138506

minimum gb energy = 1.1349400276178063 eV
minimum distance =  2.33748186574885 Angstroms
sigma value = 43


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

Energy: 1.3898736044617641
Energy: 1.2028440064974166
Energy: 1.791629050060065
Energy: 1.2028440051385836
Energy: 1.3898736044617641
Energy: 1.2028440040408932
Energy: 1.2312026163717857
Energy: 1.2076979408753918
Energy: 1.1855561088593167
Energy: 1.207697940754382
Energy: 1.2312026163717857
Energy: 1.2076979408463064
Energy: 1.1846986284646908
Energy: 1.346811184869306
Energy: 1.1892652715862615
Energy: 1.3468111848685396
Energy: 1.1846986284639243
Energy: 1.3468111848685396
Energy: 1.2793095940869763
Energy: 1.1853413780103659
Energy: 1.3394312029086763
Energy: 1.1853413780126647
Energy: 1.2793095940900414
Energy: 1.1853413780095996
Energy: 1.1879938199103552
Energy: 1.269726355916205
Energy: 1.3009449590272406
Energy: 1.2697263559154386
Energy: 1.1879938199095887
Energy: 1.2697263559154386
Energy: 1.3283725518151752
Energy: 1.327698294531676
Energy: 1.2025688125438159
Energy: 1.327698294531676
Energy: 1.3283725518174743
Energy: 1.3276982945324423
Energy: 1.2040736784083776
Energy: 1.3279667982660608
Energy: 1.2095934540924769
Energy: 1.3279667982652943
Energy: 1.2040736784083776
Energy: 1.3279667982729575
Energy: 1.3007913801169921
Energy: 1.269327031060869
Energy: 1.1895811370557008
Energy: 1.2693270310524394
Energy: 1.3007913801177586
Energy: 1.269327031059336
Energy: 1.3413667455222416
Energy: 1.1855528885737776
Energy: 1.3608499473307836
Energy: 1.1855528885730113
Energy: 1.3413667455222416
Energy: 1.185552888574544
Energy: 1.4446915757123988
Energy: 1.3521350674167985
Energy: 1.1862744978750221
Energy: 1.3521350674152657
Energy: 1.4446915757123988
Energy: 1.3521350674167985
Energy: 1.1874446062119768
Energy: 1.2664822643162328
Energy: 1.2052796918737028
Energy: 1.2664822643162328
Energy: 1.1874446062119768
Energy: 1.2664822643162328
Energy: 1.2082425851699317
Energy: 1.203827227715184
Energy: 1.393400934543691
Energy: 1.203827227715184
Energy: 1.2082425851714642
Energy: 1.2038272277144177
Energy: 1.186199841284754
Energy: 1.207122281921764
Energy: 1.3485164617771963
Energy: 1.2071222819179324
Energy: 1.1861998412832215
Energy: 1.2071222819179324
Energy: 1.3439601208250096
Energy: 1.1856034575182266
Energy: 1.186385022873128
Energy: 1.1856034575113295
Energy: 1.3439601208227108
Energy: 1.1856034575082643
Energy: 1.3472228912581405
Energy: 1.1866797707957368
Energy: 1.2090141337458713
Energy: 1.1866797707949706
Energy: 1.347222891258907
Energy: 1.1866797707965033
Energy: 1.3345746914127132
Energy: 1.3496631504771655
Energy: 1.1883843158155087
Energy: 1.3496631504817633
Energy: 1.3345746914134795
Energy: 1.3496631504763992
Energy: 1.2055245661473202
Energy: 1.203118772684767
Energy: 1.3293459414031212
Energy: 1.2031187725836467
Energy: 1.2055245661473202
Energy: 1.2031187726694403
Energy: 1.206853037053067
Energy: 1.3277295152153172
Energy: 1.204032760609437
Energy: 1.3277295152168502
Energy: 1.206853037053067
Energy: 1.3277295152153172
Energy: 1.1957006242286576
Energy: 1.2077493061479494
Energy: 1.3403436469650438
Energy: 1.207749306155578
Energy: 1.1957006242286576
Energy: 1.2077493061494824
Energy: 1.1866807223122027
Energy: 1.3069927713225669
Energy: 1.3498701094358814
Energy: 1.3069927713233334
Energy: 1.18668072231067
Energy: 1.3069927713218008
Energy: 1.186352612817225
Energy: 1.3541865753764661
Energy: 1.2068594511739643
Energy: 1.354186591776927
Energy: 1.186352612817991
Energy: 1.3541865828815705
Energy: 1.535276424885354
Energy: 1.1893697584623695
Energy: 1.1856521433989433
Energy: 1.1893697584547063
Energy: 1.5352769821734518
Energy: 1.1893697584616032
Energy: 1.6051529201708488
Energy: 1.4666557996225253
Energy: 1.2067156392432952
Energy: 1.4666557996225253
Energy: 1.6051529201708488
Energy: 1.4666557996225253
Energy: 1.1854378506401673
Energy: 1.5858653397045521
Energy: 1.2066249699844593
Energy: 1.5858653397037858
Energy: 1.1854378506417003
Energy: 1.5858653397045521
Energy: 1.195425598207322
Energy: 1.2035700114044725
Energy: 1.34047000675026
Energy: 1.203570011380751
Energy: 1.1954255982080886
Energy: 1.2035700114006407
Energy: 1.2070810080381218
Energy: 1.3653842155425002
Energy: 1.3403203646491744
Energy: 1.3653842155432667
Energy: 1.2070810080373555
Energy: 1.3653842155432667
Energy: 1.193148123661952
Energy: 1.380616982659572
Energy: 1.324972514289795
Energy: 1.380616982661871
Energy: 1.1931481236604193
Energy: 1.3806169826603385
Energy: 1.3278335777673314
Energy: 1.703091624009725
Energy: 1.3244178659706864
Energy: 1.703091624009725
Energy: 1.3278335777696302
Energy: 1.703091624009725
Energy: 1.3281300339070345
Energy: 1.380482466465364
Energy: 1.2115728577585065
Energy: 1.3804824664683943
Energy: 1.328130033907801
Energy: 1.3804824664729924
Energy: 1.3462169726132789
Energy: 1.3651898175560508
Energy: 1.207236264254613
Energy: 1.3651898175575834
Energy: 1.3462169726002515
Energy: 1.3651898175575834
Energy: 1.3395360466092325
Energy: 1.2036945600265694
Energy: 1.1948635470485087
Energy: 1.2036945600817448
Energy: 1.3395360466092325
Energy: 1.2036945600840439
Energy: 1.206355128427748
Energy: 1.5854378941157912
Energy: 1.1855706255880294
Energy: 1.5854378941134921
Energy: 1.206355128427748
Energy: 1.5854378941096605
Energy: 1.2064278013284115
Energy: 1.466159207076292
Energy: 1.8261744496196752
Energy: 1.4661592070770586
Energy: 1.2064278013284115
Energy: 1.466159207076292
Energy: 1.1858098655166653
Energy: 1.190505075936161
Energy: 1.722247943078989
Energy: 1.1905050759376936
Energy: 1.1858098655166653
Energy: 1.1905050759353948
Energy: 1.2067636932826336
Energy: 1.354049728754465
Energy: 1.1862022272517125
Energy: 1.3540497287552313
Energy: 1.2067636932819021
Energy: 1.3540497287559976
Energy: 1.349051712950294
Energy: 1.3032552948609117
Energy: 1.1855325388465972
Energy: 1.3032552948647436
Energy: 1.349051712950294
Energy: 1.3032552948632106

minimum gb energy = 1.1846986284639243 eV
minimum distance =  2.32469813568355 Angstroms
sigma value = 81


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

Energy: 1.1826324879697143
Energy: 1.1852604672593055
Energy: 2.2691163594035193
Energy: 1.1852604672587295
Energy: 1.1826324879694263
Energy: 1.1852604672587295
Energy: 1.18514252575691
Energy: 1.1840481977521027
Energy: 1.1826967333251681
Energy: 1.1840481977518147
Energy: 1.185142525725362
Energy: 1.1840481977521027
Energy: 1.1825839093215171
Energy: 1.1841858344786373
Energy: 1.5411072372145822
Energy: 1.1841858344789253
Energy: 1.1825839093215171
Energy: 1.1841858344778056
Energy: 2.2691163594029433
Energy: 1.1852604672581855
Energy: 1.1826324879691386
Energy: 1.1852604672587295
Energy: 2.269116359400959
Energy: 1.1852604672590172
Energy: 1.1826967333251681
Energy: 1.1840481977521027
Energy: 1.1851425260028638
Energy: 1.1840481977518147
Energy: 1.1826967333251681
Energy: 1.1840481977518147
Energy: 1.7673489220908503
Energy: 1.1841858344789253
Energy: 1.1825839093215171
Energy: 1.1841858344789253
Energy: 1.7673489220908503
Energy: 1.184185834479213
Energy: 1.1826324879697143
Energy: 1.1852604672587295
Energy: 1.8902495479594155
Energy: 1.1852604672587295
Energy: 1.1826324879697143
Energy: 1.1852604672593055
Energy: 1.1851425262992439
Energy: 1.1840481977518147
Energy: 1.1826967333251681
Energy: 1.1840481977521027
Energy: 1.1851425263276565
Energy: 1.1840481977518147
Energy: 1.1825839093218051
Energy: 1.1841858344786373
Energy: 1.7673489220905623
Energy: 1.1841858344789253
Energy: 1.1825839093218051
Energy: 1.1841858344789253
Energy: 1.3592951963810886
Energy: 1.1852604672590172
Energy: 1.1826324879694263
Energy: 1.1852604672581855
Energy: 1.3592951963830404
Energy: 1.1852604672584732

minimum gb energy = 1.1825839093215171 eV
minimum distance =  2.3212077730961 Angstroms
sigma value = 3


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

Energy: 1.6495353788551785
Energy: 1.664686497511787
Energy: 1.7858765509793229
Energy: 1.664686497511787
Energy: 1.649535378856021
Energy: 1.664686497510102
Energy: 1.1962184608071589
Energy: 1.2229301374541268
Energy: 1.1651859620604903
Energy: 1.2229301374532844
Energy: 1.1962184608046313
Energy: 1.2229301374524417
Energy: 1.1883171309345015
Energy: 1.1884086095740238
Energy: 1.4071089179896006
Energy: 1.1884086095723385
Energy: 1.1883171309345015
Energy: 1.1884086095723385
Energy: 1.1904854394379973
Energy: 1.4097839602945013
Energy: 1.217853764095766
Energy: 1.4097839592332937
Energy: 1.1904854399677585
Energy: 1.4097839623755912
Energy: 1.194323765721358
Energy: 1.1944165933951936
Energy: 1.1645379264462283
Energy: 1.1944165933935083
Energy: 1.1943237657222003
Energy: 1.1944165933935083
Energy: 1.42038175220206
Energy: 1.2671293471469225
Energy: 1.168444594567281
Energy: 1.2671293471477267
Energy: 1.4203817521666713
Energy: 1.2671293471477267
Energy: 1.1946447873665498
Energy: 1.196374721216028
Energy: 1.2217204682126876
Energy: 1.196374721211815
Energy: 1.1946447873665498
Energy: 1.1963747212110105
Energy: 1.1959488820435902
Energy: 1.409402257179899
Energy: 1.2213370897266453
Energy: 1.4094022491678733
Energy: 1.1959488820435902
Energy: 1.409402270507193
Energy: 1.1882143706407888
Energy: 1.1901443635059659
Energy: 1.6465203572964422
Energy: 1.1901443635059659
Energy: 1.1882143706399464
Energy: 1.1901443635076512
Energy: 1.189045059728021
Energy: 1.2222635861792752
Energy: 1.1647869351497744
Energy: 1.222263586183488
Energy: 1.1890450597288638
Energy: 1.2222635861801177
Energy: 1.6476785825524232
Energy: 1.2745737767351817
Energy: 1.2227936384512381
Energy: 1.2745737767410799
Energy: 1.6476785825524232
Energy: 1.2745737767343392
Energy: 1.6494803632032347
Energy: 1.2710258355874864
Energy: 1.166194788560188
Energy: 1.2710258355883288
Energy: 1.6494803631881065
Energy: 1.2710258355874864
Energy: 1.188651517376617
Energy: 1.3021349736231176
Energy: 1.166273692875855
Energy: 1.3021349736306624
Energy: 1.1886515173757743
Energy: 1.302134973628135
Energy: 1.188792684633187
Energy: 1.4963277502314587
Energy: 1.2182888679705919
Energy: 1.4963277502289307
Energy: 1.1887926846323444
Energy: 1.4963277502297736
Energy: 1.1943777590247187
Energy: 1.2730600762994615
Energy: 1.2177379788312521
Energy: 1.2730600762994615
Energy: 1.1943777590247187
Energy: 1.2730600762986186
Energy: 1.19942205283933
Energy: 1.2219828821101697
Energy: 1.1659842450176305
Energy: 1.2219828821110124
Energy: 1.19942205283933
Energy: 1.2219828821067993
Energy: 1.1939800730866543
Energy: 1.2212161481131079
Energy: 1.165388272781421
Energy: 1.2212161481072097
Energy: 1.1939800730874968
Energy: 1.2212161481088948
Energy: 1.1939757820442587
Energy: 1.3076875309162412
Energy: 1.2216757895745711
Energy: 1.3076875309196112
Energy: 1.1939757820451014
Energy: 1.3076875309196112
Energy: 1.1918980726851562
Energy: 1.2756866904968107
Energy: 1.219229795651166
Energy: 1.2756866904824868
Energy: 1.1918980726851562
Energy: 1.2756866904875421
Energy: 1.1882063462801273
Energy: 1.2245892317237046
Energy: 1.1651748811710583
Energy: 1.2245892317253897
Energy: 1.1882063462801273
Energy: 1.2245892317245473
Energy: 1.6575007224385445
Energy: 1.270589262817113
Energy: 1.164582093960973
Energy: 1.2705892628179556
Energy: 1.6575007224402298
Energy: 1.270589262817113
Energy: 1.6487237266382062
Energy: 1.2804825570302791
Energy: 1.2207478688540274
Energy: 1.2804825570311218
Energy: 1.6487237266373636
Energy: 1.2804825570311218
Energy: 1.1890650454885308
Energy: 1.2209222117871172
Energy: 1.1646033859853515
Energy: 1.2209222117871172
Energy: 1.1890650454893732
Energy: 1.2209222117871172
Energy: 1.1896320549478476
Energy: 1.188852703074101
Energy: 1.6534259043825363
Energy: 1.1888527030749436
Energy: 1.1896320549478476
Energy: 1.1888527030732585
Energy: 1.1954243745647364
Energy: 1.3068607021740741
Energy: 1.2250966822836957
Energy: 1.3068607021766019
Energy: 1.1954243745638937
Energy: 1.3068607021740741
Energy: 1.1966572146972139
Energy: 1.189393689269154
Energy: 1.265885755686935
Energy: 1.1893936892742094
Energy: 1.196657214696371
Energy: 1.1893936892716817
Energy: 1.194900954209418
Energy: 1.2224028342867277
Energy: 1.1676298458026588
Energy: 1.2224028342884128
Energy: 1.194900954209418
Energy: 1.22240283429006
Energy: 1.1966352460543088
Energy: 1.275617615066596
Energy: 1.4135602709751283
Energy: 1.2756176150699663
Energy: 1.1966352460543088
Energy: 1.2756176150699663
Energy: 1.3040747790886444
Energy: 1.4057651779745508
Energy: 1.2187095595547137
Energy: 1.4057660857964704
Energy: 1.304074779089487
Energy: 1.405765225237356
Energy: 1.1892197524270733
Energy: 1.1883744924812085
Energy: 1.4061864139521754
Energy: 1.1883744924854214
Energy: 1.1892197524270733
Energy: 1.1883744924845787
Energy: 1.2160674039277974
Energy: 1.2213712630957902
Energy: 1.1680229869335865
Energy: 1.2213712627428968
Energy: 1.2160674039547603
Energy: 1.2213712627816564
Energy: 1.6491100120454159
Energy: 1.6516992782649724
Energy: 1.2212072364588118
Energy: 1.6516992782624447
Energy: 1.6491100120454159
Energy: 1.6516992782632873
Energy: 1.1979003337211824
Energy: 1.2240647055585119
Energy: 1.1643427573806655
Energy: 1.2240647055593543
Energy: 1.1979003337203395
Energy: 1.2240647055593543

minimum gb energy = 1.1643427573806655 eV
minimum distance =  2.30237520051625 Angstroms
sigma value = 67


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

Energy: 1.3595607980400077
Energy: 1.5059391160786628
Energy: 1.703550802661574
Energy: 1.5059391163270779
Energy: 1.3595607980400077
Energy: 1.5059391160282922
Energy: 1.190282532459864
Energy: 1.3113696667406494
Energy: 1.1514689434802234
Energy: 1.3113696672326771
Energy: 1.190282532470615
Energy: 1.31136966630505
Energy: 1.1479963833193982
Energy: 1.2248087143491235
Energy: 1.295845057695423
Energy: 1.22480871097451
Energy: 1.1479963833205986
Energy: 1.2248087080211434
Energy: 1.3537400758119507
Energy: 1.5047349990461356
Energy: 1.2938448572081118
Energy: 1.5047349990461356
Energy: 1.3537400757699294
Energy: 1.5047349990473362
Energy: 1.2938779838894856
Energy: 1.5042521499016988
Energy: 1.3983828756193992
Energy: 1.5042521498897474
Energy: 1.2938779838906862
Energy: 1.5042521499065014
Energy: 1.2999709551833312
Energy: 1.1521441012729248
Energy: 1.1348551735366372
Energy: 1.1521441013089424
Energy: 1.2999709551545167
Energy: 1.1521441012993376
Energy: 1.2979207924998473
Energy: 1.148861494338806
Energy: 1.1496294873777118
Energy: 1.1488614944756197
Energy: 1.2979207924998473
Energy: 1.1488614943004416
Energy: 1.3034894698869324
Energy: 1.490458637868802
Energy: 1.7320168056958276
Energy: 1.4904586378676017
Energy: 1.3034894698869324
Energy: 1.490458637864
Energy: 1.3051813005114872
Energy: 1.14886124461332
Energy: 1.7304549622276117
Energy: 1.1488612446097182
Energy: 1.3051813005102868
Energy: 1.1488612446145205
Energy: 1.3095036445416415
Energy: 1.1496595175277917
Energy: 1.1473517925333119
Energy: 1.1496595177245807
Energy: 1.3095036445404409
Energy: 1.1496595174642144
Energy: 1.3014579086104419
Energy: 1.1521377386648946
Energy: 1.1518475340620806
Energy: 1.1521377413674452
Energy: 1.301457908611588
Energy: 1.1521377398337331
Energy: 1.3087214492606152
Energy: 1.1995384090048056
Energy: 1.3080652108404178
Energy: 1.199538409003605
Energy: 1.3087214492594146
Energy: 1.199538409003605
Energy: 1.152637917411859
Energy: 1.1506306296649862
Energy: 1.3014349686533166
Energy: 1.1506306298126054
Energy: 1.152637917411859
Energy: 1.1506306297094084
Energy: 1.1496999413800835
Energy: 1.1534917995545546
Energy: 1.3094779473073328
Energy: 1.15349179943695
Energy: 1.1496999413788829
Energy: 1.15349179943695
Energy: 1.4533780162737087
Energy: 1.3478783903761813
Energy: 1.3061418444387305
Energy: 1.3478783904493636
Energy: 1.4533780162713075
Energy: 1.3478783905117946
Energy: 1.4468795358693962
Energy: 1.3707573287461299
Energy: 1.3060170242553961
Energy: 1.370757328740127
Energy: 1.4468795357098256
Energy: 1.3707573287425279
Energy: 1.1503946307270232
Energy: 1.1502514725057438
Energy: 1.1391647717603888
Energy: 1.1502514724877348
Energy: 1.1503946307270232
Energy: 1.1502514725357589
Energy: 1.1366819996945652
Energy: 1.1528174618389195
Energy: 1.3070837802368216
Energy: 1.1528174611537045
Energy: 1.1366819996945652
Energy: 1.152817460868071
Energy: 1.3971230734897944
Energy: 1.169194739906716
Energy: 1.294097787901288
Energy: 1.169194739912719
Energy: 1.397123073490995
Energy: 1.1691947399283271
Energy: 1.2931733291837586
Energy: 1.2099638221091216
Energy: 1.4011120866475433
Energy: 1.2099638220779605
Energy: 1.293173329184959
Energy: 1.2099638221547444
Energy: 1.605234771132639
Energy: 1.372090255514872
Energy: 1.1325889629273231
Energy: 1.3720902551188374
Energy: 1.6052347711350399
Energy: 1.372090255830466
Energy: 1.1516950670800514
Energy: 1.3108593063300742
Energy: 1.1439185206019564
Energy: 1.310859306236482
Energy: 1.1516950670800514
Energy: 1.3108593063480833
Energy: 1.419410642421396
Energy: 1.7655212706788719
Energy: 1.187367915462736
Energy: 1.7655212707100876
Energy: 1.4194106423157973
Energy: 1.7655212706788719

minimum gb energy = 1.1325889629273231 eV
minimum distance =  2.29210755612995 Angstroms
sigma value = 33


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

Energy: 1.473079453353594
Energy: 1.0857431513868285
Energy: 1.6722290770760517
Energy: 1.0857431513236473
Energy: 1.473079453353594
Energy: 1.085743151336595
Energy: 1.579735210276272
Energy: 1.472164949721479
Energy: 1.0696318438701293
Energy: 1.4721649496932983
Energy: 1.579735210276272
Energy: 1.472164949665914
Energy: 1.0747929825361924
Energy: 1.1611598795474332
Energy: 1.0746187435222914
Energy: 1.161159879537532
Energy: 1.0747929825361924
Energy: 1.161159879539817
Energy: 1.15568935916314
Energy: 1.4387233145302436
Energy: 1.0815460602256648
Energy: 1.4387233145363367
Energy: 1.1556893591623782
Energy: 1.4387233145386218
Energy: 1.4296169686537565
Energy: 1.0721645264093185
Energy: 1.4282731750663225
Energy: 1.0721645292763646
Energy: 1.4296169686537565
Energy: 1.0721645346747475
Energy: 1.4450508446066672
Energy: 1.0990238977136977
Energy: 1.0713438244338145
Energy: 1.0990238977152211
Energy: 1.4450508446059056
Energy: 1.0990238977167444
Energy: 1.07510485529071
Energy: 1.09624058712298
Energy: 1.1003940972039867
Energy: 1.0962405871237413
Energy: 1.07510485529071
Energy: 1.0962405871245031
Energy: 1.0953870696926533
Energy: 1.0711554840616146
Energy: 1.4305993479831354
Energy: 1.0711554840242945
Energy: 1.0953870696918915
Energy: 1.071155484085191
Energy: 1.4285463453155092
Energy: 1.3335903233613629
Energy: 1.435609215158708
Energy: 1.3335903233583164
Energy: 1.4285463453155092
Energy: 1.3335903233598396
Energy: 1.0857043651308986
Energy: 1.3226259615618094
Energy: 1.0715608773025087
Energy: 1.322625961562571
Energy: 1.085704365130137
Energy: 1.3226259615640594
Energy: 1.0780708412840592
Energy: 1.0963001021765748
Energy: 1.0983735854411898
Energy: 1.0963001022336631
Energy: 1.0780708412848206
Energy: 1.096300102212337
Energy: 1.073056562812451
Energy: 1.1512951122671347
Energy: 1.09208219025119
Energy: 1.1512951122671347
Energy: 1.0730565628132127
Energy: 1.151295112268658
Energy: 1.4571148552065178
Energy: 1.0830403310693113
Energy: 1.4677416902302864
Energy: 1.0830403319029238
Energy: 1.4571148553214905
Energy: 1.0830403313532637
Energy: 1.0697502245737165
Energy: 1.4585677696200683
Energy: 1.0787872426875749
Energy: 1.458567769622353
Energy: 1.0697502245729549
Energy: 1.4585677696193065
Energy: 1.535024992737095
Energy: 1.1610204027504234
Energy: 1.070357790439525
Energy: 1.161020402765656
Energy: 1.5350249927401414
Energy: 1.1610204027549933
Energy: 1.0813067845777726
Energy: 1.4358716534773355
Energy: 1.5738879017057943
Energy: 1.4358716534765739
Energy: 1.0813067845762494
Energy: 1.4358716535938314
Energy: 1.6116532193505992
Energy: 1.0737656493569685
Energy: 1.436952776698725
Energy: 1.0737656493226948
Energy: 1.6116532193498374
Energy: 1.0737656493531604
Energy: 1.07126468469277
Energy: 1.094542379510564
Energy: 1.0881263025664738
Energy: 1.0945423795075178
Energy: 1.07126468469277
Energy: 1.0945423795082792
Energy: 1.2517789943718762
Energy: 1.0965228780905654
Energy: 1.0701919124297206
Energy: 1.096522878085234
Energy: 1.2517789943726378
Energy: 1.096522878091327
Energy: 1.432406422168569
Energy: 1.0712758306373797
Energy: 1.0945290579252964
Energy: 1.0712756296109402
Energy: 1.432406422168569
Energy: 1.0712754238895938
Energy: 1.5693426265223174
Energy: 1.3169416150081787
Energy: 1.0826302593680392
Energy: 1.3169416150089406
Energy: 1.5693426265246024
Energy: 1.3169416150074171
Energy: 1.0711193352497907
Energy: 1.0996662873939027
Energy: 1.4338673948208915
Energy: 1.0996662873573786
Energy: 1.0711193352490294
Energy: 1.099666287361187
Energy: 1.0942497783276983
Energy: 1.0976229890800107
Energy: 1.0704071069490666
Energy: 1.0976229890822955
Energy: 1.0942497783276983
Energy: 1.0976229890769642
Energy: 1.4692529406228334
Energy: 1.0725426609196467
Energy: 1.0707996213170379
Energy: 1.072542660740004
Energy: 1.469252940623595
Energy: 1.0725426607871906
Energy: 1.0811890420105716
Energy: 1.150963433951069
Energy: 1.07870522930796
Energy: 1.1509634339518307
Energy: 1.0811890454014168
Energy: 1.1509634339503076
Energy: 1.0949044249974036
Energy: 1.5226340802496434
Energy: 1.0732463164151906
Energy: 1.5226340802488818
Energy: 1.0949044249981654
Energy: 1.5226340802488818
Energy: 1.0745176673747179
Energy: 1.0978631272412898
Energy: 1.428407886721401
Energy: 1.097863127242813
Energy: 1.0745176673731947
Energy: 1.0978631272435746
Energy: 1.439907361779154
Energy: 1.3167065322416627
Energy: 1.085791855977625
Energy: 1.3167065322424243
Energy: 1.4399073617799156
Energy: 1.3167065322424243
Energy: 1.4295832703855178
Energy: 1.0713812526237463
Energy: 1.0938070209663076
Energy: 1.0713812526572581
Energy: 1.4295832703855178
Energy: 1.071381252080941
Energy: 1.0945498854711035
Energy: 1.094666480677912
Energy: 1.0712640999988625
Energy: 1.0946664806817206
Energy: 1.0945498854711035
Energy: 1.0946664806801971
Energy: 1.074666279532228
Energy: 1.3081880106058956
Energy: 1.5706247364503636
Energy: 1.3081880106081805
Energy: 1.074666279532228
Energy: 1.308188010606657
Energy: 1.2508253080504528
Energy: 1.0723652971105486
Energy: 1.432322758676122
Energy: 1.072365502445918
Energy: 1.2508253074596989
Energy: 1.0723653201306973
Energy: 1.0822795488138057
Energy: 1.436341283815803
Energy: 1.5533050648028008
Energy: 1.4363412839041185
Energy: 1.082279548813044
Energy: 1.4363412838386522
Energy: 1.0878969284972493
Energy: 1.156937264386778
Energy: 1.071566251691742
Energy: 1.1569372643860163
Energy: 1.0878974278593987
Energy: 1.1569372643875395
Energy: 1.070284993467403
Energy: 1.4658150167282622
Energy: 1.07394131822356
Energy: 1.4658150168295256
Energy: 1.070284993467403
Energy: 1.4658150167853852
Energy: 1.4579062832325742
Energy: 1.0840814604902653
Energy: 1.4701128455956032
Energy: 1.0840814114892061
Energy: 1.457906252262938
Energy: 1.0840814611739045
Energy: 1.0703059431911235
Energy: 1.3211787371082633
Energy: 1.5762919603063568
Energy: 1.321178736431479
Energy: 1.0703059431911235
Energy: 1.3211787364885674

minimum gb energy = 1.0696318438701293 eV
minimum distance =  2.292739361714 Angstroms
sigma value = 41


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

Energy: 0.9042895906376204
Energy: 0.8861257662402562
Energy: 1.756124361754682
Energy: 0.8861257662402562
Energy: 0.9042895906376204
Energy: 0.8861257662381767
Energy: 1.5286121340380627
Energy: 0.8860606126863202
Energy: 0.8854825449395292
Energy: 0.8860606126883998
Energy: 1.5286121340380627
Energy: 0.8860606126883998
Energy: 0.9049554114699508
Energy: 1.1142809252399923
Energy: 1.1461129881226388
Energy: 1.1142809252399923
Energy: 0.9049554114699508
Energy: 1.1142809252399923
Energy: 1.5674308081082255
Energy: 0.8859042377773367
Energy: 0.885655053975409
Energy: 0.8859042377773367
Energy: 1.567430796736338
Energy: 0.8859042377773367
Energy: 0.9049766459835806
Energy: 0.886207970517288
Energy: 0.8861432798416212
Energy: 0.886207970517288
Energy: 0.9049766459835806
Energy: 0.886207970517288
Energy: 0.9036995952607636
Energy: 0.9359098299149609
Energy: 0.8860624864775537
Energy: 0.9359098299149609
Energy: 0.9036995952607636
Energy: 0.9359098299149609
Energy: 1.5677273454576781
Energy: 0.8857780423957298
Energy: 0.8858760406468622
Energy: 0.8857780423957298
Energy: 1.5677273454597578
Energy: 0.8857780423957298
Energy: 0.9035033154922217
Energy: 0.8861343385360482
Energy: 0.8862838496333141
Energy: 0.8861343385360482
Energy: 0.9035033154922217
Energy: 0.8861343385360482
Energy: 1.5298065857329766
Energy: 0.9364796392248014
Energy: 0.8857874209340909
Energy: 0.9364796392268808
Energy: 1.5298065857329766
Energy: 0.9364796392268808
Energy: 0.903205726039922
Energy: 0.8857327339079565
Energy: 0.8862551943387496
Energy: 0.8857327339079565
Energy: 0.903205726039922
Energy: 0.885732733910036
Energy: 1.538108063007557
Energy: 0.8858913302542583
Energy: 0.8854775307555381
Energy: 0.8858913302521789
Energy: 1.538108063007557
Energy: 0.8858913302521789
Energy: 0.9037251690403523
Energy: 1.1145565168587694
Energy: 1.5374739693910882
Energy: 1.1145565168587694
Energy: 0.9037251690403523
Energy: 1.1145565168587694
Energy: 1.5380672267459958
Energy: 0.8858996258104259
Energy: 0.8854681109532804
Energy: 0.8858996258104259
Energy: 1.5380672267439162
Energy: 0.8858996258104259
Energy: 0.9031730201791726
Energy: 0.8857312389186333
Energy: 0.8862358696588616
Energy: 0.8857312389207127
Energy: 0.9031730201791726
Energy: 0.8857312389186333

minimum gb energy = 0.8854681109532804 eV
minimum distance =  2.37753632084685 Angstroms
sigma value = 11


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

Energy: 1.6342635058733654
Energy: 1.1695835030751311
Energy: 1.2205952843205556
Energy: 1.16958350306965
Energy: 1.6342635058733654
Energy: 1.169583503061428
Energy: 1.1543177790488595
Energy: 1.296423884623323
Energy: 1.153243434117367
Energy: 1.2964238846224092
Energy: 1.154317779028762
Energy: 1.29642388462515
Energy: 1.15347165689437
Energy: 1.1796285437955767
Energy: 1.1557709499051916
Energy: 1.1796285437225158
Energy: 1.1534716568952836
Energy: 1.1796285450227864
Energy: 1.1770585592016807
Energy: 1.1778171703268707
Energy: 1.1553053427509947
Energy: 1.177817170562455
Energy: 1.1770585591980265
Energy: 1.177817169268579
Energy: 1.15334392623859
Energy: 1.2599413692068933
Energy: 1.1802690026002922
Energy: 1.2599413686946372
Energy: 1.153343926240417
Energy: 1.2599413693812926
Energy: 1.187844101222946
Energy: 1.2529320559851427
Energy: 1.154451268221297
Energy: 1.2529320404612898
Energy: 1.187844101222946
Energy: 1.2529320461792162
Energy: 1.1768214019415137
Energy: 1.2589013677341425
Energy: 1.1873717633514416
Energy: 1.258901367508607
Energy: 1.1768214019451677
Energy: 1.2589013679249847
Energy: 1.1545504841881549
Energy: 1.1772348597896716
Energy: 1.1540908432046106
Energy: 1.1772348604023735
Energy: 1.1545504841881549
Energy: 1.1772348600197748
Energy: 1.1551655208364935
Energy: 1.2573704417050995
Energy: 1.1564251466738005
Energy: 1.2573704409791628
Energy: 1.1551655208364935
Energy: 1.2573704407481463
Energy: 1.1880639384202385
Energy: 1.1811885814791896
Energy: 1.1763117893447148
Energy: 1.1811885807861189
Energy: 1.1880639384202385
Energy: 1.1811885811395055
Energy: 1.1803647426880477
Energy: 1.1544750651425997
Energy: 1.1896135434312252
Energy: 1.1544750650467217
Energy: 1.1803647426880477
Energy: 1.1544750651334645
Energy: 1.1541229312682364
Energy: 1.2511405575566608
Energy: 1.1895281160649598
Energy: 1.2511405939004334
Energy: 1.154122931267323
Energy: 1.2511405349808316
Energy: 1.1584028213847843
Energy: 1.1781245076814386
Energy: 1.2151410667439242
Energy: 1.1781245079498888
Energy: 1.1584028213847843
Energy: 1.1781245084375005
Energy: 1.1763460230343672
Energy: 1.2622878935513722
Energy: 1.1774830455334033
Energy: 1.2622878935468045
Energy: 1.1763460230343672
Energy: 1.262287893490187
Energy: 1.1554341367699892
Energy: 1.429688324701808
Energy: 1.1559954578177856
Energy: 1.4296883247008942
Energy: 1.1554341367699892
Energy: 1.4296883247008942
Energy: 1.1799894268010067
Energy: 1.159945107484721
Energy: 1.214229272515785
Energy: 1.159945110940856
Energy: 1.1799894267863904
Energy: 1.1599451040815494
Energy: 1.185048885364944
Energy: 1.259066778840989
Energy: 1.1536074486562526
Energy: 1.2590667729030083
Energy: 1.1850488853640306
Energy: 1.2590667768960435
Energy: 1.153436424181328
Energy: 1.4293161833464039
Energy: 1.1533223230032656
Energy: 1.4293161833464039
Energy: 1.1534364241840687
Energy: 1.4293161833454902
Energy: 1.1762725676212131
Energy: 1.1776577118044407
Energy: 1.1757408653568355
Energy: 1.1776577118026135
Energy: 1.1762725676202999
Energy: 1.1776577118044407
Energy: 1.1582835722701843
Energy: 1.1828151197083598
Energy: 1.1552803103445108
Energy: 1.1828151197348309
Energy: 1.1582835722701843
Energy: 1.18281511972935
Energy: 1.187825680788769
Energy: 1.2510529782520112
Energy: 1.1535319592461284
Energy: 1.2510529782775894
Energy: 1.187825680788769
Energy: 1.2510529782775894
Energy: 1.18649466962883
Energy: 1.1556827474303997
Energy: 1.1773158719275933
Energy: 1.1556827474303997
Energy: 1.1864946696297436
Energy: 1.155682747429486
Energy: 1.340090027036784
Energy: 1.181122052201574
Energy: 1.1910813864779852
Energy: 1.1811220528279787
Energy: 1.3400900270376974
Energy: 1.181122051604402
Energy: 1.1535583910782805
Energy: 1.259144776531358
Energy: 1.15412843620767
Energy: 1.2591518188689073
Energy: 1.1535583910782805
Energy: 1.2591493898551886
Energy: 1.1560255450395946
Energy: 1.1765128148535375
Energy: 1.1533495118105526
Energy: 1.1765128099272797
Energy: 1.1560255450405081
Energy: 1.176512814603337
Energy: 1.1851868068893376
Energy: 1.2402724212592613
Energy: 1.1771845464982886
Energy: 1.2402724376396217
Energy: 1.1851868068911646
Energy: 1.2402723284211359
Energy: 1.158240647973679
Energy: 1.2534457969290451
Energy: 1.1534318038091753
Energy: 1.2534456438966255
Energy: 1.1582406479353322
Energy: 1.2534457644258332
Energy: 1.1763825578424492
Energy: 1.2679163773146673
Energy: 1.1875867152999928
Energy: 1.267916377315581
Energy: 1.1763825578433418
Energy: 1.2679163773146673
Energy: 1.1538565609997111
Energy: 1.1780037421767449
Energy: 1.1768202035561464
Energy: 1.1780037404290575
Energy: 1.1538565610006242
Energy: 1.1780037421666962
Energy: 1.154121385759853
Energy: 1.2162563202783538
Energy: 1.1551562918074325
Energy: 1.2162563204454657
Energy: 1.1541213857616799
Energy: 1.2162563202847485
Energy: 1.1540142958661321
Energy: 1.176990944353025
Energy: 1.1550062781029913
Energy: 1.1769919887946958
Energy: 1.1540142958734405
Energy: 1.1769910406125927

minimum gb energy = 1.153243434117367 eV
minimum distance =  2.30164613814519 Angstroms
sigma value = 57


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

Energy: 1.3329339952098014
Energy: 1.32295060136716
Energy: 1.3426175448057875
Energy: 1.3229506013785393
Energy: 1.3329339952098014
Energy: 1.3229506013704113
Energy: 1.27518537125348
Energy: 1.323101667099443
Energy: 1.2714867368868699
Energy: 1.3231016671189135
Energy: 1.2751853712551058
Energy: 1.323101667099443
Energy: 1.3486524871626897
Energy: 1.353052721977268
Energy: 1.2696933269254953
Energy: 1.3530527216847672
Energy: 1.3486524871643155
Energy: 1.353052721808277
Energy: 1.270732018572919
Energy: 1.4729649620019207
Energy: 1.2718998208289485
Energy: 1.4729649619986696
Energy: 1.270732018572919
Energy: 1.4729649619986696
Energy: 1.269589570160811
Energy: 1.353097052376808
Energy: 1.348732853584425
Energy: 1.3530970523751824
Energy: 1.269589570160811
Energy: 1.3530970523784338
Energy: 1.2710035174881646
Energy: 1.2716185471517105
Energy: 1.2762299120696992
Energy: 1.2716184643355375
Energy: 1.2710035175092977
Energy: 1.2716186643296465
Energy: 1.4997166356128298
Energy: 1.322950601375288
Energy: 1.3329339952098014
Energy: 1.3229506013736625
Energy: 1.4997166356128298
Energy: 1.3229506013622834
Energy: 1.2714867368868699
Energy: 1.3611399285266088
Energy: 1.27518537125348
Energy: 1.3611399285282346
Energy: 1.2714867368836187
Energy: 1.36113992852986
Energy: 1.2696933269271211
Energy: 1.3530527226288458
Energy: 1.3486524871626897
Energy: 1.3530527224143378
Energy: 1.2696933269254953
Energy: 1.353052722310372
Energy: 1.2718998208289485
Energy: 1.3907023900011186
Energy: 1.270732018572919
Energy: 1.390702345927385
Energy: 1.2718998208289485
Energy: 1.390702413006449
Energy: 1.348732853584425
Energy: 1.353097052376808
Energy: 1.269589570160811
Energy: 1.353097052376808
Energy: 1.348732853584425
Energy: 1.3530970523735568
Energy: 1.2762299120680738
Energy: 1.2716183674298578
Energy: 1.2710035168966975
Energy: 1.2716183804127976
Energy: 1.2762299120680738
Energy: 1.2716183760190796
Energy: 1.332933995211427
Energy: 1.3229506013720367
Energy: 1.4997166356112042
Energy: 1.3229506013606576
Energy: 1.3329339952098014
Energy: 1.3229506013769137
Energy: 1.27518537125348
Energy: 1.3231016671172877
Energy: 1.2714867368966236
Energy: 1.3231016671156626
Energy: 1.2751853712551058
Energy: 1.3231016671270417
Energy: 1.3486524871626897
Energy: 1.3530527221072433
Energy: 1.2696933269254953
Energy: 1.353052722207995
Energy: 1.3486524871626897
Energy: 1.3530527222112463
Energy: 1.2707320185745445
Energy: 1.4729649620035465
Energy: 1.2718998208256973
Energy: 1.4729649620002951
Energy: 1.2707320185745445
Energy: 1.4729649619986696
Energy: 1.269589570160811
Energy: 1.3530970523784338
Energy: 1.348732853584425
Energy: 1.3530970523784338
Energy: 1.269589570160811
Energy: 1.353097052381685

minimum gb energy = 1.269589570160811 eV
minimum distance =  2.30477412857092 Angstroms
sigma value = 9


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

Energy: 1.410370203292146
Energy: 1.3618078680874157
Energy: 1.4477023978799295
Energy: 1.3618065924013185
Energy: 1.4103702032948007
Energy: 1.3618074665504616
Energy: 1.341683379027156
Energy: 1.3435451135355154
Energy: 1.346040469139979
Energy: 1.3435451135368428
Energy: 1.341683379027156
Energy: 1.3435451135341883
Energy: 1.3601405295230138
Energy: 1.365535059988014
Energy: 1.345443576169939
Energy: 1.365535060346238
Energy: 1.3601405295230138
Energy: 1.365535059743909
Energy: 1.3597725428863985
Energy: 1.4226352128423643
Energy: 1.3536865643207479
Energy: 1.422635212841067
Energy: 1.3597725428863985
Energy: 1.422635212841067
Energy: 1.3409737542648068
Energy: 1.4619781170650563
Energy: 1.3455922758855623
Energy: 1.4619781161748213
Energy: 1.3409737542648068
Energy: 1.4619781160408232
Energy: 1.359404108647643
Energy: 1.364132597351317
Energy: 1.3453386856935672
Energy: 1.3641325972279374
Energy: 1.359404108647643
Energy: 1.364132597278375
Energy: 1.3601411506844965
Energy: 1.36398892757741
Energy: 1.3449388798626736
Energy: 1.3639889275906532
Energy: 1.3601411506844965
Energy: 1.3639889275760828
Energy: 1.3352398130139
Energy: 1.3905791379055792
Energy: 1.3457772591494837
Energy: 1.390579137904252
Energy: 1.3352398130125729
Energy: 1.390579137904252
Energy: 1.3335839206219182
Energy: 1.3481527189658007
Energy: 1.3553700210956996
Energy: 1.3481527187230231
Energy: 1.3335839206205908
Energy: 1.3481527179734232
Energy: 1.3589794737933518
Energy: 1.4839994508827583
Energy: 1.3468565509118018
Energy: 1.483999450860194
Energy: 1.3589794737933518
Energy: 1.4839994508774492
Energy: 1.3604092259543457
Energy: 1.3946354448961213
Energy: 1.3614475355223752
Energy: 1.3946354448934668
Energy: 1.3604092259543457
Energy: 1.3946354448934668
Energy: 1.3612421244508117
Energy: 1.3695118516422593
Energy: 1.3521179884077876
Energy: 1.3695118516568596
Energy: 1.3612421244508117
Energy: 1.3695118516502232
Energy: 1.3604512356704972
Energy: 1.3772436456508628
Energy: 1.3610601650765517
Energy: 1.377243636862632
Energy: 1.3604512356704972
Energy: 1.3772436400043218
Energy: 1.3624476509255539
Energy: 1.3771670256664397
Energy: 1.3561477159843789
Energy: 1.377167025483331
Energy: 1.3624476509255539
Energy: 1.3771670254422144
Energy: 1.445078015551333
Energy: 1.492477035958028
Energy: 1.3496769410698155
Energy: 1.492477035958028
Energy: 1.4450780155500056
Energy: 1.4924770359593549
Energy: 1.3335342310057041
Energy: 1.3467218006941695
Energy: 1.3506190854786857
Energy: 1.3467217511821623
Energy: 1.3335342310057041
Energy: 1.346721828316581
Energy: 1.3334359657370096
Energy: 1.4007078693649286
Energy: 1.3377568081533184
Energy: 1.4007078693689106
Energy: 1.333435965738337
Energy: 1.400707869366256
Energy: 1.44493140240282
Energy: 1.3700254318355267
Energy: 1.3465628429861194
Energy: 1.3700254303177741
Energy: 1.444931402404147
Energy: 1.3700254357254893
Energy: 1.3597041250124484
Energy: 1.3644459091406351
Energy: 1.337869062379424
Energy: 1.3644458429915125
Energy: 1.3597041250124484
Energy: 1.3644458049291195
Energy: 1.3585247820519528
Energy: 1.4581121245419484
Energy: 1.3478512376285543
Energy: 1.4581121245140747
Energy: 1.3585247820519528
Energy: 1.4581121245114201
Energy: 1.3593797290413054
Energy: 1.3733568407752998
Energy: 1.3500133528277516
Energy: 1.3733568407952097
Energy: 1.3593797290426326
Energy: 1.3733568408416352

minimum gb energy = 1.3334359657370096 eV
minimum distance =  2.30332915294049 Angstroms
sigma value = 27


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

Energy: 1.4468806000526861
Energy: 1.351594826114265
Energy: 1.5533271489665128
Energy: 1.3515948278532801
Energy: 1.4468806000515673
Energy: 1.3515948304969956
Energy: 1.3590068089873166
Energy: 1.349191743602124
Energy: 1.337761384272543
Energy: 1.3491917436010052
Energy: 1.3590068089873166
Energy: 1.3491917435998864
Energy: 1.357463844739727
Energy: 1.356273251729123
Energy: 1.3382041316652489
Energy: 1.356273251729123
Energy: 1.357463844739727
Energy: 1.3562732517280045
Energy: 1.3405837161259828
Energy: 1.4562036937764868
Energy: 1.405558065248138
Energy: 1.4562036937764868
Energy: 1.3405837161259828
Energy: 1.4562036937764868
Energy: 1.3517288985150016
Energy: 1.507691901563413
Energy: 1.3396403111636344
Energy: 1.5076919015645318
Energy: 1.3517288985150016
Energy: 1.5076919015656507
Energy: 1.3568350384881827
Energy: 1.3564483440221506
Energy: 1.3551449637184387
Energy: 1.3564483439237192
Energy: 1.3568350384881827
Energy: 1.3564483440299568
Energy: 1.339942170036122
Energy: 1.4563037613422185
Energy: 1.3393508879533145
Energy: 1.4563037613422185
Energy: 1.3399421700350034
Energy: 1.4563037613422185
Energy: 1.3514512387947508
Energy: 1.4255465007738308
Energy: 1.339442389381627
Energy: 1.4255465007738308
Energy: 1.3514512387936322
Energy: 1.4255465007749495
Energy: 1.4688227392334787
Energy: 1.4568610321142683
Energy: 1.436610538187549
Energy: 1.4568610321142683
Energy: 1.4688227392334787
Energy: 1.4568610321142683
Energy: 1.3393628852965926
Energy: 1.3387533429259364
Energy: 1.384734370866097
Energy: 1.3387533428018228
Energy: 1.3393628852965926
Energy: 1.3387533429158927
Energy: 1.3393143209142777
Energy: 1.3378234612659203
Energy: 1.3841818323383759
Energy: 1.3378234589420124
Energy: 1.3393143209153966
Energy: 1.3378234621784775
Energy: 1.4704629111255647
Energy: 1.449146123811385
Energy: 1.4364531863639531
Energy: 1.449146123811385
Energy: 1.4704629111255647
Energy: 1.449146123810266
Energy: 1.3516425579814244
Energy: 1.3999129876507406
Energy: 1.338053837378742
Energy: 1.3999129876328396
Energy: 1.3516425579814244
Energy: 1.3999129876216767
Energy: 1.339640034101427
Energy: 1.4564820859357464
Energy: 1.338233819238013
Energy: 1.4564820859357464
Energy: 1.339640034101427
Energy: 1.4564820859368652
Energy: 1.3568071798685284
Energy: 1.3559402258340039
Energy: 1.3551542006781405
Energy: 1.3559402258049142
Energy: 1.3568071798674095
Energy: 1.355940225811627
Energy: 1.3516927671701338
Energy: 1.507691901563413
Energy: 1.340340741898767
Energy: 1.507691901563413
Energy: 1.3516927671701338
Energy: 1.5076919015611756
Energy: 1.3401924046602076
Energy: 1.4563931491539193
Energy: 1.3587449990404628
Energy: 1.4563931491539193
Energy: 1.3401924046613265
Energy: 1.4563931491539193
Energy: 1.357492253937543
Energy: 1.3566264202946205
Energy: 1.3373800832225156
Energy: 1.3566264202923826
Energy: 1.357492253937543
Energy: 1.3566264202935017
Energy: 1.3588779538362936
Energy: 1.3489359072940146
Energy: 1.3394563682788303
Energy: 1.348935907297371
Energy: 1.3588779538362936
Energy: 1.348935907297371
Energy: 1.4468806000504484
Energy: 1.3515948295833196
Energy: 1.5533271489687508
Energy: 1.3515948306043777
Energy: 1.4468806000493295
Energy: 1.3515948300351228
Energy: 1.3590068089873166
Energy: 1.349191743602124
Energy: 1.337761384272543
Energy: 1.349191743602124
Energy: 1.3590068089873166
Energy: 1.3491917436010052
Energy: 1.357463844739727
Energy: 1.3562732517302418
Energy: 1.3382041316652489
Energy: 1.3562732517302418
Energy: 1.357463844739727
Energy: 1.356273251729123
Energy: 1.3405837161259828
Energy: 1.4562036937764868
Energy: 1.405558065249257
Energy: 1.4562036937764868
Energy: 1.3405837161259828
Energy: 1.4562036937764868
Energy: 1.3517288985150016
Energy: 1.507691901562294
Energy: 1.3396403111625155
Energy: 1.507691901562294
Energy: 1.3517288985161202
Energy: 1.507691901562294
Energy: 1.3568350384881827
Energy: 1.3564483440590465
Energy: 1.3551449637206763
Energy: 1.3564483440243882
Energy: 1.3568350384881827
Energy: 1.3564483438924175

minimum gb energy = 1.3373800832225156 eV
minimum distance =  2.30677540375461 Angstroms
sigma value = 19


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

Energy: 1.474322622349989
Energy: 1.331367736879138
Energy: 1.4509021596782925
Energy: 1.331367736879138
Energy: 1.4743226223509547
Energy: 1.3313677368801036
Energy: 1.307776378880891
Energy: 1.3361041196054606
Energy: 1.3159486945446932
Energy: 1.3361041203593915
Energy: 1.3077763788818568
Energy: 1.3361041210766236
Energy: 1.3261934945892135
Energy: 1.3884008005957587
Energy: 1.3156023833286592
Energy: 1.3884008008496225
Energy: 1.3261934945892135
Energy: 1.3884008006835993
Energy: 1.3092652823916964
Energy: 1.3354553780094969
Energy: 1.332406857927964
Energy: 1.3354553780114282
Energy: 1.3092652823907305
Energy: 1.335455377991169
Energy: 1.308675210052109
Energy: 1.39629274076462
Energy: 1.3334763499300344
Energy: 1.39629274076462
Energy: 1.308675210052109
Energy: 1.39629274076462
Energy: 1.3294004985402605
Energy: 1.3976734585068273
Energy: 1.336345292370276
Energy: 1.3976734585068273
Energy: 1.3294004985392949
Energy: 1.3976734585068273
Energy: 1.3079109379646878
Energy: 1.4564619792625568
Energy: 1.3322004275984862
Energy: 1.456461979258716
Energy: 1.3079109379637222
Energy: 1.4564619792596813
Energy: 1.3091444044159983
Energy: 1.3972805735879539
Energy: 1.3368828232253658
Energy: 1.397280573586988
Energy: 1.309144404416964
Energy: 1.397280573586988
Energy: 1.3088621925157258
Energy: 1.3957835913343621
Energy: 1.3864202472689502
Energy: 1.3957835913343621
Energy: 1.3088621925137944
Energy: 1.395783591335328
Energy: 1.3117063301906948
Energy: 1.402358341855968
Energy: 1.3147416058404207
Energy: 1.4023583418550023
Energy: 1.3117063301906948
Energy: 1.4023583418550023
Energy: 1.3093193098717837
Energy: 1.310920705783339
Energy: 1.328831228192834
Energy: 1.3109207057814074
Energy: 1.3093193098717837
Energy: 1.310920705783339
Energy: 1.3589752152552765
Energy: 1.3148334298097233
Energy: 1.3161999400369104
Energy: 1.3148334298116549
Energy: 1.3589752152552765
Energy: 1.3148334298106892
Energy: 1.3577755787904735
Energy: 1.3152586767876508
Energy: 1.3156549743945953
Energy: 1.3152586767886165
Energy: 1.3577755787914394
Energy: 1.3152586767876508
Energy: 1.32929874181952
Energy: 1.310805179074311
Energy: 1.3433241623921437
Energy: 1.310805178732585
Energy: 1.329298741818554
Energy: 1.3108051792963487
Energy: 1.3093121534838033
Energy: 1.395176687931476
Energy: 1.3179965085272851
Energy: 1.3951766879334075
Energy: 1.3093121534828374
Energy: 1.3951766879334075
Energy: 1.3075260712264694
Energy: 1.3964725876982163
Energy: 1.3167452411094038
Energy: 1.3964725876953192
Energy: 1.3075260712274348
Energy: 1.3964725876953192
Energy: 1.3268359671116507
Energy: 1.3960740190344787
Energy: 1.320412049007809
Energy: 1.3960740190344787
Energy: 1.3268359671116507
Energy: 1.3960740190344787
Energy: 1.307504119584132
Energy: 1.4118901594674922
Energy: 1.3163887227758186
Energy: 1.4118901594501083
Energy: 1.307504119584132
Energy: 1.411890159463629
Energy: 1.3267907697898267
Energy: 1.3963047858353774
Energy: 1.3203903113267834
Energy: 1.3963047858344115
Energy: 1.3267907697907926
Energy: 1.3963047858353774
Energy: 1.307462070921082
Energy: 1.3964245286456185
Energy: 1.316324039113838
Energy: 1.39642452864755
Energy: 1.307462070921082
Energy: 1.396424528648516
Energy: 1.3091943802422832
Energy: 1.3954393901401432
Energy: 1.3182213326963326
Energy: 1.395439390141109
Energy: 1.3091943802422832
Energy: 1.395439390141109
Energy: 1.32939441452375
Energy: 1.309830826202936
Energy: 1.3441155256311514
Energy: 1.309830826202936
Energy: 1.3293944145227843
Energy: 1.3098308262058334
Energy: 1.3583150869736564
Energy: 1.3147081465699233
Energy: 1.3144174351679787
Energy: 1.3147081465660602
Energy: 1.3583150869726905
Energy: 1.3147081465689574
Energy: 1.3593381124615995
Energy: 1.315425127940618
Energy: 1.315761008328925
Energy: 1.315425127943493
Energy: 1.3593381124615995
Energy: 1.315425127940618
Energy: 1.3090037122072782
Energy: 1.3109931371926427
Energy: 1.3146669837595142
Energy: 1.3109931371916768
Energy: 1.3090037122072782
Energy: 1.3109931371926427
Energy: 1.3115709460615614
Energy: 1.4022157126228019
Energy: 1.3147217416677939
Energy: 1.4022157126237678
Energy: 1.3115709460615614
Energy: 1.4022157126237678
Energy: 1.30870535932769
Energy: 1.3961705174491703
Energy: 1.3945941095777221
Energy: 1.3961705174482044
Energy: 1.3087053593267242
Energy: 1.3961705174482044
Energy: 1.3082574864896193
Energy: 1.3969662641096814
Energy: 1.3369602077863063
Energy: 1.3969662641077503
Energy: 1.3082574864876875
Energy: 1.396966264108716
Energy: 1.3080412693999384
Energy: 1.456461979258716
Energy: 1.3322176053168626
Energy: 1.4564619792596813
Energy: 1.3080412693999384
Energy: 1.4564619792596813

minimum gb energy = 1.307462070921082 eV
minimum distance =  2.30424434515204 Angstroms
sigma value = 101


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

Energy: 1.4385006176975081
Energy: 1.2922127070462426
Energy: 1.4909869701833718
Energy: 1.2922127070428855
Energy: 1.438500617694961
Energy: 1.2922127070445835
Energy: 1.2913952859710265
Energy: 1.2786801442800917
Energy: 1.2897944799213987
Energy: 1.278680144290279
Energy: 1.2913952859701776
Energy: 1.2786801442860343
Energy: 1.2794554581867488
Energy: 1.2679884889844908
Energy: 1.2904117988079205
Energy: 1.2679884889709077
Energy: 1.2794554581867488
Energy: 1.2679884889743032
Energy: 1.2663234314965865
Energy: 1.2847766943322079
Energy: 1.279932512976327
Energy: 1.2847766943551295
Energy: 1.2663234314931906
Energy: 1.3359461760936338
Energy: 1.2663217422426116
Energy: 1.2796175188306802
Energy: 1.2799563785045955
Energy: 1.2796175188841254
Energy: 1.2663217422426116
Energy: 1.279617518895162
Energy: 1.2796735392172949
Energy: 1.3707186981544361
Energy: 1.2694406122570554
Energy: 1.3707186981544361
Energy: 1.279673539215597
Energy: 1.3707186981544361
Energy: 1.2796174373368914
Energy: 1.4002889009637154
Energy: 1.2659055568490176
Energy: 1.4002889009637154
Energy: 1.2796174373368914
Energy: 1.4002889009637154
Energy: 1.2789856965133022
Energy: 1.3995063510087367
Energy: 1.2821083769376425
Energy: 1.3995063510087367
Energy: 1.2789856965133022
Energy: 1.3995063510087367
Energy: 1.266054652947664
Energy: 1.3719947271600743
Energy: 1.2799666299531922
Energy: 1.3719947271600743
Energy: 1.266054652947664
Energy: 1.3719947271600743
Energy: 1.2660327659476227
Energy: 1.3723022224405914
Energy: 1.266820847007075
Energy: 1.3723022224405914
Energy: 1.2660327659484718
Energy: 1.3723022224405914
Energy: 1.3022799770637934
Energy: 1.3815232830774669
Energy: 1.3419888869587921
Energy: 1.3815232830783155
Energy: 1.3022799770646423
Energy: 1.3815232830783155
Energy: 1.2895949028880118
Energy: 1.2669049645503156
Energy: 1.2679322259120818
Energy: 1.2669049645503156
Energy: 1.289594902887163
Energy: 1.2669049645503156
Energy: 1.2908711302345743
Energy: 1.26692059021198
Energy: 1.2664430321704883
Energy: 1.2669205935867585
Energy: 1.290871130235423
Energy: 1.266920592083071
Energy: 1.2800484344869334
Energy: 1.288330723387284
Energy: 1.2914347572109273
Energy: 1.288330723386435
Energy: 1.2800484344860845
Energy: 1.288330723386435
Energy: 1.277884207120077
Energy: 1.3772348968566135
Energy: 1.2907196095879465
Energy: 1.3772348968574628
Energy: 1.277884207120077
Energy: 1.3772348968574628
Energy: 1.2897509275768635
Energy: 1.2684879484823313
Energy: 1.2797671318271453
Energy: 1.2684879484823313
Energy: 1.2897509275751657
Energy: 1.2684879484814822
Energy: 1.26569048694076
Energy: 1.280325551517958
Energy: 1.2664760191419175
Energy: 1.2803255515111664
Energy: 1.26569048694076
Energy: 1.2803255515205045
Energy: 1.2812333361767478
Energy: 1.354965655675108
Energy: 1.2658628852705984
Energy: 1.354965655674259
Energy: 1.2812333361767478
Energy: 1.354965655674259
Energy: 1.2803586465066459
Energy: 1.374233463646696
Energy: 1.2792295447347344
Energy: 1.3742334636475448
Energy: 1.2803586465066459
Energy: 1.3742334636475448
Energy: 1.266782905785979
Energy: 1.4009122422162525
Energy: 1.265982394811745
Energy: 1.4009122422162525
Energy: 1.2667829057868278
Energy: 1.4009122422171019
Energy: 1.2935243052578183
Energy: 1.3555426133952633
Energy: 1.2793562119933015
Energy: 1.355542613396112
Energy: 1.29352430525612
Energy: 1.3555426133952633
Energy: 1.2675328096736658
Energy: 1.3705803044925184
Energy: 1.2660727192623984
Energy: 1.3705803044916693
Energy: 1.2675328096745149
Energy: 1.3705803044916693
Energy: 1.27848899250551
Energy: 1.370691037200395
Energy: 1.2660780388348107
Energy: 1.370691037200395
Energy: 1.27848899250551
Energy: 1.370691037200395
Energy: 1.2662561732162076
Energy: 1.322174253056769
Energy: 1.3295277794612423
Energy: 1.3221742530423366
Energy: 1.2662561732119628
Energy: 1.3221742530058704
Energy: 1.2660825089747798
Energy: 1.3518572192434921
Energy: 1.2661411450060354
Energy: 1.3518572192256644
Energy: 1.2660825089747798
Energy: 1.3518572192214195
Energy: 1.2672026588638134
Energy: 1.2674175574234703
Energy: 1.2899534654409122
Energy: 1.2674175574234703
Energy: 1.2672026588638134
Energy: 1.2674175574251683
Energy: 1.2905593159801205
Energy: 1.266800020078865
Energy: 1.266292061932799
Energy: 1.2668000200805627
Energy: 1.2905593159801205
Energy: 1.2668000200797136
Energy: 1.2909618691625053
Energy: 1.2664528573855929
Energy: 1.2668831470078876
Energy: 1.2664528573872906
Energy: 1.2909618691633542
Energy: 1.2664528573864415
Energy: 1.3559174616945304
Energy: 1.2662975596543058
Energy: 1.3600000303217668
Energy: 1.2662975596543058
Energy: 1.3559174616945304
Energy: 1.2662975596551547
Energy: 1.2656918370166337
Energy: 1.2720044951901686
Energy: 1.2670381270817446
Energy: 1.2720044952113925
Energy: 1.2656918370157848
Energy: 1.2720044952037517
Energy: 1.266404822808033
Energy: 1.3536077744848451
Energy: 1.279087671293306
Energy: 1.3536077744856942
Energy: 1.266404822808033
Energy: 1.3536077744856942
Energy: 1.2667103164621054
Energy: 1.3754392237222628
Energy: 1.268778719083241
Energy: 1.3754392237222628
Energy: 1.2667103164638034
Energy: 1.375439223723112
Energy: 1.2658467305493715
Energy: 1.4116650041167316
Energy: 1.2773874139396069
Energy: 1.4116650041133358
Energy: 1.2658467305493715
Energy: 1.411665004112487

minimum gb energy = 1.26569048694076 eV
minimum distance =  2.30797036779112 Angstroms
sigma value = 33


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

Energy: 0.014887948916205573
Energy: 0.016059264541202517
Energy: 1.2802839242833979
Energy: 0.016059264541202517
Energy: 0.014887948916205573
Energy: 0.016059264541202517
Energy: 0.015099278313797416
Energy: 0.7610209123507528
Energy: 0.015099278313797416
Energy: 0.7610209123507528
Energy: 0.015099278313797416
Energy: 0.7610209123507528
Energy: 1.280283924284064
Energy: 0.016059264541202517
Energy: 0.014887948916205573
Energy: 0.016059264541202517
Energy: 1.280283924284064
Energy: 0.016059264541202517
Energy: 0.015099278313797416
Energy: 0.7610209123507528
Energy: 0.015099278313797416
Energy: 0.7610209123507528
Energy: 0.015099278313797416
Energy: 0.7610209123507528

minimum gb energy = 0.014887948916205573 eV
minimum distance =  2.45058046518379 Angstroms
sigma value = 1