Model name: model_name=Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_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=2.850997872650624
cohesive_energy=4.280336178503186
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: 0.013295524841893074
Energy: 0.013534915940498849
Energy: 0.3831536101627455
Energy: 0.013534915940498849
Energy: 0.013295524841893074
Energy: 0.013534915940498849
Energy: 0.013534915940498849
Energy: 2.946706239223933
Energy: 0.013534915940498849
Energy: 3.466847899514791
Energy: 0.013534915940498849
Energy: 2.946706239222477
Energy: 0.3831536101627455
Energy: 0.013534915940498849
Energy: 0.013295524841893074
Energy: 0.013534915940498849
Energy: 0.3831536101627455
Energy: 0.013534915940498849
Energy: 0.013534915940498849
Energy: 3.4668478995142866
Energy: 0.013534915940498849
Energy: 3.4527002968224596
Energy: 0.013534915940498849
Energy: 2.946706239218527
Energy: 0.013295524842397283
Energy: 0.013534915940498849
Energy: 0.3831536101627455
Energy: 0.013534915940498849
Energy: 0.013295524842397283
Energy: 0.013534915940498849
Energy: 0.013534915940498849
Energy: 2.946706239222477
Energy: 0.013534915940498849
Energy: 2.946706239218527
Energy: 0.013534915940498849
Energy: 2.9467062392234573

minimum gb energy = 0.013295524841893074 eV
minimum distance =  2.40202658919808 Angstroms
sigma value = 1


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

Energy: 1.5184473363041682
Energy: 1.4612707516392747
Energy: 1.308819015108787
Energy: 1.461270751638061
Energy: 1.5184473363041682
Energy: 1.4612707516392747
Energy: 1.3207713332291036
Energy: 1.3756362241058915
Energy: 1.3252461767614554
Energy: 1.3756362241046776
Energy: 1.3207713332291036
Energy: 1.3756362241058915
Energy: 1.2323176499337993
Energy: 1.4395104349294519
Energy: 1.5164070904583278
Energy: 1.4395104349294519
Energy: 1.2323176499337993
Energy: 1.4395104349306656
Energy: 1.3328799808396727
Energy: 1.390992027313631
Energy: 1.287091978029257
Energy: 1.3909920273124172
Energy: 1.3328799808396727
Energy: 1.390992027313631
Energy: 1.3366933845058113
Energy: 1.4642640806815699
Energy: 1.378663389083325
Energy: 1.4642640806815699
Energy: 1.3366933845058113
Energy: 1.4642640806815699
Energy: 1.321414866198408
Energy: 1.4414564776176735
Energy: 1.2327536844242124
Energy: 1.4414564776164596
Energy: 1.321414866198408
Energy: 1.4414564776164596
Energy: 1.326387914556037
Energy: 1.4463320187941733
Energy: 1.2327012590558146
Energy: 1.4463320187929594
Energy: 1.326387914556037
Energy: 1.4463320187941733
Energy: 1.3369784775547477
Energy: 1.462144735457117
Energy: 1.325211338727235
Energy: 1.462144735457117
Energy: 1.3369784775547477
Energy: 1.462144735457117
Energy: 1.335773325870734
Energy: 1.3908607855263388
Energy: 1.324774085375972
Energy: 1.3908607855275528
Energy: 1.335773325870734
Energy: 1.3908607855275528
Energy: 1.5175520865463887
Energy: 1.4396493187917123
Energy: 1.2410093041776389
Energy: 1.4396493187917123
Energy: 1.5175520865463887
Energy: 1.4396493187917123
Energy: 1.33371179970966
Energy: 1.3771265563851338
Energy: 1.3233340979991783
Energy: 1.3771265563863473
Energy: 1.33371179970966
Energy: 1.3771265563875612
Energy: 1.2344099181689312
Energy: 1.4625395622416462
Energy: 1.23439999555688
Energy: 1.4625395622404325
Energy: 1.2344099181689312
Energy: 1.4625395622416462
Energy: 1.3234533107101991
Energy: 1.3771265563863473
Energy: 1.2898418412484602
Energy: 1.3771265563851338
Energy: 1.3234533107101991
Energy: 1.3771265563851338
Energy: 1.2415145465589115
Energy: 1.4399670876177342
Energy: 1.5175502133836318
Energy: 1.4399670876177342
Energy: 1.2415145465589115
Energy: 1.4399670876177342
Energy: 1.3249394409039026
Energy: 1.39117168662081
Energy: 1.3357799942776818
Energy: 1.39117168662081
Energy: 1.3249394409039026
Energy: 1.39117168662081
Energy: 1.323491740611268
Energy: 1.4623996509941386
Energy: 1.336992688219672
Energy: 1.4623996509941386
Energy: 1.323491740611268
Energy: 1.4623996509941386
Energy: 1.232732831579503
Energy: 1.4471145228344582
Energy: 1.3257281837336456
Energy: 1.4471145228344582
Energy: 1.2327328315782893
Energy: 1.4471145228356723
Energy: 1.2327397707051495
Energy: 1.441303053251208
Energy: 1.3217357714882438
Energy: 1.4413030532499942
Energy: 1.2327397707051495
Energy: 1.4413030532499942
Energy: 1.5355300312689766
Energy: 1.4639150362279045
Energy: 1.337361380633906
Energy: 1.4639150362279045
Energy: 1.5355300312689766
Energy: 1.463915036229118
Energy: 1.28719190172856
Energy: 1.3911544153165831
Energy: 1.332979957514967
Energy: 1.3911544153165831
Energy: 1.28719190172856
Energy: 1.391154415317797
Energy: 1.5163567757746528
Energy: 1.4394326736758307
Energy: 1.2323373710584125
Energy: 1.4394326736758307
Energy: 1.5163567757746528
Energy: 1.4394326736770444
Energy: 1.3255186283866702
Energy: 1.3770193637010983
Energy: 1.323407863261616
Energy: 1.3770193636853207
Energy: 1.3255186283866702
Energy: 1.3770193636149817
Energy: 1.4249453188129948
Energy: 1.461270751638061
Energy: 1.5184473363041682
Energy: 1.4612707516392747
Energy: 1.4249453188129948
Energy: 1.4612707516392747

minimum gb energy = 1.2323176499337993 eV
minimum distance =  2.28328150271379 Angstroms
sigma value = 33


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

Energy: 1.503399454516472
Energy: 1.547073626183662
Energy: 1.3550876019665645
Energy: 1.547073626183662
Energy: 1.5033994545178528
Energy: 1.547073626183662
Energy: 1.4352560255768834
Energy: 1.483442211119814
Energy: 1.5054422267111012
Energy: 1.4834422111205046
Energy: 1.4352560255768834
Energy: 1.4834422111191234
Energy: 1.3043339393101951
Energy: 1.5549425057590167
Energy: 1.4960962385640952
Energy: 1.5549425057590167
Energy: 1.3043339393101951
Energy: 1.5549425057597068
Energy: 1.4652169915086346
Energy: 1.4854307545937029
Energy: 1.5051385265076123
Energy: 1.4854307545943932
Energy: 1.4652169915086346
Energy: 1.4854307545937029
Energy: 1.4648511723217907
Energy: 1.5283030188318045
Energy: 1.4849507932687396
Energy: 1.5283030188318045
Energy: 1.4648511723217907
Energy: 1.5283030188318045
Energy: 1.4952857787941636
Energy: 1.526211697159204
Energy: 1.3090968086674502
Energy: 1.526211697159204
Energy: 1.4952857787955447
Energy: 1.526211697159204
Energy: 1.495561650764065
Energy: 1.522939344460962
Energy: 1.3997333088765362
Energy: 1.5229393444616521
Energy: 1.495561650764065
Energy: 1.5229393444616521
Energy: 1.335974278171472
Energy: 1.5351640301047274
Energy: 1.5176773567883952
Energy: 1.5351640301047274
Energy: 1.335974278171472
Energy: 1.5351640301047274
Energy: 1.441638063348944
Energy: 1.486589360342413
Energy: 1.4972134090265488
Energy: 1.486589360342413
Energy: 1.4416380633496344
Energy: 1.4865893603417228
Energy: 1.4405155172475153
Energy: 1.5579939303069414
Energy: 1.4612655425918142
Energy: 1.5579939303069414
Energy: 1.4405155172475153
Energy: 1.5579939303069414
Energy: 1.4261372866003514
Energy: 1.643447762635396
Energy: 1.5053736549796763
Energy: 1.643447762635396
Energy: 1.4261372866003514
Energy: 1.643447762635396
Energy: 1.7048377237820946
Energy: 1.538541178100184
Energy: 1.4165526547937517
Energy: 1.538541178100184
Energy: 1.7048377237820946
Energy: 1.538541178100184
Energy: 1.506380478954482
Energy: 1.500215641501339
Energy: 1.4043122662497514
Energy: 1.5002156415020294
Energy: 1.506380478954482
Energy: 1.500215641501339
Energy: 1.4731942886614526
Energy: 1.5535657159139562
Energy: 1.496633611062448
Energy: 1.5535657159139562
Energy: 1.4731942886614526
Energy: 1.5535657159139562
Energy: 1.498123788641413
Energy: 1.5248245288767093
Energy: 1.4905977158420078
Energy: 1.5248245288767093
Energy: 1.4981237886421033
Energy: 1.5248245288767093
Energy: 1.498695230411305
Energy: 1.5267308250161387
Energy: 1.417024079858422
Energy: 1.526730825015448
Energy: 1.498695230411305
Energy: 1.5267308250161387
Energy: 1.5064533090883745
Energy: 1.5269761047102144
Energy: 1.4439283882256861
Energy: 1.526976104709524
Energy: 1.5064533090876842
Energy: 1.5269761047102144
Energy: 1.5057563426112797
Energy: 1.51470226851836
Energy: 1.5239556536148133
Energy: 1.51470226851836
Energy: 1.5057563426112797
Energy: 1.51470226851836
Energy: 1.3092355504825697
Energy: 1.53073338543695
Energy: 1.489719732105938
Energy: 1.53073338543695
Energy: 1.3092355504825697
Energy: 1.53073338543695
Energy: 1.435309807926947
Energy: 1.486155688957568
Energy: 1.497130210708456
Energy: 1.486155688957568
Energy: 1.435309807926947
Energy: 1.4861556889582581
Energy: 1.7033428548251617
Energy: 1.5579999887381557
Energy: 1.3436322206609095
Energy: 1.5579999887381557
Energy: 1.7033428548251617
Energy: 1.5579999887374654
Energy: 1.3607707155065318
Energy: 1.414693296208025
Energy: 1.5055815755587727
Energy: 1.4146932961686753
Energy: 1.3607707155072224
Energy: 1.4146932960858656
Energy: 1.4431077958571736
Energy: 1.5388802991044512
Energy: 1.5046695510373762
Energy: 1.5388802991044512
Energy: 1.4431077958571736
Energy: 1.5388802991044512
Energy: 1.5056597268433856
Energy: 1.5140806174769552
Energy: 1.5057561062038691
Energy: 1.5140806174769552
Energy: 1.5056597268399339
Energy: 1.5140806174769552
Energy: 1.4754958537477596
Energy: 1.5274542330979721
Energy: 1.4967145634528114
Energy: 1.5274542330979721
Energy: 1.4754958537477596
Energy: 1.5274542330979721
Energy: 1.4970354315997239
Energy: 1.5545506650199532
Energy: 1.3629515189940378
Energy: 1.5545506650199532
Energy: 1.497035431600383
Energy: 1.5545506650199532
Energy: 1.4976492601977116
Energy: 1.554794535201451
Energy: 1.3988052572363225
Energy: 1.5547945352007608
Energy: 1.4976492601977116
Energy: 1.554794535201451
Energy: 1.4770341550126602
Energy: 1.5273554574415023
Energy: 1.4953110647564782
Energy: 1.5273554574415023
Energy: 1.47703415501197
Energy: 1.5273554574415023
Energy: 1.5057704631040159
Energy: 1.514109859651737
Energy: 1.5057866883837963
Energy: 1.514109859651737
Energy: 1.5057704631040159
Energy: 1.514109859651047
Energy: 1.4431087957816489
Energy: 1.53887259366511
Energy: 1.5046860036549272
Energy: 1.5388725936658003
Energy: 1.4431087957816489
Energy: 1.53887259366511
Energy: 1.360685810788139
Energy: 1.4146932961610816
Energy: 1.5055450146621399
Energy: 1.414693295980306
Energy: 1.3606858107902102
Energy: 1.4146932960624252
Energy: 1.7031992679104104
Energy: 1.5579777243275046
Energy: 1.3437091446855676
Energy: 1.5579777243275046
Energy: 1.7031992679104104
Energy: 1.5579777243275046
Energy: 1.4352770139711215
Energy: 1.4860591747665792
Energy: 1.497108395164199
Energy: 1.4860591747665792
Energy: 1.4352770139711215
Energy: 1.4860591747665792
Energy: 1.3092375659056716
Energy: 1.5308572353951333
Energy: 1.5109025455437182
Energy: 1.5308572353951333
Energy: 1.3092375659056716
Energy: 1.5308572353951333
Energy: 1.505942926391085
Energy: 1.5143385179867932
Energy: 1.5144854360779578
Energy: 1.5143385179867932
Energy: 1.5059429263917756
Energy: 1.5143385179867932
Energy: 1.506594668448138
Energy: 1.5270970629823821
Energy: 1.460984675762845
Energy: 1.527097062981692
Energy: 1.506594668448138
Energy: 1.527097062981692
Energy: 1.498199001939199
Energy: 1.5269924436956723
Energy: 1.4726150020909579
Energy: 1.5269924436963629
Energy: 1.498199001939199
Energy: 1.5269924436956723
Energy: 1.4981440964076713
Energy: 1.5248225685931074
Energy: 1.4902301825125976
Energy: 1.5248225685931074
Energy: 1.4981440964090518
Energy: 1.5248225685931074
Energy: 1.473337449260229
Energy: 1.553607980570314
Energy: 1.4967294059180483
Energy: 1.553607980570314
Energy: 1.473337449260229
Energy: 1.553607980570314
Energy: 1.506618204624725
Energy: 1.5002095650822496
Energy: 1.4042122559181578
Energy: 1.5002095650822496
Energy: 1.506618204624725
Energy: 1.5002095650815592
Energy: 1.704863536651228
Energy: 1.5384913482517713
Energy: 1.472436247501737
Energy: 1.5384913482517713
Energy: 1.704863536651228
Energy: 1.5384913482517713

minimum gb energy = 1.3043339393101951 eV
minimum distance =  2.26145048145091 Angstroms
sigma value = 51


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

Energy: 1.893141314486827
Energy: 1.597471146255281
Energy: 1.4538824519894837
Energy: 1.597471146255281
Energy: 1.893141314486827
Energy: 1.597471146255281
Energy: 1.3963307370742888
Energy: 1.8214752152325333
Energy: 1.7723476834671614
Energy: 1.8214752152325333
Energy: 1.3963307370742888
Energy: 1.8214752152309337
Energy: 1.3374656532789877
Energy: 1.5978296453965977
Energy: 1.6666036403218296
Energy: 1.5978296453965977
Energy: 1.3374656532789877
Energy: 1.5978296453965977
Energy: 1.3532579396779625
Energy: 1.5410474492456836
Energy: 1.7704287276036412
Energy: 1.5410474492472832
Energy: 1.3532579396779625
Energy: 1.5410474492472832
Energy: 1.3378661162403431
Energy: 1.5343691523964953
Energy: 1.6244920720700706
Energy: 1.5343691523948957
Energy: 1.3378661162403431
Energy: 1.5343691523964953
Energy: 1.7114099360374524
Energy: 1.540852436358414
Energy: 1.7755593028442311
Energy: 1.540852436358414
Energy: 1.7114099360374524
Energy: 1.540852436358414
Energy: 1.7110436499698913
Energy: 1.53947030867117
Energy: 1.5508068061515647
Energy: 1.53947030867117
Energy: 1.7110436499698913
Energy: 1.53947030867117
Energy: 1.354286087812981
Energy: 1.5416401354899385
Energy: 1.3417644405067346
Energy: 1.5416401354899385
Energy: 1.3542860878145806
Energy: 1.5416401354899385
Energy: 1.711799030701129
Energy: 1.552988655264257
Energy: 1.3758388867260287
Energy: 1.552988655264257
Energy: 1.711799030701129
Energy: 1.552988655264257
Energy: 1.3368230293160461
Energy: 1.598764992096947
Energy: 1.341578687447207
Energy: 1.598764992096947
Energy: 1.3368230293176457
Energy: 1.598764992096947
Energy: 1.7123898779413245
Energy: 1.8156914702992488
Energy: 1.7695013789582303
Energy: 1.8156914702992488
Energy: 1.7123898779413245
Energy: 1.8156914702992488
Energy: 1.7114866960184032
Energy: 1.5983358658884128
Energy: 1.7748682585923719
Energy: 1.5983358658900124
Energy: 1.7114866960184032
Energy: 1.5983358658884128
Energy: 1.5300813628474497
Energy: 1.8171771590678925
Energy: 1.7694860085217512
Energy: 1.8171771590678925
Energy: 1.5300813628474497
Energy: 1.8171771590678925
Energy: 1.3370461639589688
Energy: 1.598408755369856
Energy: 1.7701230015496783
Energy: 1.5984087553714554
Energy: 1.3370461639589688
Energy: 1.598408755369856
Energy: 1.337053592934984
Energy: 1.6025091269195149
Energy: 1.769519695221661
Energy: 1.6025091269195149
Energy: 1.337053592934984
Energy: 1.6025091269195149
Energy: 1.3380834151172514
Energy: 1.5343653008636484
Energy: 1.7699197982614563
Energy: 1.5343653008636484
Energy: 1.3380834151172514
Energy: 1.534365300862049
Energy: 1.7115223038850005
Energy: 1.5980186640905933
Energy: 1.7738716759032669
Energy: 1.5980186640905933
Energy: 1.7115223038850005
Energy: 1.5980186640905933
Energy: 1.7113727272658008
Energy: 1.5356119386933411
Energy: 1.7696162636731156
Energy: 1.5356119386933411
Energy: 1.7113727272658008
Energy: 1.5356119386933411

minimum gb energy = 1.3368230293160461 eV
minimum distance =  2.26820684953969 Angstroms
sigma value = 19


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

Energy: 1.7699240516831616
Energy: 1.646311993721674
Energy: 1.5805287169879692
Energy: 1.646311993721674
Energy: 1.7699240516831616
Energy: 1.646311993721674
Energy: 1.4519511562020853
Energy: 1.665019684624708
Energy: 1.6373904791117087
Energy: 1.665019684624708
Energy: 1.4519511562011365
Energy: 1.665019684624708
Energy: 1.4541528004191178
Energy: 1.6688338449138698
Energy: 1.5994328443053294
Energy: 1.6688338449138698
Energy: 1.4541528004191178
Energy: 1.6688338449138698
Energy: 1.5386560893543872
Energy: 1.653914765686313
Energy: 1.6688600050182008
Energy: 1.6539147656853643
Energy: 1.5386560893543872
Energy: 1.653914765686313
Energy: 1.501095114238122
Energy: 1.6457241710957629
Energy: 1.6753727504049851
Energy: 1.6457241710957629
Energy: 1.501095114238122
Energy: 1.6457241710957629
Energy: 1.6753786189171564
Energy: 1.6459363236989422
Energy: 1.501226865472202
Energy: 1.6459363236989422
Energy: 1.6753786189171564
Energy: 1.6459363236989422
Energy: 1.6690605544062977
Energy: 1.6538390084202548
Energy: 1.5518223354069214
Energy: 1.6538390084202548
Energy: 1.6690605544062977
Energy: 1.6538390084202548
Energy: 1.599384131758836
Energy: 1.6688358881441159
Energy: 1.4541442158336577
Energy: 1.6688358881441159
Energy: 1.599384131758836
Energy: 1.6688358881441159
Energy: 1.6376153135124245
Energy: 1.6645192363203611
Energy: 1.4519974598059384
Energy: 1.6645192363203611
Energy: 1.6376153135124245
Energy: 1.6645192363203611
Energy: 1.580528716988918
Energy: 1.646311993721674
Energy: 1.7699240516831616
Energy: 1.646311993721674
Energy: 1.580528716988918
Energy: 1.646311993721674
Energy: 1.6373904791117087
Energy: 1.665019684624708
Energy: 1.4519511562020853
Energy: 1.665019684624708
Energy: 1.6373904791117087
Energy: 1.6650196846256566
Energy: 1.5994328443053294
Energy: 1.6688338449138698
Energy: 1.4541528004191178
Energy: 1.6688338449138698
Energy: 1.5994328443053294
Energy: 1.6688338449138698
Energy: 1.6688600050172522
Energy: 1.653914765686313
Energy: 1.5859855688280646
Energy: 1.6539147656853643
Energy: 1.6688600050182008
Energy: 1.6539147656853643
Energy: 1.665188624068688
Energy: 1.6457241710957629
Energy: 1.5010951142390707
Energy: 1.6457241710957629
Energy: 1.665188624068688
Energy: 1.6457241710957629
Energy: 1.501226865472202
Energy: 1.645936323699891
Energy: 1.6751754064270608
Energy: 1.6459363236989422
Energy: 1.501226865472202
Energy: 1.6459363236989422
Energy: 1.5380689039227846
Energy: 1.6538390084202548
Energy: 1.6690605544062977
Energy: 1.6538390084202548
Energy: 1.5380689039227846
Energy: 1.6538390084202548
Energy: 1.4541442158336577
Energy: 1.6688358881441159
Energy: 1.599384131758836
Energy: 1.6688358881441159
Energy: 1.4541442158336577
Energy: 1.6688358881441159
Energy: 1.4519974598059384
Energy: 1.66451923632131
Energy: 1.6376153135124245
Energy: 1.66451923632131
Energy: 1.4519974598059384
Energy: 1.66451923632131
Energy: 1.7699240516831616
Energy: 1.646311993721674
Energy: 1.560695971753559
Energy: 1.646311993721674
Energy: 1.7699240516822128
Energy: 1.646311993721674
Energy: 1.4519511562020853
Energy: 1.665019684624708
Energy: 1.6373904791117087
Energy: 1.665019684624708
Energy: 1.4519511562011365
Energy: 1.665019684624708
Energy: 1.4541528004191178
Energy: 1.6688338449138698
Energy: 1.5994328443053294
Energy: 1.6688338449138698
Energy: 1.4541528004191178
Energy: 1.6688338449138698
Energy: 1.5859855688280646
Energy: 1.653914765686313
Energy: 1.6688600050182008
Energy: 1.6539147656853643
Energy: 1.5859855688280646
Energy: 1.653914765686313
Energy: 1.5010951142390707
Energy: 1.6457241710957629
Energy: 1.6651886240677392
Energy: 1.6457241710957629
Energy: 1.5010951142390707
Energy: 1.6457241710957629
Energy: 1.6753786189171564
Energy: 1.6459363236989422
Energy: 1.501226865472202
Energy: 1.6459363236989422
Energy: 1.6753786189171564
Energy: 1.645936323699891
Energy: 1.6690605544062977
Energy: 1.6538390084202548
Energy: 1.4737935452510627
Energy: 1.6538390084202548
Energy: 1.6690605544062977
Energy: 1.6538390084202548
Energy: 1.599384131758836
Energy: 1.6688358881441159
Energy: 1.4541442158336577
Energy: 1.6688358881441159
Energy: 1.599384131758836
Energy: 1.6688358881441159
Energy: 1.6376153135124245
Energy: 1.66451923632131
Energy: 1.4519974598059384
Energy: 1.6645192363203611
Energy: 1.6376153135124245
Energy: 1.66451923632131
Energy: 1.587109559773765
Energy: 1.646311993721674
Energy: 1.7699240516831616
Energy: 1.646311993721674
Energy: 1.5871095597747138
Energy: 1.646311993721674
Energy: 1.6373904791117087
Energy: 1.665019684624708
Energy: 1.4519511562020853
Energy: 1.6650196846256566
Energy: 1.6373904791117087
Energy: 1.6650196846256566
Energy: 1.5994328443053294
Energy: 1.6688338449138698
Energy: 1.4541528004191178
Energy: 1.6688338449138698
Energy: 1.599432844306278
Energy: 1.6688338449138698

minimum gb energy = 1.4519511562011365 eV
minimum distance =  2.2471590523122 Angstroms
sigma value = 27


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

Energy: 1.4476715822714736
Energy: 1.5741499270998993
Energy: 1.6543039892578746
Energy: 1.5741499270998993
Energy: 1.4476715822714736
Energy: 1.5741499270998993
Energy: 1.4366213018641736
Energy: 1.6025302565286594
Energy: 1.4534028856161048
Energy: 1.6025302565284218
Energy: 1.4366213018648863
Energy: 1.6025302565284218
Energy: 1.4552376508857208
Energy: 1.6474847913525648
Energy: 1.488788523898807
Energy: 1.6474847913520894
Energy: 1.4552376508859588
Energy: 1.6474847913525648
Energy: 1.4835068773650733
Energy: 1.5759955118194025
Energy: 1.4536118997059464
Energy: 1.5759955118194025
Energy: 1.4835068773655484
Energy: 1.5759955118196398
Energy: 1.5000645333721363
Energy: 1.5674039153767079
Energy: 1.5724935890176377
Energy: 1.5674039153767079
Energy: 1.500064533372374
Energy: 1.5674039153769452
Energy: 1.4534919460149915
Energy: 1.6455450269336682
Energy: 1.4894864148312217
Energy: 1.6455450269334568
Energy: 1.45349194601478
Energy: 1.6455450269336682
Energy: 1.4986583919371699
Energy: 1.580848095934523
Energy: 1.4559359812451984
Energy: 1.580848095934523
Energy: 1.4986583919371699
Energy: 1.5808480959338365
Energy: 1.44489166429201
Energy: 1.5679048206818642
Energy: 1.499973578412335
Energy: 1.5679048206816528
Energy: 1.44489166429201
Energy: 1.5679048206816528
Energy: 1.4544445539002615
Energy: 1.5680223998713343
Energy: 1.5066149765920422
Energy: 1.5680223998713343
Energy: 1.454444553899786
Energy: 1.5680223998713343
Energy: 1.453672738519398
Energy: 1.6424113550146464
Energy: 1.4535770763545375
Energy: 1.6424113550148576
Energy: 1.453672738519398
Energy: 1.6424113550146464
Energy: 1.4531978067064473
Energy: 1.5687245877225484
Energy: 1.4538599618243133
Energy: 1.5687245877225484
Energy: 1.4531978067059985
Energy: 1.5687245877225484
Energy: 1.4999214955763425
Energy: 1.5677865357667833
Energy: 1.4451021652480522
Energy: 1.5677865357670209
Energy: 1.4999214955763425
Energy: 1.5677865357670209

minimum gb energy = 1.4366213018641736 eV
minimum distance =  2.26737539542935 Angstroms
sigma value = 9


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

Energy: 1.5582722089357903
Energy: 1.6754686610563065
Energy: 1.649473390476076
Energy: 1.6754686610563065
Energy: 1.558272208935137
Energy: 1.6754686610563065
Energy: 1.516080393841282
Energy: 1.662482819779663
Energy: 1.4474964436112694
Energy: 1.674170526278745
Energy: 1.5160803938406289
Energy: 1.662482819770521
Energy: 1.4959270974365424
Energy: 1.6734616055120364
Energy: 1.4470000492745743
Energy: 1.6734616055126894
Energy: 1.4959270974365424
Energy: 1.6734616055120364
Energy: 1.4757950874560237
Energy: 1.669217980122224
Energy: 1.4847827556402413
Energy: 1.669217980122224
Energy: 1.4757950874560237
Energy: 1.669217980122224
Energy: 1.4761036632043505
Energy: 1.6551708481632639
Energy: 1.4720534861640753
Energy: 1.6551708481626108
Energy: 1.4761036632043505
Energy: 1.6551708481626108
Energy: 1.4580357898872534
Energy: 1.6265186405540666
Energy: 1.48868831587039
Energy: 1.6763960401483866
Energy: 1.4580357898866003
Energy: 1.6265186405534138
Energy: 1.5282936121069879
Energy: 1.6541972364052622
Energy: 1.443948132504711
Energy: 1.654197236403956
Energy: 1.528293612171605
Energy: 1.6541972364046091
Energy: 1.4421529507384803
Energy: 1.6710941027869788
Energy: 1.4822843934996444
Energy: 1.6710941027869788
Energy: 1.4421529507378275
Energy: 1.6710941027869788
Energy: 1.547365082365017
Energy: 1.7193855992784342
Energy: 1.4489479095903606
Energy: 1.719385599277128
Energy: 1.5473650823643637
Energy: 1.719385599277781
Energy: 1.4447427283124186
Energy: 1.678725416916368
Energy: 1.500860376836348
Energy: 1.678725416916368
Energy: 1.4447427283156835
Energy: 1.678725416915715
Energy: 1.5370060221725332
Energy: 1.6525636242516921
Energy: 1.4471159048630322
Energy: 1.6525636242510393
Energy: 1.5370060221725332
Energy: 1.6525636242503863
Energy: 1.4651595683861678
Energy: 1.6580685188537772
Energy: 1.4502015502463819
Energy: 1.6580685188537772
Energy: 1.4651595683861678
Energy: 1.6580685188537772
Energy: 1.4617256260756863
Energy: 1.6676962723914828
Energy: 1.4864839848772982
Energy: 1.6676962723914828
Energy: 1.4617256260763394
Energy: 1.66769627239083
Energy: 1.5420113249024725
Energy: 1.6721978173113452
Energy: 1.4842206154539128
Energy: 1.6721978173113452
Energy: 1.5420113249018197
Energy: 1.6721978173113452
Energy: 1.4537006952553837
Energy: 1.7241523451969316
Energy: 1.4956360355619243
Energy: 1.7241523451969316
Energy: 1.453700695256037
Energy: 1.7241523451969316
Energy: 1.4608996066686635
Energy: 1.656788751121532
Energy: 1.45076367417287
Energy: 1.656788751120879
Energy: 1.4608996066686635
Energy: 1.656788751120879
Energy: 1.4465241161709625
Energy: 1.6706598167096536
Energy: 1.4982424006984678
Energy: 1.6706598167096536
Energy: 1.4465241161716156
Energy: 1.6706598167096536
Energy: 1.4808152815667095
Energy: 1.6747632288333398
Energy: 1.4562318890015757
Energy: 1.674763228834646
Energy: 1.4808152815667095
Energy: 1.6747632288339926
Energy: 1.4400285644595303
Energy: 1.6703729180676785
Energy: 1.4614963751844479
Energy: 1.6703729180676785
Energy: 1.4400285644595303
Energy: 1.6703729180676785
Energy: 1.4863822385392367
Energy: 1.7393503023779602
Energy: 1.4865155896039688
Energy: 1.7393503023779602
Energy: 1.4863822385398895
Energy: 1.7393503023779602
Energy: 1.4612775342095539
Energy: 1.6702023891522912
Energy: 1.4394395789753494
Energy: 1.6702023891522912
Energy: 1.4612775342095539
Energy: 1.6702023891522912
Energy: 1.4562622682980022
Energy: 1.674781045994346
Energy: 1.4808357305891748
Energy: 1.674781045994999
Energy: 1.4562622682980022
Energy: 1.674781045994999
Energy: 1.4981836578946286
Energy: 1.670184409852299
Energy: 1.444365004474863
Energy: 1.670184409852299
Energy: 1.4981836578939753
Energy: 1.670184409852299
Energy: 1.4505873000908986
Energy: 1.6528938875653476
Energy: 1.4604965569565045
Energy: 1.6528938875653476
Energy: 1.4505873000902458
Energy: 1.6528938875653476
Energy: 1.4955963737179039
Energy: 1.7244100027443168
Energy: 1.4464573212443008
Energy: 1.7244100027443168
Energy: 1.4955963737179039
Energy: 1.7244100027443168
Energy: 1.4838563866704655
Energy: 1.6721882431487036
Energy: 1.545298329970593
Energy: 1.6721882431487036
Energy: 1.4838563866704655
Energy: 1.6721882431487036
Energy: 1.4865941686373108
Energy: 1.6686716412363256
Energy: 1.4614842475474663
Energy: 1.6686716412369786
Energy: 1.4865941686373108
Energy: 1.6686716412369786
Energy: 1.4504553677371885
Energy: 1.6580351047944744
Energy: 1.4651922686192123
Energy: 1.6580351047944744
Energy: 1.4504553677365355
Energy: 1.6580351047944744
Energy: 1.447158581240504
Energy: 1.6530941124957639
Energy: 1.5101842585846277
Energy: 1.6530941124957639
Energy: 1.447158581240504
Energy: 1.653094112496417
Energy: 1.5006636504850022
Energy: 1.679398841445383
Energy: 1.4436231359730989
Energy: 1.679398841445383
Energy: 1.5006636504856552
Energy: 1.679398841445383
Energy: 1.4512363743455405
Energy: 1.719385599276475
Energy: 1.5476255447628522
Energy: 1.719385599276475
Energy: 1.4512363743455405
Energy: 1.719385599277128
Energy: 1.4822886863194775
Energy: 1.6712162156747163
Energy: 1.44218653485347
Energy: 1.6712162156747163
Energy: 1.4822886863194775
Energy: 1.671216215674063
Energy: 1.4439742621384968
Energy: 1.6543900558651277
Energy: 1.5240103302506667
Energy: 1.6543900558651277
Energy: 1.4439742621384968
Energy: 1.6543900558651277
Energy: 1.4888071962248044
Energy: 1.6547157786088582
Energy: 1.4580170234304168
Energy: 1.6547157786088582
Energy: 1.4888071962248044
Energy: 1.6547157786088582
Energy: 1.4837560199609503
Energy: 1.6543383769479512
Energy: 1.4761009496497242
Energy: 1.6543383769486042
Energy: 1.4837560199596445
Energy: 1.6543383769479512
Energy: 1.4850291464147374
Energy: 1.6690580046077472
Energy: 1.4759783038303786
Energy: 1.6690580046077472
Energy: 1.4850291464153906
Energy: 1.6690580046077472
Energy: 1.446986837047444
Energy: 1.6736476273562413
Energy: 1.4962080290843387
Energy: 1.6736476273562413
Energy: 1.446986837047444
Energy: 1.6736476273555883
Energy: 1.4474968785137368
Energy: 1.6420028597605723
Energy: 1.51634108634869
Energy: 1.6420028597599192
Energy: 1.4474968785137368
Energy: 1.6420028597605723
Energy: 1.5646337695031647
Energy: 1.6754686610563065
Energy: 1.5582722089357903
Energy: 1.6754686610563065
Energy: 1.5646337695031647
Energy: 1.6754686610563065
Energy: 1.4474964436112694
Energy: 1.662482819745707
Energy: 1.516080393841282
Energy: 1.6624828197594201
Energy: 1.4474964436112694
Energy: 1.662482819745054
Energy: 1.447000049275227
Energy: 1.6734616055120364
Energy: 1.4959270974371957
Energy: 1.6734616055120364
Energy: 1.447000049275227
Energy: 1.6734616055120364
Energy: 1.4847827556408941
Energy: 1.669217980121571
Energy: 1.4757950874560237
Energy: 1.669217980122224
Energy: 1.4847827556408941
Energy: 1.669217980121571
Energy: 1.4620303621388726
Energy: 1.6551708481626108
Energy: 1.4761036632043505
Energy: 1.6551708481626108
Energy: 1.4620303621395256
Energy: 1.6551708481626108

minimum gb energy = 1.4394395789753494 eV
minimum distance =  2.2366219711974 Angstroms
sigma value = 57


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

Energy: 1.3272656115370836
Energy: 1.5623815913244343
Energy: 1.5878067655200194
Energy: 1.5623815913244343
Energy: 1.3272656115370836
Energy: 1.5623815913244343
Energy: 1.2762637216707233
Energy: 1.5880328162038388
Energy: 1.3029087307188352
Energy: 1.588032816197893
Energy: 1.2762637216707233
Energy: 1.58803281619492
Energy: 1.2769209761790676
Energy: 1.5350938062332216
Energy: 1.3975112508884648
Energy: 1.5350938062332216
Energy: 1.2769209761790676
Energy: 1.5350938062332216
Energy: 1.295714171439766
Energy: 1.5349658122195906
Energy: 1.2859509413622165
Energy: 1.534965812221077
Energy: 1.295714171439766
Energy: 1.5349658122195906
Energy: 1.295722511518577
Energy: 1.5539785050030703
Energy: 1.3029427658352508
Energy: 1.5539785050030703
Energy: 1.2957225115200637
Energy: 1.5539785050030703
Energy: 1.2936988814780566
Energy: 1.5367200673007508
Energy: 1.2650901092492388
Energy: 1.5367200673007508
Energy: 1.2936988814780566
Energy: 1.5367200672977777
Energy: 1.2937113391652675
Energy: 1.5348927532224788
Energy: 1.2652118276595707
Energy: 1.5348927532224788
Energy: 1.2937113391652675
Energy: 1.5348927532209922
Energy: 1.2957585841045158
Energy: 1.5557748757141343
Energy: 1.303017690492597
Energy: 1.5557748757617014
Energy: 1.2957585841060024
Energy: 1.5557748757468366
Energy: 1.2958001330953084
Energy: 1.5346432334997013
Energy: 1.3030037929049207
Energy: 1.5346432334997013
Energy: 1.2958001330953084
Energy: 1.5346432334997013
Energy: 1.2766212698531851
Energy: 1.5350155997657442
Energy: 1.3974401380924995
Energy: 1.5350155997657442
Energy: 1.2766212698531851
Energy: 1.5350155997657442
Energy: 1.2764178987606345
Energy: 1.5880328161964066
Energy: 1.3030523025135348
Energy: 1.588032816200866
Energy: 1.2764178987606345
Energy: 1.5880328161964066
Energy: 1.3272656115355972
Energy: 1.5623815913244343
Energy: 1.3783722487000813
Energy: 1.5623815913244343
Energy: 1.3272656115355972
Energy: 1.5623815913244343
Energy: 1.2762637216707233
Energy: 1.588032816197893
Energy: 1.2706986284156412
Energy: 1.58803281619492
Energy: 1.2762637216707233
Energy: 1.5880328161964066
Energy: 1.2769209761790676
Energy: 1.5350938062332216
Energy: 1.3975112508869783
Energy: 1.5350938062332216
Energy: 1.2769209761790676
Energy: 1.5350938062332216
Energy: 1.295714171439766
Energy: 1.534965812218104
Energy: 1.285950941363703
Energy: 1.5349658122195906
Energy: 1.295714171439766
Energy: 1.534965812218104
Energy: 1.295722511518577
Energy: 1.5539785050030703
Energy: 1.270990550152373
Energy: 1.5539785050030703
Energy: 1.295722511518577
Energy: 1.5539785050030703
Energy: 1.2936988814780566
Energy: 1.5367200673007508
Energy: 1.2650901092492388
Energy: 1.5367200673007508
Energy: 1.2936988814780566
Energy: 1.5367200673037236
Energy: 1.2937113391652675
Energy: 1.5348927532224788
Energy: 1.265211827661057
Energy: 1.5348927532224788
Energy: 1.2937113391652675
Energy: 1.5348927532224788
Energy: 1.2957585841060024
Energy: 1.5557748757839645
Energy: 1.2855904939257898
Energy: 1.5557748757869372
Energy: 1.2957585841060024
Energy: 1.5557748758151801

minimum gb energy = 1.2650901092492388 eV
minimum distance =  2.2464833269344 Angstroms
sigma value = 11


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

Energy: 1.1977216909017425
Energy: 1.5118064245617597
Energy: 1.4506312891120936
Energy: 1.5118064245617597
Energy: 1.1977216909017425
Energy: 1.5118064245628486
Energy: 1.1554004280203778
Energy: 1.4010887704598107
Energy: 1.1482325536296971
Energy: 1.4010887704619885
Energy: 1.1554004279605399
Energy: 1.4010887704630774
Energy: 1.1780756096782679
Energy: 1.3769025217380204
Energy: 1.2840364300754212
Energy: 1.376902521740198
Energy: 1.1780756096782679
Energy: 1.3769025217423758
Energy: 1.165962891557354
Energy: 1.3726491309770892
Energy: 1.1475888221292323
Energy: 1.3726491309770892
Energy: 1.165962891557354
Energy: 1.3726491309770892
Energy: 1.1584102393963343
Energy: 1.511786310316678
Energy: 1.1639197276087843
Energy: 1.511786310316678
Energy: 1.1584102393963343
Energy: 1.5117863103155893
Energy: 1.1663232452474241
Energy: 1.5001131720139727
Energy: 1.147907064961935
Energy: 1.5001131720150616
Energy: 1.166323245246335
Energy: 1.5001131720139727
Energy: 1.1712771116223721
Energy: 1.3756055142931787
Energy: 1.146247219792728
Energy: 1.3756055143095118
Energy: 1.1712771116245497
Energy: 1.3756055143182224
Energy: 1.189046983091399
Energy: 1.5086637419218139
Energy: 1.170526065327266
Energy: 1.5086637419218139
Energy: 1.189046983091399
Energy: 1.5086637419218139
Energy: 1.1942794404945767
Energy: 1.5111013736799934
Energy: 1.2676054911142338
Energy: 1.5111013736810823
Energy: 1.1942794404945767
Energy: 1.5111013736810823
Energy: 1.1664475918645274
Energy: 1.378935956701689
Energy: 1.1479959285163983
Energy: 1.3789359567060444
Energy: 1.1664475918645274
Energy: 1.3789359566984227
Energy: 1.170960226030159
Energy: 1.5030746124722931
Energy: 1.146110161738349
Energy: 1.5030746124722931
Energy: 1.1709602260323366
Energy: 1.5030746124722931
Energy: 1.1530995373748798
Energy: 1.508540247427986
Energy: 1.1487519023908523
Energy: 1.508540247427986
Energy: 1.1530995373759687
Energy: 1.508540247427986
Energy: 1.1611003159264492
Energy: 1.3722163581902482
Energy: 1.1512395421695871
Energy: 1.3722163581902482
Energy: 1.161100315928627
Energy: 1.3722163581902482
Energy: 1.1492767394491097
Energy: 1.3767753377661913
Energy: 1.1613912058687763
Energy: 1.3767753377651024
Energy: 1.149276739445843
Energy: 1.3767753377661913
Energy: 1.1542286101474364
Energy: 1.4032693442329949
Energy: 1.14625782741196
Energy: 1.4032693442329949
Energy: 1.1542286101474364
Energy: 1.4032693442351725
Energy: 1.1640826865595502
Energy: 1.507960676649185
Energy: 1.192450900255278
Energy: 1.507960676649185
Energy: 1.1640826864931788
Energy: 1.507960676649185
Energy: 1.1665986146350495
Energy: 1.3996720578482265
Energy: 1.1510466139255138
Energy: 1.3996720578471376
Energy: 1.1665986146361387
Energy: 1.3996720578493151
Energy: 1.146040716527468
Energy: 1.384520628398019
Energy: 1.1668995052218525
Energy: 1.384520628398019
Energy: 1.1460407165285569
Energy: 1.3845206283991076
Energy: 1.16706026771446
Energy: 1.3723103085460016
Energy: 1.146386785941822
Energy: 1.3723103085449129
Energy: 1.16706026771446
Energy: 1.3723103085460016
Energy: 1.15262342667634
Energy: 1.511884189761685
Energy: 1.1597615832053711
Energy: 1.511884189761685
Energy: 1.15262342667634
Energy: 1.511884189761685
Energy: 1.20197251509272
Energy: 1.4962950648954603
Energy: 1.1517039874232111
Energy: 1.4962950648954603
Energy: 1.2019725150938088
Energy: 1.4962950648954603
Energy: 1.1666525862725725
Energy: 1.384433501862325
Energy: 1.146818647904754
Energy: 1.384433501863414
Energy: 1.1666525862714838
Energy: 1.384433501862325
Energy: 1.1897144772079227
Energy: 1.5046431229609711
Energy: 1.173768946905919
Energy: 1.5046431229609711
Energy: 1.1897144772079227
Energy: 1.5046431229609711
Energy: 1.1521960702512273
Energy: 1.487780051095135
Energy: 1.161266699276881
Energy: 1.487780051095135
Energy: 1.1521960702501386
Energy: 1.487780051095135
Energy: 1.1643714453693446
Energy: 1.375766200747921
Energy: 1.1517075856525174
Energy: 1.37576620074901
Energy: 1.1643714453693446
Energy: 1.3757662007402989
Energy: 1.1662206988829447
Energy: 1.4948956982701462
Energy: 1.1459928585383055
Energy: 1.4948956982701462
Energy: 1.1662206988829447
Energy: 1.4948956982690573

minimum gb energy = 1.1459928585383055 eV
minimum distance =  2.28202530250207 Angstroms
sigma value = 41


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

Energy: 1.5737391043654296
Energy: 1.3947088440620174
Energy: 1.3677017109235432
Energy: 1.3947088440620174
Energy: 1.57373909695553
Energy: 1.3947088440620174
Energy: 1.0441544792576887
Energy: 1.2600193722962776
Energy: 1.0426771139932334
Energy: 1.2600193722962776
Energy: 1.044154477769358
Energy: 1.2600193722962776
Energy: 1.0891787292263453
Energy: 1.3568482219579163
Energy: 1.0677751882260769
Energy: 1.3568482219570581
Energy: 1.089178729225487
Energy: 1.3568482219579163
Energy: 1.0519794045350173
Energy: 1.2286050104647028
Energy: 1.0426717935948575
Energy: 1.2286050104638446
Energy: 1.0519794045350173
Energy: 1.2286050104647028
Energy: 1.0869762513160621
Energy: 1.227440223447932
Energy: 1.0577156685472338
Energy: 1.227440223447932
Energy: 1.0869762513160621
Energy: 1.2274402234487902
Energy: 1.0582949560280215
Energy: 1.3386454488065174
Energy: 1.0429382005260526
Energy: 1.3386454488065174
Energy: 1.0582949560288797
Energy: 1.3386454488065174
Energy: 1.0508431827632279
Energy: 1.3451571217830811
Energy: 1.04223016512834
Energy: 1.3451571217830811
Energy: 1.0508431827632279
Energy: 1.3451571217830811
Energy: 1.1071366113346939
Energy: 1.3447759345952535
Energy: 1.0595902794783703
Energy: 1.3447759345943953
Energy: 1.1071366113338355
Energy: 1.3447759345952535
Energy: 1.0794993865767595
Energy: 1.0419281915841117
Energy: 1.0575881718996165
Energy: 1.0419281971299796
Energy: 1.0794993865767595
Energy: 1.0419281912358342
Energy: 1.0660545921849522
Energy: 1.4167059888204327
Energy: 1.0462490601474894
Energy: 1.4167059888204327
Energy: 1.0660545921823776
Energy: 1.4167059888204327
Energy: 1.1132682905938363
Energy: 1.4170021522113287
Energy: 1.0484265722017576
Energy: 1.4170021522113287
Energy: 1.1132682905929778
Energy: 1.417002152212187
Energy: 1.0579870365103892
Energy: 1.425700277301508
Energy: 1.0589659919252734
Energy: 1.3447053731497591
Energy: 1.0579870365095307
Energy: 1.425700277301508
Energy: 1.079253599230464
Energy: 1.3393288347203147
Energy: 1.1285661865367116
Energy: 1.3393288347203147
Energy: 1.079253599229606
Energy: 1.3393288347203147
Energy: 1.0442061980434878
Energy: 1.3446001079844903
Energy: 1.0432111729107527
Energy: 1.3446001079853485
Energy: 1.0442061980426292
Energy: 1.3446001079844903
Energy: 1.058058161189896
Energy: 1.3389011141623324
Energy: 1.0417718715675874
Energy: 1.3389011141623324
Energy: 1.0580581611890378
Energy: 1.3389011141623324
Energy: 1.0425247051307496
Energy: 1.365083457417209
Energy: 1.0431922555221358
Energy: 1.3452903531204041
Energy: 1.0425247051307496
Energy: 1.365083457417209
Energy: 1.0434375833484755
Energy: 1.3637804205478803
Energy: 1.049615033940225
Energy: 1.3637804205487383
Energy: 1.0434375833484755
Energy: 1.3637804205478803
Energy: 1.0559445759330177
Energy: 1.3447149210445108
Energy: 1.0603091810669443
Energy: 1.3447149210445108
Energy: 1.0559445759330177
Energy: 1.3447149210445108
Energy: 1.0418224943391274
Energy: 1.2608810738562266
Energy: 1.0419018034933911
Energy: 1.2608810738562266
Energy: 1.0418224943494263
Energy: 1.2608810738562266
Energy: 1.0574447721206086
Energy: 1.3650054918714039
Energy: 1.1143756000740233
Energy: 1.344612549112322
Energy: 1.0574447721111684
Energy: 1.3650054918714039
Energy: 1.0470465697827425
Energy: 1.2601970279838934
Energy: 1.049669424236962
Energy: 1.2601970279838934
Energy: 1.0470465697836009
Energy: 1.2601970279838934
Energy: 1.0551705604533506
Energy: 1.344695159975376
Energy: 1.0605102117993002
Energy: 1.344695159975376
Energy: 1.0551705604533506
Energy: 1.344695159975376
Energy: 1.0548998838848749
Energy: 1.2279319935386424
Energy: 1.041786109614881
Energy: 1.2279319935386424
Energy: 1.054899883844539
Energy: 1.2279319935386424
Energy: 1.0417164976072806
Energy: 1.2885332859402716
Energy: 1.0594521586896277
Energy: 1.338917137253299
Energy: 1.0417164976098554
Energy: 1.2885332859402716
Energy: 1.0579068290525495
Energy: 1.3384956066308988
Energy: 1.041147556698651
Energy: 1.3384956066308988
Energy: 1.0579068290525495
Energy: 1.3384956066308988
Energy: 1.0440326828023219
Energy: 1.2883785659595286
Energy: 1.0430811879720094
Energy: 1.2883785659595286
Energy: 1.0440326828023219
Energy: 1.2883785659586706
Energy: 1.1067559226868082
Energy: 1.3445342949415067
Energy: 1.0554529975440399
Energy: 1.3445342949406485
Energy: 1.1067559226876664
Energy: 1.3445342949415067
Energy: 1.0579785340342605
Energy: 1.328424445688261
Energy: 1.078194258980386
Energy: 1.331799211227587
Energy: 1.0579785340334023
Energy: 1.3284244456891194
Energy: 1.058128729930407
Energy: 1.3443940036270412
Energy: 1.0474785828514004
Energy: 1.3443940036270412
Energy: 1.058128729930407
Energy: 1.3443940036270412
Energy: 1.0449879096900525
Energy: 1.3407566803503561
Energy: 1.0568367425354144
Energy: 1.3407566803494977
Energy: 1.0449879096900525
Energy: 1.3407566803494977
Energy: 1.060281036752169
Energy: 1.3444982296289434
Energy: 1.055320573801819
Energy: 1.3444982296289434
Energy: 1.060281036752169
Energy: 1.3444982296289434
Energy: 1.0579531618228586
Energy: 1.4200895828828193
Energy: 1.0444163596543328
Energy: 1.4200895828828193
Energy: 1.0579531618228586
Energy: 1.4200895828828193
Energy: 1.0420450621350166
Energy: 1.3442983331202536
Energy: 1.041586316211192
Energy: 1.3442983331202536
Energy: 1.0420450621350166
Energy: 1.3442983331202536

minimum gb energy = 1.041147556698651 eV
minimum distance =  2.2787312326643 Angstroms
sigma value = 33


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

Energy: 1.357958955231712
Energy: 1.1728613927445377
Energy: 1.2304328113318335
Energy: 1.1728613927451401
Energy: 1.357958955229905
Energy: 1.1728613927445377
Energy: 1.684942862686357
Energy: 1.0600180773821335
Energy: 0.9124847483295422
Energy: 1.0600180773827357
Energy: 1.6849428626881637
Energy: 1.060018077381531
Energy: 1.3331668457256476
Energy: 1.172494327043584
Energy: 1.0715105671622236
Energy: 1.172494327043584
Energy: 1.333166845722636
Energy: 1.172494327043584
Energy: 1.5423636448196174
Energy: 1.0449993937335182
Energy: 0.9124098981360689
Energy: 1.0449993937341204
Energy: 1.5423636448214242
Energy: 1.0449993937335182
Energy: 0.9413999585340181
Energy: 1.185742126744211
Energy: 1.0634323830019874
Energy: 1.1857421267448132
Energy: 0.9413999585340181
Energy: 1.185742126744211
Energy: 1.3957257547380457
Energy: 1.1341168631254557
Energy: 0.9134938792674072
Energy: 1.1341168631260576
Energy: 1.3957257547386481
Energy: 1.1341168631260576
Energy: 0.9304371608231286
Energy: 1.171265290898083
Energy: 0.9152159651433238
Energy: 1.1712652908986854
Energy: 0.9304371608231286
Energy: 1.1712652908986854
Energy: 1.2688073317839
Energy: 1.1340163024170584
Energy: 0.9183811875261554
Energy: 1.1340163024164562
Energy: 1.2688073317839
Energy: 1.1340163024164562
Energy: 0.9111265425276018
Energy: 1.1601456507017276
Energy: 1.1313597383647258
Energy: 1.1601456507011252
Energy: 0.9111265425276018
Energy: 1.1601456507023298
Energy: 1.1461196707706214
Energy: 1.1546467147669386
Energy: 1.2978209898149102
Energy: 1.1546467147675408
Energy: 1.1461196707700192
Energy: 1.1546467147669386
Energy: 0.9151117697573631
Energy: 1.1729196800692534
Energy: 1.153422960522508
Energy: 1.1729196800692534
Energy: 0.9151117697567608
Energy: 1.1729196800680486
Energy: 1.4124639537084756
Energy: 1.2028493254106931
Energy: 1.313417668650397
Energy: 1.202849325410091
Energy: 1.4124639537084756
Energy: 1.2028493254106931
Energy: 1.1481430865578144
Energy: 1.1512915611563184
Energy: 1.343177243825798
Energy: 1.1512915611563184
Energy: 1.1481430865578144
Energy: 1.1512915611563184
Energy: 1.1458547679146946
Energy: 1.2116995508918618
Energy: 1.4191426499045772
Energy: 1.2116995508918618
Energy: 1.1458547679152968
Energy: 1.2116995508918618
Energy: 1.1535940069398631
Energy: 1.1917049755484503
Energy: 1.4196757490059144
Energy: 1.1917049755484503
Energy: 1.1535940069404655
Energy: 1.1917049755484503
Energy: 1.1492925672777294
Energy: 1.1680178870072657
Energy: 1.3140462919285394
Energy: 1.1680178870072657
Energy: 1.149292567281343
Energy: 1.1680178870072657
Energy: 1.1454877789630993
Energy: 1.2068180527911299
Energy: 1.3423248023593142
Energy: 1.2068180527917323
Energy: 1.1454877789630993
Energy: 1.2068180527917323
Energy: 0.9077531641204898
Energy: 1.1681262112392439
Energy: 1.2981313588997352
Energy: 1.168126211239846
Energy: 0.9077531641204898
Energy: 1.1681262112392439
Energy: 1.1436016830739204
Energy: 1.1506772548188802
Energy: 1.1419387705146464
Energy: 1.1506772548194821
Energy: 1.1436016830715656
Energy: 1.1506772548194821
Energy: 0.9070886751328365
Energy: 1.1680378158618416
Energy: 0.9170978943149457
Energy: 1.168037815862444
Energy: 0.9070886751328365
Energy: 1.168037815862444
Energy: 1.1373998257025058
Energy: 1.1501757409161595
Energy: 1.133513133210591
Energy: 1.1501757409161595
Energy: 1.1373998257019033
Energy: 1.1501757409161595
Energy: 0.9225393685661956
Energy: 1.1679858522707476
Energy: 0.9131893420444851
Energy: 1.1679858522707476
Energy: 0.9225393685661956
Energy: 1.1679858522707476
Energy: 1.4042205784901045
Energy: 1.1611825665470987
Energy: 0.9112109273850165
Energy: 1.161182566548303
Energy: 1.4042205784901045
Energy: 1.161182566547701
Energy: 0.935845329429638
Energy: 1.1678535412305489
Energy: 0.9120807744103617
Energy: 1.1678535412299467
Energy: 0.935845329429638
Energy: 1.1678535412305489
Energy: 1.4115866530687213
Energy: 1.17665050900824
Energy: 1.1210949745690268
Energy: 1.1766505090076376
Energy: 1.411586653068119
Energy: 1.17665050900824
Energy: 1.3131064187903858
Energy: 1.1681848943810664
Energy: 0.9214005399511562
Energy: 1.1681848943810664
Energy: 1.3131064187933974
Energy: 1.1681848943816686
Energy: 1.4013977978779615
Energy: 1.0999008243270836
Energy: 0.9115219539209402
Energy: 1.0999008243258788
Energy: 1.4013985686828283
Energy: 1.0999008243264814
Energy: 1.3306056532204127
Energy: 1.1683058305390475
Energy: 1.2267041134479673
Energy: 1.1683058305390475
Energy: 1.3306056532222197
Energy: 1.1683058305390475
Energy: 1.546493266134104
Energy: 1.1629747510004729
Energy: 1.0229378894252343
Energy: 1.1629747510004729
Energy: 1.5464932661322968
Energy: 1.1629747510010755
Energy: 1.3083900315722188
Energy: 1.1681916798170817
Energy: 1.1652816775271946
Energy: 1.1681916798170817
Energy: 1.3083900315740256
Energy: 1.1681916798176841
Energy: 1.5394917487930253
Energy: 1.047256415571115
Energy: 0.9075645402557986
Energy: 1.0472564155705126
Energy: 1.539491748796037
Energy: 1.047256415571115
Energy: 0.9353661570361994
Energy: 1.154493342745892
Energy: 1.143236542642433
Energy: 1.154493342745892
Energy: 0.9353661570361994
Energy: 1.154493342745892
Energy: 1.2723043696517842
Energy: 1.134122315766304
Energy: 0.906858469136046
Energy: 1.134122315766304
Energy: 1.2723043696529888
Energy: 1.1341223157669063
Energy: 0.9220665720759766
Energy: 1.134306719109088
Energy: 1.2778210652377595
Energy: 1.134306719109088
Energy: 0.9220665720759766
Energy: 1.1343067191084861
Energy: 1.2778935526699775
Energy: 1.134142733178141
Energy: 0.9223299547040446
Energy: 1.1341427331787433
Energy: 1.2778935526699775
Energy: 1.134142733178141
Energy: 0.9066156287869888
Energy: 1.134352086379028
Energy: 1.2698485713664824
Energy: 1.134352086379028
Energy: 0.9066156287869888
Energy: 1.134352086379028
Energy: 1.1429654059226952
Energy: 1.154936673084447
Energy: 0.935267811692353
Energy: 1.154936673084447
Energy: 1.142965405922093
Energy: 1.1549366730838448
Energy: 0.9079067926688988
Energy: 1.0465601595987721
Energy: 1.5395459171322536
Energy: 1.0465601595987721
Energy: 0.9079067926688988
Energy: 1.0465601595987721
Energy: 1.1652816775290014
Energy: 1.168188661059885
Energy: 1.3081905843113308
Energy: 1.1681886610604872
Energy: 1.1652816775296038
Energy: 1.168188661059885
Energy: 1.1494914192913823
Energy: 1.1626510850136476
Energy: 1.5466002554788525
Energy: 1.1626510850130451
Energy: 1.1494914192913823
Energy: 1.1626510850130451
Energy: 1.2272139854377835
Energy: 1.1680323387399552
Energy: 1.3305032258506264
Energy: 1.1680323387399552
Energy: 1.227213985438386
Energy: 1.1680323387399552
Energy: 0.9114031932571549
Energy: 1.0950640337818582
Energy: 1.690675014743241
Energy: 1.0950640338450448
Energy: 0.9114031932571549
Energy: 1.095064033677715
Energy: 0.9213605615031605
Energy: 1.1682006420843996
Energy: 1.3246763971883555
Energy: 1.1682006420850022
Energy: 0.9213605615025581
Energy: 1.1682006420843996
Energy: 1.2168896680564398
Energy: 1.1752764073681157
Energy: 1.4015176394855904
Energy: 1.1752764073675133
Energy: 1.2168896680564398
Energy: 1.1752764073675133
Energy: 0.9122825748975456
Energy: 1.1681334211330534
Energy: 0.9359236387269998
Energy: 1.1681334211330534
Energy: 0.9122825748975456
Energy: 1.1681334211330534
Energy: 0.911256752519384
Energy: 1.1611825665470987
Energy: 1.4041711993486152
Energy: 1.1611825665470987
Energy: 0.9112567525187817
Energy: 1.1611825665470987
Energy: 0.9128305151365913
Energy: 1.1683519431933922
Energy: 0.9222826291806002
Energy: 1.1683519431933922
Energy: 0.912830515135989
Energy: 1.1683519431933922

minimum gb energy = 0.9066156287869888 eV
minimum distance =  2.28848361019405 Angstroms
sigma value = 67


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

Energy: 0.34345422851084745
Energy: 0.26042220047926284
Energy: 1.01791702894297
Energy: 0.26042220047926284
Energy: 0.34345422851084745
Energy: 0.26042220047926284
Energy: 0.245849523011351
Energy: 0.7072524668485681
Energy: 0.5855414336174262
Energy: 0.7072524668482021
Energy: 0.245849523011351
Energy: 0.7072524668485681
Energy: 0.34345422851084745
Energy: 0.2604222004788512
Energy: 1.5260895000013193
Energy: 0.26042220047926284
Energy: 0.34345422851084745
Energy: 0.26042220047926284
Energy: 0.245849523011351
Energy: 0.7072524668485681
Energy: 0.5855414336190502
Energy: 0.7072524668485681
Energy: 0.245849523011351
Energy: 0.7072524668485681
Energy: 0.34345422851084745
Energy: 0.26042220047926284
Energy: 1.9727866943383532
Energy: 0.26042220047926284
Energy: 0.34345422851084745
Energy: 0.2604222004788512
Energy: 0.245849523011351
Energy: 0.7072524668489798
Energy: 0.5855414336146131
Energy: 0.7072524668485681
Energy: 0.245849523011351
Energy: 0.7072524668485681
Energy: 0.34345422851084745
Energy: 0.26042220047926284
Energy: 1.9727866856687337
Energy: 0.26042220047926284
Energy: 0.34345422851084745
Energy: 0.2604222004788512

minimum gb energy = 0.245849523011351 eV
minimum distance =  2.4246539523999 Angstroms
sigma value = 3


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

Energy: 1.6506737800065103
Energy: 1.2300702139855089
Energy: 1.1655867440445904
Energy: 1.2300702139855089
Energy: 1.6506737799999371
Energy: 1.2300702139855089
Energy: 2.134472313465684
Energy: 0.9340539812547392
Energy: 0.8878005970895568
Energy: 0.9340539812547392
Energy: 2.1344723134651353
Energy: 0.934053981255287
Energy: 1.425440029819959
Energy: 1.2104699448631995
Energy: 1.149001585758418
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Energy: 1.7641472885654952
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Energy: 0.8975309923581172
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Energy: 0.9115856911038797
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Energy: 0.9081857863817574
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Energy: 1.238925831329799
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Energy: 1.5659249877415182
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Energy: 0.8748871470164452
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Energy: 1.5854828159693977
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Energy: 1.6196691451476064
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Energy: 1.9303837142424507
Energy: 1.187309065733232
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Energy: 1.2267430667366617
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Energy: 1.5896850017236797
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Energy: 1.1547593363402655
Energy: 0.8898495180507411
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Energy: 1.5860575211740173
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Energy: 0.8712923289912147
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Energy: 1.2384426242482194
Energy: 1.184544059068218
Energy: 1.566269774959431
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Energy: 0.9109813768413196
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Energy: 1.5662697749588828
Energy: 1.1783863352421404
Energy: 1.2207458689506951
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Energy: 1.196735031721988
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Energy: 1.2207458689506951
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Energy: 0.9153673183699698
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Energy: 1.2205759001089442
Energy: 1.154729051647222
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Energy: 1.1780844147908953
Energy: 1.1929380854563303
Energy: 1.1780844147914433
Energy: 0.915567140381108
Energy: 1.1780844147908953
Energy: 1.2143148137039779
Energy: 1.178671328490327
Energy: 1.2302933516244903
Energy: 1.178671328490327
Energy: 1.2143148137039779
Energy: 1.178671328490327
Energy: 0.9108354926118145
Energy: 1.1362391802945782
Energy: 1.5383498755964058
Energy: 1.136239180295126
Energy: 0.9108354926112667
Energy: 1.1362391802967693
Energy: 0.9138240827921059
Energy: 1.17938321041911
Energy: 1.245860901183092
Energy: 1.1793832104218487
Energy: 0.9138240827915582
Energy: 1.179383210421301
Energy: 0.891186930041467
Energy: 1.1592889022475061
Energy: 1.546768827780149
Energy: 1.1592889022480537
Energy: 0.8911869300420148
Energy: 1.1592889022475061
Energy: 0.9209093594114618
Energy: 1.1960345889312218
Energy: 1.580229033153871
Energy: 1.1960345889312218
Energy: 0.9209093594114618
Energy: 1.1960345889312218
Energy: 0.8923144964779082
Energy: 1.1338177045631928
Energy: 1.741960740711005
Energy: 1.1338177029862775
Energy: 0.8923144964790036
Energy: 1.1338177038513748
Energy: 0.8969472979650783
Energy: 1.2143015434494955
Energy: 1.6102313149811247
Energy: 1.2143015434489477
Energy: 0.8969472979650783
Energy: 1.2143015434489477
Energy: 0.8908598222216918
Energy: 1.0422787002599379
Energy: 1.7594885638288138
Energy: 1.0422787002599379
Energy: 0.8908598222211441
Energy: 1.04227870025939
Energy: 0.8819637581890732
Energy: 1.195137022790288
Energy: 1.5808078950048017
Energy: 1.195137022790288
Energy: 0.881963758189621
Energy: 1.195137022790288
Energy: 0.8927037120640597
Energy: 0.91595658639222
Energy: 1.7279841066491988
Energy: 0.91595658639222
Energy: 0.892703712063512
Energy: 0.91595658639222
Energy: 0.8674519823174349
Energy: 1.1793637672475001
Energy: 1.2448789587599138
Energy: 1.1793637672475001
Energy: 0.8674519823174349
Energy: 1.179363767248048
Energy: 0.9138715431951088
Energy: 1.1347518731746904
Energy: 1.2014442850522988
Energy: 1.1347518731779773
Energy: 0.9138715431962043
Energy: 1.134751873168665
Energy: 1.1900692662840868
Energy: 1.1740965219561526
Energy: 1.2309804901799546
Energy: 1.174096521955605
Energy: 1.1900692662846344
Energy: 1.174096521955605

minimum gb energy = 0.8674519823174349 eV
minimum distance =  2.273668275305 Angstroms
sigma value = 81


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

Energy: 1.7068441390533038
Energy: 1.4534467757024148
Energy: 1.5255606656079983
Energy: 1.4534467757024148
Energy: 1.7068441390533038
Energy: 1.4534467757024148
Energy: 1.9569950766469717
Energy: 1.0655861430586497
Energy: 1.0028188760117742
Energy: 1.065586143057898
Energy: 1.9569950766462199
Energy: 1.0655861430586497
Energy: 1.6589962559618507
Energy: 1.3866856840903845
Energy: 1.2346357845315492
Energy: 1.3866856840896327
Energy: 1.6589962559610987
Energy: 1.3866856840903845
Energy: 1.5711581276480833
Energy: 1.1225678034643336
Energy: 1.0180022338395212
Energy: 1.122567803463582
Energy: 1.5711581276480833
Energy: 1.1225678034643336
Energy: 1.1955208841634892
Energy: 1.3421958062812245
Energy: 0.9847678997853617
Energy: 1.3421958062812245
Energy: 1.1955208841672482
Energy: 1.3421958062819763
Energy: 1.3353234314313747
Energy: 1.3470332348760228
Energy: 1.1429494891526697
Energy: 1.3470332348760228
Energy: 1.3353234314321265
Energy: 1.347033234875271
Energy: 1.1412631505636381
Energy: 1.3344375368637118
Energy: 1.0986628033398471
Energy: 1.334437536897544
Energy: 1.1412631505643898
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Energy: 1.0206518269271865
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Energy: 1.128529813439701
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Energy: 1.0080745864746574
Energy: 1.2822022848776307
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Energy: 1.0080745864746574
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Energy: 0.993905932697489
Energy: 1.3820375371620037
Energy: 1.5297159837753653
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Energy: 0.993905932697489
Energy: 1.3820375371620037
Energy: 1.0310763229521347
Energy: 1.280549708097675
Energy: 1.7160778231183462
Energy: 1.280549708097675
Energy: 1.0310763229521347
Energy: 1.2805497080969235
Energy: 1.1477403337747811
Energy: 1.3741806344656275
Energy: 1.6095257459674266
Energy: 1.3741806344648757
Energy: 1.1477403337755332
Energy: 1.3741806344656275
Energy: 1.1478592844684863
Energy: 1.293041832362919
Energy: 1.5971350714969916
Energy: 1.293041832362919
Energy: 1.1478592844684863
Energy: 1.293041832362919
Energy: 1.144794490273306
Energy: 1.3663331237363419
Energy: 1.1685822805058417
Energy: 1.3663331237363419
Energy: 1.144794490274058
Energy: 1.3663331237363419
Energy: 1.1441683178073676
Energy: 1.3428397570139416
Energy: 1.5714977672815738
Energy: 1.3428397570139416
Energy: 1.1441683178073676
Energy: 1.3428397570139416
Energy: 1.5839472204140856
Energy: 1.3520970153177592
Energy: 1.1431438230398725
Energy: 1.3520970153177592
Energy: 1.5839472204140856
Energy: 1.3520970153177592
Energy: 1.583877062151363
Energy: 1.3563919840463816
Energy: 1.0975230849431414
Energy: 1.3563919840463816
Energy: 1.583877062151363
Energy: 1.3563919840471335
Energy: 1.6136393437947907
Energy: 1.3552849433822625
Energy: 1.0184926824136529
Energy: 1.3552849433815106
Energy: 1.6136393437947907
Energy: 1.3552849433822625
Energy: 1.612805310295553
Energy: 1.3668051052294905
Energy: 1.3523784893102273
Energy: 1.3668051052294905
Energy: 1.612805310295553
Energy: 1.3668051052302423
Energy: 1.6021303485389848
Energy: 1.2820445561202287
Energy: 1.0202266355819705
Energy: 1.2820445561202287
Energy: 1.6021303485412404
Energy: 1.2820445561202287
Energy: 1.6156046238154018
Energy: 1.3427174300941511
Energy: 1.0085723831451758
Energy: 1.3427174300941511
Energy: 1.6156046238154018
Energy: 1.3427174300941511
Energy: 1.612788810787924
Energy: 1.3654751446732982
Energy: 1.2474521079679854
Energy: 1.3654751446732982
Energy: 1.612788810787924
Energy: 1.3654751446732982
Energy: 1.6091230933247795
Energy: 1.360352080537348
Energy: 1.0079542805200927
Energy: 1.360352080537348
Energy: 1.6091230933247795
Energy: 1.360352080537348
Energy: 1.5807237971679007
Energy: 1.3662372085384114
Energy: 1.0970848202495216
Energy: 1.3662372085384114
Energy: 1.580723797167149
Energy: 1.3662372085384114
Energy: 1.3640323025308867
Energy: 1.341905488913526
Energy: 1.1432781734669062
Energy: 1.341905488913526
Energy: 1.3640323025301349
Energy: 1.3419054889142776
Energy: 1.1439152044539442
Energy: 1.3427521106274523
Energy: 1.327841228987108
Energy: 1.3427521106274523
Energy: 1.1439152044531924
Energy: 1.3427521106274523
Energy: 1.1451471198837675
Energy: 1.3552759141678035
Energy: 1.1688593344722082
Energy: 1.3552759141678035
Energy: 1.1451471198837675
Energy: 1.3552759141678035
Energy: 1.147521512851856
Energy: 1.293041832362919
Energy: 1.5744983320606594
Energy: 1.293041832362919
Energy: 1.147521512851856
Energy: 1.293041832362919
Energy: 1.14782234554662
Energy: 1.3706664575377858
Energy: 1.6133103533625477
Energy: 1.3706664575377858
Energy: 1.14782234554662
Energy: 1.3706664575377858
Energy: 1.0324721711238583
Energy: 1.3459431400912891
Energy: 1.717943189707848
Energy: 1.3459431400912891
Energy: 1.0324721711238583
Energy: 1.3459431400912891
Energy: 1.0206483829832238
Energy: 1.382002115815893
Energy: 1.5296801473076078
Energy: 1.382002115815893
Energy: 1.020648382982472
Energy: 1.382002115815893
Energy: 1.0364877603389608
Energy: 1.0973094215523318
Energy: 1.7162531224370459
Energy: 1.0973094215515802
Energy: 1.0364877603389608
Energy: 1.0973094215523318
Energy: 1.128529813439701
Energy: 1.3707421476398673
Energy: 1.6118445218960578
Energy: 1.3707421476398673
Energy: 1.128529813439701
Energy: 1.3707421476398673
Energy: 1.0355832872294064
Energy: 1.1676682877314535
Energy: 1.3722303299571674
Energy: 1.167668287732205
Energy: 1.0355832872294064
Energy: 1.1676682877314535
Energy: 1.0979440649789742
Energy: 1.3423700342534886
Energy: 1.1688376888568726
Energy: 1.3423700342527365
Energy: 1.0979440649789742
Energy: 1.3423700342534886
Energy: 1.1732506520480501
Energy: 1.3482884529780172
Energy: 1.0989012325303649
Energy: 1.3482884529780172
Energy: 1.1732506520488017
Energy: 1.3482884529780172

minimum gb energy = 0.9847678997853617 eV
minimum distance =  2.26947518168948 Angstroms
sigma value = 43


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

Energy: 1.7471261150092865
Energy: 1.575430458920086
Energy: 1.0580056661993453
Energy: 1.575430458920086
Energy: 1.7471261150055926
Energy: 1.575430458920086
Energy: 1.9666243305568538
Energy: 1.2002820964846013
Energy: 1.0849107391470938
Energy: 1.2002820964846013
Energy: 1.9666243305568538
Energy: 1.2002820964846013
Energy: 1.1580186397439267
Energy: 1.4466366527715628
Energy: 1.0578439841859058
Energy: 1.44663665277341
Energy: 1.1580186397439267
Energy: 1.4466366527724863
Energy: 1.3473352471890383
Energy: 1.1261400957875238
Energy: 1.084649116882773
Energy: 1.1261400957884473
Energy: 1.3473352471890383
Energy: 1.1261400957875238
Energy: 1.1103680457933585
Energy: 1.4555684550773698
Energy: 1.0537401811213365
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Energy: 1.110368045794282
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Energy: 1.0572666489651312
Energy: 1.4812757737516176
Energy: 1.1106062162098658
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Energy: 1.0572666489651312
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Energy: 1.112453172027021
Energy: 1.2627112133860414
Energy: 1.3634547604224523
Energy: 1.2627112133694187
Energy: 1.1124531720279442
Energy: 1.2627112134469491
Energy: 1.119350361945044
Energy: 1.469860033840112
Energy: 1.153593885770141
Energy: 1.469860033840112
Energy: 1.119350361945044
Energy: 1.469860033840112
Energy: 1.093322980476873
Energy: 1.2773673180232479
Energy: 1.6656638078205472
Energy: 1.2773673180343086
Energy: 1.0933229804777962
Energy: 1.2773673180259972
Energy: 1.093860761664855
Energy: 1.4906770882877096
Energy: 1.6944287201895887
Energy: 1.4906770882877096
Energy: 1.093860761664855
Energy: 1.4906770882877096
Energy: 1.1129947777039326
Energy: 1.503739815579216
Energy: 1.3539755607944914
Energy: 1.5037398155801396
Energy: 1.1129947777039326
Energy: 1.503739815579216
Energy: 1.1257845668085902
Energy: 1.4697393367256255
Energy: 1.154504622994743
Energy: 1.4697393367256255
Energy: 1.1257845668076667
Energy: 1.4697393367256255
Energy: 1.125619473880778
Energy: 1.0606247757737521
Energy: 1.3480620609938163
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Energy: 1.1256194738817018
Energy: 1.0606247757737521
Energy: 1.1094087175224676
Energy: 1.4908280988436777
Energy: 1.110926988555282
Energy: 1.4908280988436777
Energy: 1.109408717521544
Energy: 1.4908280988436777
Energy: 1.1096192563020535
Energy: 1.4773285689550506
Energy: 1.0578977013915183
Energy: 1.4773285689550506
Energy: 1.1096192563020535
Energy: 1.4773285689550506
Energy: 1.6509138344354657
Energy: 1.2853110833187351
Energy: 1.085471777147231
Energy: 1.2853110833187351
Energy: 1.6509138344354657
Energy: 1.2853110833187351
Energy: 1.6491433205068797
Energy: 1.4649626157321223
Energy: 1.3789226530768617
Energy: 1.4649626157321223
Energy: 1.6491433205068797
Energy: 1.4649626157321223
Energy: 1.6978205861240923
Energy: 1.491300778105172
Energy: 1.093695413266082
Energy: 1.491300778105172
Energy: 1.6978205861240923
Energy: 1.491300778105172
Energy: 1.6944164375800326
Energy: 1.4909570032970354
Energy: 1.093838832032157
Energy: 1.4909570032970354
Energy: 1.6944164375791089
Energy: 1.4909570032970354
Energy: 1.6491596307049643
Energy: 1.500611555146403
Energy: 1.0848474511510648
Energy: 1.500611555146403
Energy: 1.6491596307040408
Energy: 1.500611555146403
Energy: 1.6549348680644995
Energy: 1.507547983776064
Energy: 1.0854914459372285
Energy: 1.507547983776064
Energy: 1.6549348680644995
Energy: 1.507547983776064
Energy: 1.0911732637771576
Energy: 1.4763588588171233
Energy: 1.0594669980556073
Energy: 1.4763588588171233
Energy: 1.0911732637780813
Energy: 1.4763588588171233
Energy: 1.112674916289268
Energy: 1.4902278451855135
Energy: 1.110133702489159
Energy: 1.4902278451864372
Energy: 1.112674916289268
Energy: 1.4902278451855135
Energy: 1.0577745767554372
Energy: 1.4742952611861253
Energy: 1.0593099715365424
Energy: 1.4742952611852016
Energy: 1.0577745767554372
Energy: 1.4742952611852016
Energy: 1.128325923103158
Energy: 1.5077810085398444
Energy: 1.1540277254908542
Energy: 1.507781008540768
Energy: 1.128325923103158
Energy: 1.507781008540768
Energy: 1.0849727112149583
Energy: 1.5036864943313548
Energy: 1.3539211825786739
Energy: 1.5036864943313548
Energy: 1.0849727112149583
Energy: 1.5036864943304311
Energy: 1.0936774447681998
Energy: 1.490503809646747
Energy: 1.6949405325690299
Energy: 1.490503809646747
Energy: 1.0936774447681998
Energy: 1.490503809646747
Energy: 1.0937921238761992
Energy: 1.4906769887834102
Energy: 1.4082356536515919
Energy: 1.4906769887834102
Energy: 1.0937921238761992
Energy: 1.4906769887834102
Energy: 1.122272887483048
Energy: 1.4699806730974239
Energy: 1.153392461763585
Energy: 1.4699806730974239
Energy: 1.122272887483048
Energy: 1.4699806730974239
Energy: 1.0843598597434287
Energy: 1.2623199421211593
Energy: 1.3632320191521694
Energy: 1.2623199630480988
Energy: 1.0843598597443522
Energy: 1.2623199319821565
Energy: 1.0544015618211284
Energy: 1.4812335360810294
Energy: 1.1096053223000435
Energy: 1.4812335360810294
Energy: 1.0544015618202047
Energy: 1.4812335360819526

minimum gb energy = 1.0537401811213365 eV
minimum distance =  2.25570888539074 Angstroms
sigma value = 57


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

Energy: 1.3021193776330398
Energy: 1.6470141590688527
Energy: 1.3763529742277203
Energy: 1.6470141590688527
Energy: 1.3021193776318443
Energy: 1.6470141590688527
Energy: 1.5777684555524667
Energy: 1.2522477195599409
Energy: 1.1993739394828464
Energy: 1.2522477195599409
Energy: 1.5777684555536622
Energy: 1.2522477195599409
Energy: 1.2476218818350724
Energy: 1.6505168891673643
Energy: 1.4600485590884582
Energy: 1.6505168891673643
Energy: 1.2476218818350724
Energy: 1.65051688916856
Energy: 1.162884334985327
Energy: 1.2377644079005476
Energy: 1.1995193230307388
Energy: 1.2377644079005476
Energy: 1.162884334985327
Energy: 1.2377644079005476
Energy: 1.226655962614253
Energy: 1.2397634929248726
Energy: 1.3814781753821062
Energy: 1.2397634929248726
Energy: 1.2266559626130573
Energy: 1.2397634929248726
Energy: 1.1641360138510388
Energy: 1.6591357438635934
Energy: 1.2261784526219792
Energy: 1.6591357438635934
Energy: 1.1641360138486476
Energy: 1.6591357438635934
Energy: 1.2017759239192505
Energy: 1.4292619822471138
Energy: 1.578619014185452
Energy: 1.4292619822471138
Energy: 1.2017759239192505
Energy: 1.4292619822483095
Energy: 1.2036473153235878
Energy: 1.6679502687666639
Energy: 1.3010336290128237
Energy: 1.6679502687666639
Energy: 1.2036473153235878
Energy: 1.6679502687666639
Energy: 1.2266728595657828
Energy: 1.2479701784766246
Energy: 1.5755373378177948
Energy: 1.24797017847782
Energy: 1.2266728595657828
Energy: 1.2479701784766246
Energy: 1.1668237140435371
Energy: 1.65917227600253
Energy: 1.226391207825369
Energy: 1.65917227600253
Energy: 1.1668237140435371
Energy: 1.65917227600253
Energy: 1.2381836724652067
Energy: 1.1641848994852837
Energy: 1.1627812869878165
Energy: 1.1641848994852837
Energy: 1.2381836724652067
Energy: 1.1641848994852837
Energy: 1.1721685895174798
Energy: 1.435042411571
Energy: 1.2005827018836916
Energy: 1.435042411572196
Energy: 1.1721685895174798
Energy: 1.435042411572196
Energy: 1.2271421184440667
Energy: 1.6752087151442228
Energy: 1.2421470019407832
Energy: 1.6752087151442228
Energy: 1.2271421184440667
Energy: 1.6752087151442228
Energy: 1.5778439138019886
Energy: 1.4292284339474364
Energy: 1.2030803064713527
Energy: 1.4292284339486319
Energy: 1.5778439138031843
Energy: 1.4292284339486319
Energy: 1.168063023009069
Energy: 1.6690613579479876
Energy: 1.205670804506339
Energy: 1.6690613579479876
Energy: 1.168063023009069
Energy: 1.6690613579479876
Energy: 1.17243877058658
Energy: 1.673110740950059
Energy: 1.200351601406883
Energy: 1.673110740950059
Energy: 1.17243877058658
Energy: 1.673110740950059
Energy: 1.2272183851618843
Energy: 1.6689030639309197
Energy: 1.2368159899227624
Energy: 1.6689030639321154
Energy: 1.2272183851618843
Energy: 1.6689030639309197
Energy: 1.1653536155961208
Energy: 1.4883278919890146
Energy: 1.1657778120586435
Energy: 1.4883278919878187
Energy: 1.1653536155961208
Energy: 1.4883278919878187
Energy: 1.2368025002900023
Energy: 1.6688835221874212
Energy: 1.2272785724344057
Energy: 1.6688835221874212
Energy: 1.2368025002900023
Energy: 1.6688835221874212
Energy: 1.2003677474774488
Energy: 1.6729218402755797
Energy: 1.1724484043378054
Energy: 1.6729218402755797
Energy: 1.2003677474774488
Energy: 1.6729218402755797
Energy: 1.2055057005929948
Energy: 1.6692316765923723
Energy: 1.168078043729853
Energy: 1.6692316765923723
Energy: 1.2055057005929948
Energy: 1.6692316765923723
Energy: 1.2031542077356703
Energy: 1.4510986427227344
Energy: 1.5781920484326928
Energy: 1.4510986427203432
Energy: 1.2031542077356703
Energy: 1.4510986427215389
Energy: 1.2247596882111682
Energy: 1.675426295037911
Energy: 1.2271809727183962
Energy: 1.675426295037911
Energy: 1.2247596882111682
Energy: 1.675426295037911
Energy: 1.2009360263941489
Energy: 1.4348778263463775
Energy: 1.1725174485093284
Energy: 1.4348778263463775
Energy: 1.2009360263941489
Energy: 1.4348778263463775

minimum gb energy = 1.1627812869878165 eV
minimum distance =  2.25579636880096 Angstroms
sigma value = 17


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

Energy: 1.4001529418557042
Energy: 1.3977385150622976
Energy: 1.8209872718725808
Energy: 1.3977385150622976
Energy: 1.4001529418557042
Energy: 1.3977385150622976
Energy: 1.3225333480781147
Energy: 1.3252072812997662
Energy: 1.3540612695387704
Energy: 1.3252072812997662
Energy: 1.322533348079806
Energy: 1.3252072812997662
Energy: 1.4125767421284763
Energy: 1.4007790161293463
Energy: 1.6451661090299512
Energy: 1.4007790161293463
Energy: 1.4125767421284763
Energy: 1.4007790161293463
Energy: 1.3151631666797305
Energy: 1.3114325712350765
Energy: 1.3965075402054365
Energy: 1.3114325712350765
Energy: 1.3151631666797305
Energy: 1.3114325712350765
Energy: 1.385704830311496
Energy: 1.3257250844095714
Energy: 1.3081517803721736
Energy: 1.3257250844078805
Energy: 1.385704830311496
Energy: 1.3257250844095714
Energy: 1.3192117373223284
Energy: 1.3952098986465438
Energy: 1.395729641634966
Energy: 1.3952098986465438
Energy: 1.3192117373206373
Energy: 1.3952098986465438
Energy: 1.3609506588199962
Energy: 1.474487782438524
Energy: 1.3242878781932772
Energy: 1.474487782438524
Energy: 1.3609506588199962
Energy: 1.474487782438524
Energy: 1.3090254675973216
Energy: 1.6633194545333125
Energy: 1.3111405851505458
Energy: 1.6633194545316214
Energy: 1.3090254675973216
Energy: 1.6633194545316214
Energy: 1.3860698428302074
Energy: 1.3092649320585314
Energy: 1.4310270532515468
Energy: 1.3092649320585314
Energy: 1.3860698428302074
Energy: 1.3092649320585314
Energy: 1.3568972256202272
Energy: 1.338178694082041
Energy: 1.3536167551256328
Energy: 1.338178694082041
Energy: 1.3568972256202272
Energy: 1.338178694082041
Energy: 1.396550342869041
Energy: 1.8880165542377216
Energy: 1.3491395018994252
Energy: 1.8880165542377216
Energy: 1.396550342869041
Energy: 1.8880165542377216
Energy: 1.3087033820732972
Energy: 1.6270908601171545
Energy: 1.3514831945233494
Energy: 1.6270908601171545
Energy: 1.3087033820732972
Energy: 1.6270908601171545
Energy: 1.386774642224931
Energy: 1.663256895873103
Energy: 1.3096881287929467
Energy: 1.663256895873103
Energy: 1.386774642224931
Energy: 1.663256895873103
Energy: 1.3181281916186567
Energy: 1.3093801803366085
Energy: 1.3085725235390508
Energy: 1.3093801803366085
Energy: 1.3181281916186567
Energy: 1.3093801803366085
Energy: 1.3563773819683886
Energy: 1.6272418513189264
Energy: 1.3561392173037068
Energy: 1.6272418513189264
Energy: 1.3563773819666975
Energy: 1.6272418513189264
Energy: 1.351888156726741
Energy: 1.8854565544331319
Energy: 1.3800151670988337
Energy: 1.8854565544331319
Energy: 1.351888156726741
Energy: 1.8854565544331319
Energy: 1.3215882156112329
Energy: 1.3104681232218698
Energy: 1.3091237439831755
Energy: 1.3104681232218698
Energy: 1.3215882156112329
Energy: 1.3104681232218698

minimum gb energy = 1.3081517803721736 eV
minimum distance =  2.28296611522581 Angstroms
sigma value = 17


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

Energy: 2.000385113368633
Energy: 1.957865036360219
Energy: 1.9399279176598436
Energy: 1.957865036360219
Energy: 2.00038511336798
Energy: 1.957865036360219
Energy: 1.6805125618252756
Energy: 1.381437747959812
Energy: 1.4118502462640958
Energy: 1.381437747959159
Energy: 1.6805125618259285
Energy: 1.381437747959812
Energy: 1.3915672782762103
Energy: 1.46827948672584
Energy: 1.4574803276045907
Energy: 1.4682794867264932
Energy: 1.3915672782762103
Energy: 1.4682794867264932
Energy: 1.467081322183644
Energy: 1.7348912538872936
Energy: 1.5099050306847006
Energy: 1.7348912539023127
Energy: 1.467081322184297
Energy: 1.7348912538729278
Energy: 1.403288695778743
Energy: 1.4514044072169885
Energy: 1.7012529257469964
Energy: 1.4514044072163352
Energy: 1.403288695778743
Energy: 1.4514044072163352
Energy: 1.4503358685444296
Energy: 1.7474497455413702
Energy: 1.5355434845728277
Energy: 1.747449745542023
Energy: 1.4503358685444296
Energy: 1.747449745542676
Energy: 1.3621800897127656
Energy: 1.4465598932065267
Energy: 1.6709077934670025
Energy: 1.4465598932071797
Energy: 1.3621800897127656
Energy: 1.4465598932065267
Energy: 1.7498478319447148
Energy: 1.5530462490363965
Energy: 1.4001797684022352
Energy: 1.5530462490598749
Energy: 1.7498478319447148
Energy: 1.5530462489423942
Energy: 1.5303542997156947
Energy: 1.7369463604207065
Energy: 1.3878812206366256
Energy: 1.7369463604207065
Energy: 1.5303542997156947
Energy: 1.7369463604207065
Energy: 1.8211025733286348
Energy: 1.427072253954421
Energy: 1.3777586918334008
Energy: 1.420856943468153
Energy: 1.8211025733286348
Energy: 1.4314032995090005
Energy: 1.5024214744618298
Energy: 1.8307835604087617
Energy: 1.4382102151753167
Energy: 1.8307835604081086
Energy: 1.5024214744618298
Energy: 1.8307835604087617
Energy: 1.380375711175987
Energy: 1.7292980590783722
Energy: 1.3884080268813523
Energy: 1.7292980590783722
Energy: 1.3803757111766402
Energy: 1.7292980590783722
Energy: 1.406332839154536
Energy: 1.5625545038165973
Energy: 1.9501509388420128
Energy: 1.5625545038296575
Energy: 1.4063328391551888
Energy: 1.5625545038094144
Energy: 1.376912773741969
Energy: 1.934064401361016
Energy: 1.9535383153774333
Energy: 1.934064401361016
Energy: 1.376912773741969
Energy: 1.934064401361016
Energy: 1.380415467093573
Energy: 1.8161334483337321
Energy: 1.437468766421411
Energy: 1.8161334483337321
Energy: 1.380415467093573
Energy: 1.8161334483343854
Energy: 1.4508924082749382
Energy: 1.90715957697748
Energy: 1.3893784473560196
Energy: 1.90715957697748
Energy: 1.4508924082749382
Energy: 1.9181996288866774
Energy: 1.4527250086014214
Energy: 1.721157826015859
Energy: 1.3992761438984354
Energy: 1.721157826015859
Energy: 1.4527250086014214
Energy: 1.721157826015859
Energy: 1.9168374877060124
Energy: 1.7848640088492278
Energy: 1.3912949002282071
Energy: 1.7848640088492278
Energy: 1.9168374877060124
Energy: 1.7848640088505336
Energy: 1.7000269041074734
Energy: 1.9344333838197907
Energy: 1.3691555382185956
Energy: 1.9344333838197907
Energy: 1.7000269041074734
Energy: 1.9344333838197907
Energy: 1.3679341322197687
Energy: 1.7892545373151825
Energy: 1.3679385940411393
Energy: 1.700827891889408
Energy: 1.3679341322197687
Energy: 1.8682041686506201
Energy: 1.3691888651039268
Energy: 1.934530872405852
Energy: 1.9208791272029553
Energy: 1.934530872405852
Energy: 1.3691888651039268
Energy: 1.934530872405852
Energy: 1.391375978195131
Energy: 1.785057112295264
Energy: 1.9167698000489635
Energy: 1.785057112295264
Energy: 1.391375978195131
Energy: 1.785057112295264
Energy: 1.3805088593136823
Energy: 1.7209000536627026
Energy: 1.4527636121111929
Energy: 1.7209000536620498
Energy: 1.380508859313029
Energy: 1.7209000536620498
Energy: 1.3894061243981572
Energy: 1.9097537166841976
Energy: 1.4508978200696563
Energy: 1.9097537166848506
Energy: 1.389406124397504
Energy: 1.9102802611641538
Energy: 1.4374638142067893
Energy: 1.8161280002020166
Energy: 1.379227006992943
Energy: 1.8161280002020166
Energy: 1.4374638142067893
Energy: 1.8161280002020166
Energy: 1.952891453603407
Energy: 1.9340441102394503
Energy: 1.376935003525036
Energy: 1.9340441102394503
Energy: 1.952891453602754
Energy: 1.9340441102394503
Energy: 1.9501810808164257
Energy: 1.562572071159462
Energy: 1.406436995494422
Energy: 1.562572071160115
Energy: 1.9501810808164257
Energy: 1.562572071159462
Energy: 1.3886571988299257
Energy: 1.729279606657178
Energy: 1.380390517115378
Energy: 1.7292796066578309
Energy: 1.3886571988299257
Energy: 1.729279606657178
Energy: 1.4382088392142238
Energy: 1.8313284811737423
Energy: 1.5024272995934933
Energy: 1.831328481173089
Energy: 1.4382088392142238
Energy: 1.8313284811737423
Energy: 1.3780394428920617
Energy: 1.562070487642936
Energy: 1.8210625713190718
Energy: 1.5620704876422833
Energy: 1.378039442892715
Energy: 1.5620704876422833
Energy: 1.3878163806269121
Energy: 1.7368568055399554
Energy: 1.530396534856157
Energy: 1.7368568055406084
Energy: 1.3878163806269121
Energy: 1.7368568055406084
Energy: 1.4003439311626757
Energy: 1.5554702866591774
Energy: 1.7488229477666963
Energy: 1.555470286557369
Energy: 1.4003439311626757
Energy: 1.5554702858733223
Energy: 1.6708924647939285
Energy: 1.4466248479659123
Energy: 1.361781971122271
Energy: 1.4466248479665653
Energy: 1.6708924647939285
Energy: 1.4466248479652595
Energy: 1.5355061534280374
Energy: 1.7473196820170798
Energy: 1.4500946799292895
Energy: 1.7473196820170798
Energy: 1.5355061534280374
Energy: 1.7473196820170798
Energy: 1.6811915926709013
Energy: 1.4514044072156822
Energy: 1.4034958620952516
Energy: 1.4514044072163352
Energy: 1.6811915926709013
Energy: 1.4514044072163352
Energy: 1.5101828960685013
Energy: 1.7349627436837245
Energy: 1.4667327886925123
Energy: 1.7349627436830712
Energy: 1.5101828960691543
Energy: 1.7349627436830712
Energy: 1.4576056149697068
Energy: 1.468689188657318
Energy: 1.3914790466019558
Energy: 1.468689188657318
Energy: 1.4576056149697068
Energy: 1.468689188657971
Energy: 1.4118322602229212
Energy: 1.3808521882247584
Energy: 1.6808590595473258
Energy: 1.3808521882247584
Energy: 1.4118322602235742
Energy: 1.3808521882234521
Energy: 1.4791856460596173
Energy: 1.9578650363608723
Energy: 2.0003851133705917
Energy: 1.9578650363608723
Energy: 1.4791858006010412
Energy: 1.9578650363608723
Energy: 1.4118502462640958
Energy: 1.381437747959812
Energy: 1.6805125618259285
Energy: 1.381437747959812
Energy: 1.4118502462640958
Energy: 1.381437747959812
Energy: 1.4574803276058965
Energy: 1.46827948672584
Energy: 1.3915672782762103
Energy: 1.4682794867264932
Energy: 1.4574803276058965
Energy: 1.4682794867251872
Energy: 1.5099050306847006
Energy: 1.7348912538983947
Energy: 1.467081322183644
Energy: 1.7348912538905588
Energy: 1.5099050306853536
Energy: 1.7348912539055776
Energy: 1.7012529257483022
Energy: 1.4514044072169885
Energy: 1.403288695778743
Energy: 1.4514044072163352
Energy: 1.7012529257483022
Energy: 1.4514044072176413

minimum gb energy = 1.361781971122271 eV
minimum distance =  2.26081531083961 Angstroms
sigma value = 57


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

Energy: 1.57561411894691
Energy: 1.872171010843887
Energy: 2.264729770627335
Energy: 1.872171010843887
Energy: 1.57561411894691
Energy: 1.872171010843887
Energy: 1.4560224429648903
Energy: 1.4153557860184258
Energy: 1.4185419254490186
Energy: 1.4153557860194887
Energy: 1.4560224429659536
Energy: 1.4153557860194887
Energy: 1.3791930816499658
Energy: 1.5477977675559689
Energy: 1.4331389882632928
Energy: 1.5477977675485264
Energy: 1.3791930816510292
Energy: 1.54779776744863
Energy: 1.566862806981554
Energy: 1.486603125536647
Energy: 1.5454227237435278
Energy: 1.486603125536647
Energy: 1.566862806981554
Energy: 1.4866031255377101
Energy: 1.3820145140489764
Energy: 1.439354682962954
Energy: 1.498980840838221
Energy: 1.4393546829640171
Energy: 1.382014514047913
Energy: 1.439354682962954
Energy: 1.493390324209402
Energy: 1.4839278785433592
Energy: 1.5461004976759243
Energy: 1.4839278785444225
Energy: 1.493390324209402
Energy: 1.483927878542296
Energy: 1.3818400428672375
Energy: 1.4867532208359056
Energy: 1.3767471434406966
Energy: 1.4867532208359056
Energy: 1.3818400428683009
Energy: 1.4867532208348424
Energy: 1.8289583792162771
Energy: 1.429234167692323
Energy: 1.418377269471114
Energy: 1.4292341676912597
Energy: 1.8289583792141506
Energy: 1.4292341676965759
Energy: 1.5724872151386347
Energy: 1.9060267709034626
Energy: 1.38208822564043
Energy: 1.9060267709034626
Energy: 1.5724872151386347
Energy: 1.9060267709034626
Energy: 1.4281945746504914
Energy: 1.378510746692457
Energy: 1.3840055938733926
Energy: 1.378510746692457
Energy: 1.4281945746515545
Energy: 1.378510746692457
Energy: 1.3823831706266987
Energy: 1.642335192781408
Energy: 1.4864198038082406
Energy: 1.6423351927803451
Energy: 1.3823831706256355
Energy: 1.642335192784598
Energy: 1.426784347862268
Energy: 1.4808398590394318
Energy: 1.4867832528142058
Energy: 1.4808398590383687
Energy: 1.4267843478612046
Energy: 1.4808398590383687
Energy: 1.3748131458471897
Energy: 1.6774688135849745
Energy: 1.4858773146488196
Energy: 1.6774688135849745
Energy: 1.374813145848253
Energy: 1.677468813587101
Energy: 1.4874183707409214
Energy: 1.7029523420173605
Energy: 1.4860328473717528
Energy: 1.7029523420184236
Energy: 1.4874183707409214
Energy: 1.7029523420184236
Energy: 1.3848192474742433
Energy: 1.4883112290367304
Energy: 1.373903861168357
Energy: 1.4883112290356673
Energy: 1.3848192474742433
Energy: 1.48831122903992
Energy: 1.8331768237642028
Energy: 1.7208719545923747
Energy: 1.3894622404358268
Energy: 1.7208719545923747
Energy: 1.8331768237259745
Energy: 1.7208719545913114
Energy: 1.5275915987940314
Energy: 1.9040219028623107
Energy: 1.3778587753976665
Energy: 1.9040219028623107
Energy: 1.5275915987940314
Energy: 1.9040219028623107
Energy: 1.4874714960766753
Energy: 1.7353254553560935
Energy: 1.3779091923701186
Energy: 1.7353254553550301
Energy: 1.4874714960766753
Energy: 1.7353254553560935
Energy: 1.3851827889197608
Energy: 1.6566848593033114
Energy: 1.480392657722346
Energy: 1.6566848592788572
Energy: 1.3851827889197608
Energy: 1.656684859718845
Energy: 1.5032512626271417
Energy: 1.9073928027187432
Energy: 1.4808036029710039
Energy: 1.90739280271768
Energy: 1.5032512626271417
Energy: 1.9073928027198066
Energy: 1.379098533834981
Energy: 1.8510395316549242
Energy: 1.4801962924104115
Energy: 1.851039531653861
Energy: 1.379098533834981
Energy: 1.851039531653861
Energy: 1.383821210137019
Energy: 1.9062157015864953
Energy: 1.4803136508873915
Energy: 1.9062157015875585
Energy: 1.383821210137019
Energy: 1.9062157015875585
Energy: 1.375779189612165
Energy: 1.6910401412787905
Energy: 1.3769476038607718
Energy: 1.6910401412777272
Energy: 1.375779189612165
Energy: 1.6910401412787905
Energy: 1.5255032577647665
Energy: 1.9051779185728366
Energy: 1.3855482133813715
Energy: 1.9051779185728366
Energy: 1.5255032577647665
Energy: 1.9051779185717732
Energy: 1.5253701732352882
Energy: 1.876575595942278
Energy: 1.387824116626355
Energy: 1.876575595942278
Energy: 1.5253701732352882
Energy: 1.876575595942278
Energy: 1.3839057286886964
Energy: 1.4884613308196244
Energy: 1.3783988674890855
Energy: 1.488461330814308
Energy: 1.3839057286886964
Energy: 1.4884613308281303
Energy: 1.3766904901478163
Energy: 1.9092714680264218
Energy: 1.482996938427375
Energy: 1.9092714680264218
Energy: 1.3766904901478163
Energy: 1.9092714680264218

minimum gb energy = 1.373903861168357 eV
minimum distance =  2.25803986639071 Angstroms
sigma value = 43


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

Energy: 1.6400767488154475
Energy: 1.836935245657464
Energy: 1.6653965855088455
Energy: 1.836935245657464
Energy: 1.6400767488154475
Energy: 1.836935245657464
Energy: 1.4806270098638457
Energy: 1.4540783583412096
Energy: 1.4668462833062061
Energy: 1.4540783583404349
Energy: 1.4806270098638457
Energy: 1.4540783583412096
Energy: 1.471058860749364
Energy: 1.5892355500240787
Energy: 1.5860487094594335
Energy: 1.5892355500248532
Energy: 1.471058860749364
Energy: 1.5892355500248532
Energy: 1.6148328649136898
Energy: 1.8129245113357457
Energy: 1.5947355042869231
Energy: 1.8129245113365202
Energy: 1.6148328649136898
Energy: 1.8129245113357457
Energy: 1.4765511149519777
Energy: 1.5033517841244732
Energy: 1.5141956227638131
Energy: 1.5033517841244732
Energy: 1.4765511149519777
Energy: 1.5033517841236985
Energy: 1.5283346035908856
Energy: 1.575343430561004
Energy: 1.49224663967917
Energy: 1.575343430561004
Energy: 1.5283346035908856
Energy: 1.575343430561004
Energy: 1.4918065782027587
Energy: 1.5544977185140365
Energy: 1.4719191692708387
Energy: 1.5544977185140365
Energy: 1.4918065782027587
Energy: 1.554497718514811
Energy: 1.5441086611919392
Energy: 1.505213190782897
Energy: 1.4764774839210069
Energy: 1.5052131907821225
Energy: 1.544108661192714
Energy: 1.5052131907805728
Energy: 1.5899998474112402
Energy: 1.812391679168065
Energy: 1.5412232702129645
Energy: 1.8123916791688393
Energy: 1.5899998474112402
Energy: 1.8123916791688393
Energy: 1.6482953563697385
Energy: 1.5678318824552484
Energy: 1.4513375719980561
Energy: 1.567831882454474
Energy: 1.6482953563705132
Energy: 1.567831882454474
Energy: 1.4510391021779672
Energy: 1.5104419846661572
Energy: 1.9334032180804646
Energy: 1.510441984666932
Energy: 1.4510391021771922
Energy: 1.510441984666932
Energy: 1.4516322874283436
Energy: 1.870593397294857
Energy: 1.6411480487515628
Energy: 1.8705933972933426
Energy: 1.4516322874283436
Energy: 1.8705933972933426
Energy: 1.4577213536114269
Energy: 1.4533394335676704
Energy: 1.5414138233439636
Energy: 1.4533394335676704
Energy: 1.4577213536106521
Energy: 1.4533394335668957
Energy: 1.5544293074922804
Energy: 1.651326712432488
Energy: 1.4519730634302472
Energy: 1.6513267124317133
Energy: 1.5544293074922804
Energy: 1.651326712432488
Energy: 1.5590822263633042
Energy: 1.842706559613082
Energy: 1.466498972054028
Energy: 1.8427065596138568
Energy: 1.5590822263625297
Energy: 1.8427065596138568
Energy: 1.5284641958669134
Energy: 1.7036152114383258
Energy: 1.4420546800421183
Energy: 1.7036152114383258
Energy: 1.5284641958684626
Energy: 1.7036152114383258
Energy: 1.479258783901236
Energy: 1.688994189219275
Energy: 1.5318725333600647
Energy: 1.6889941892185005
Energy: 1.479258783901236
Energy: 1.6889941892177258
Energy: 1.4654888437930433
Energy: 1.5540672993383844
Energy: 1.4779724058341375
Energy: 1.5540672993383844
Energy: 1.4654888437930433
Energy: 1.5540672993376097
Energy: 1.4531326958836484
Energy: 1.6255643731317393
Energy: 1.56075587711271
Energy: 1.625564373132514
Energy: 1.4531326958836484
Energy: 1.625564373133289
Energy: 1.4441398954286233
Energy: 1.8913528463622953
Energy: 1.5585802383702174
Energy: 1.8913528463622953
Energy: 1.4441398954286233
Energy: 1.8913528463622953
Energy: 1.4410545560542423
Energy: 1.568155731273035
Energy: 1.4553681070082451
Energy: 1.5681557312722605
Energy: 1.4410545560542423
Energy: 1.568155731273035
Energy: 2.1297642009144475
Energy: 1.668697818128151
Energy: 1.452082477444012
Energy: 1.6686978181289256
Energy: 2.1297642009144475
Energy: 1.668697818128151
Energy: 1.866026864026905
Energy: 1.8832077551128117
Energy: 1.4524230998062604
Energy: 1.8832077551128117
Energy: 1.8660268640276798
Energy: 1.8832077551128117
Energy: 1.4434843039940586
Energy: 1.746723994424223
Energy: 1.4511009860761337
Energy: 1.746723994424223
Energy: 1.4434843039932839
Energy: 1.746723994424223
Energy: 1.4413570538306668
Energy: 1.7155872015806712
Energy: 1.556059690614932
Energy: 1.7155872015806712
Energy: 1.4413570538306668
Energy: 1.7155872015806712
Energy: 1.454417552262849
Energy: 1.842891714246862
Energy: 1.5556484490978546
Energy: 1.8428917142476366
Energy: 1.454417552262849
Energy: 1.842891714246862
Energy: 1.4422084666511668
Energy: 1.8528225881139198
Energy: 1.5287689586487674
Energy: 1.8528225881139198
Energy: 1.442208466650392
Energy: 1.8528225881139198
Energy: 1.5288896020777143
Energy: 1.8823678746084485
Energy: 1.528850776395738
Energy: 1.882367874607674
Energy: 1.5288896020777143
Energy: 1.8823678746084485
Energy: 1.5287865756860928
Energy: 1.8527839534585815
Energy: 1.4741479138295215
Energy: 1.8527839534585815
Energy: 1.5287865756860928
Energy: 1.8527839534593562
Energy: 1.5556385411824851
Energy: 1.8432556562186033
Energy: 1.4544387269961943
Energy: 1.8432556562186033
Energy: 1.5556385411832598
Energy: 1.8432556562186033
Energy: 1.5561756270993061
Energy: 1.7156336056811379
Energy: 1.4413442568569321
Energy: 1.7156336056819126
Energy: 1.5561756270985316
Energy: 1.7156336056811379
Energy: 1.4510680678770067
Energy: 1.7469389832021327
Energy: 1.4434878854599311
Energy: 1.7469389832021327
Energy: 1.4510680678770067
Energy: 1.7469389832021327
Energy: 1.4523903494857415
Energy: 1.8832878504624735
Energy: 2.1316466940495977
Energy: 1.8832878504624735
Energy: 1.4523903494857415
Energy: 1.8832878504624735
Energy: 1.4520999426702457
Energy: 1.6691204081224635
Energy: 2.129917099615532
Energy: 1.6691204081294353
Energy: 1.4520999426702457
Energy: 1.6691204081255622
Energy: 1.455782535296111
Energy: 1.5674800893650414
Energy: 1.4411052755178522
Energy: 1.5674800893650414
Energy: 1.455782535296111
Energy: 1.5674800893650414
Energy: 1.5570415151640014
Energy: 1.891287995561878
Energy: 1.444126820016492
Energy: 1.8912879955626527
Energy: 1.557041515164776
Energy: 1.8912879955626527

minimum gb energy = 1.4410545560542423 eV
minimum distance =  2.25334345838164 Angstroms
sigma value = 81


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

Energy: 1.51879862360888
Energy: 1.4987742761319918
Energy: 2.6171515448973883
Energy: 1.4987742761319918
Energy: 1.51879862360888
Energy: 1.4987742761319918
Energy: 1.494910898510793
Energy: 1.498359177820246
Energy: 1.5187868957365969
Energy: 1.4983591778205372
Energy: 1.4949108985099522
Energy: 1.498359177819955
Energy: 1.5187710385843958
Energy: 1.4983930204364413
Energy: 1.4792150381778921
Energy: 1.4983930204361504
Energy: 1.5187710385843958
Energy: 1.4983930204361504
Energy: 1.8206632597926136
Energy: 1.4987742761319918
Energy: 1.51879862360888
Energy: 1.4987742761319918
Energy: 1.8206632597920636
Energy: 1.4987742761319918
Energy: 1.518786895736888
Energy: 1.4983591778205372
Energy: 1.4949108986103836
Energy: 1.498359177820246
Energy: 1.518786895736888
Energy: 1.498359177820246
Energy: 1.5072872395029424
Energy: 1.4983930204364413
Energy: 1.5187710385843958
Energy: 1.4983930204361504
Energy: 1.507287239505498
Energy: 1.4983930204364413
Energy: 1.51879862360888
Energy: 1.4987742761319918
Energy: 1.694753599876459
Energy: 1.4987742761319918
Energy: 1.51879862360888
Energy: 1.4987742761319918
Energy: 1.494910898687785
Energy: 1.498359177820246
Energy: 1.5187868957365969
Energy: 1.498359177820246
Energy: 1.4949108987019843
Energy: 1.498359177820246
Energy: 1.5187710385843958
Energy: 1.4983930204364413
Energy: 1.5072872395165922
Energy: 1.4983930204364413
Energy: 1.5187710385843958
Energy: 1.4983930204364413
Energy: 1.6947535998767498
Energy: 1.4987742761319918
Energy: 1.5187986236085889
Energy: 1.4987742761319918
Energy: 1.6947535998781407
Energy: 1.4987742761319918

minimum gb energy = 1.4792150381778921 eV
minimum distance =  2.29743888808895 Angstroms
sigma value = 3


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

Energy: 1.9265710492465018
Energy: 1.9603405114904011
Energy: 1.6725522963014032
Energy: 1.9603405114904011
Energy: 1.9265710492473533
Energy: 1.9603405114904011
Energy: 1.7017541519733648
Energy: 1.4928466917812195
Energy: 1.463016982977259
Energy: 1.4928466917812195
Energy: 1.701754151972513
Energy: 1.4928466917812195
Energy: 1.4895937607313976
Energy: 1.4631528420661126
Energy: 1.6219527724833889
Energy: 1.4631528420661126
Energy: 1.4895937607313976
Energy: 1.4631528420661126
Energy: 1.4694971029248876
Energy: 1.9370056325469922
Energy: 1.5224517631451222
Energy: 1.937005632547844
Energy: 1.4694971029231838
Energy: 1.937005632547844
Energy: 1.4646361338597516
Energy: 1.4786820541809116
Energy: 1.4549033479536828
Energy: 1.4786820541809116
Energy: 1.464636133861455
Energy: 1.4786820541809116
Energy: 1.492433157411424
Energy: 1.5287609881597435
Energy: 1.4596551202852284
Energy: 1.5287609881597435
Energy: 1.492433157411424
Energy: 1.5287609881597435
Energy: 1.4649709717717458
Energy: 1.482351728950454
Energy: 1.4796078974922335
Energy: 1.482351728950454
Energy: 1.4649709717717458
Energy: 1.482351728950454
Energy: 1.4648742267232024
Energy: 1.8657183706287803
Energy: 1.5072282512162953
Energy: 1.8657183706287803
Energy: 1.4648742267232024
Energy: 1.8657183706287803
Energy: 1.4735281331473682
Energy: 1.4629577998657972
Energy: 1.6698987948453967
Energy: 1.462957799866649
Energy: 1.4735281331473682
Energy: 1.4629577998657972
Energy: 1.4698841724013976
Energy: 1.4927746070506038
Energy: 1.4591775738206851
Energy: 1.4927746070506038
Energy: 1.4698841724005458
Energy: 1.4927746070506038
Energy: 1.9075706656120806
Energy: 1.6430075323387605
Energy: 1.4780393006116912
Energy: 1.6430075323387605
Energy: 1.9075706656120806
Energy: 1.6430075323387605
Energy: 1.7012154136402846
Energy: 1.6451643355856618
Energy: 1.4560065966003413
Energy: 1.6451643355856618
Energy: 1.7012154136232487
Energy: 1.6451643355865135
Energy: 1.4770330330965078
Energy: 1.5619258108641287
Energy: 1.456501027979046
Energy: 1.5619258108649803
Energy: 1.4770330330965078
Energy: 1.5619258108649803
Energy: 1.4700656502584413
Energy: 1.8610539676425708
Energy: 1.5054463849642254
Energy: 1.8610539676425708
Energy: 1.4700656502584413
Energy: 1.8610539676425708
Energy: 1.4646924525089913
Energy: 1.509848585882442
Energy: 1.5047118860948554
Energy: 1.509848585882442
Energy: 1.4646924525089913
Energy: 1.509848585882442
Energy: 1.4653904215129625
Energy: 1.649394246896375
Energy: 1.4579050838974201
Energy: 1.649394246896375
Energy: 1.4653904215129625
Energy: 1.649394246896375
Energy: 1.4647145847954537
Energy: 1.6530709707898055
Energy: 1.4587482629761204
Energy: 1.653070970790657
Energy: 1.464714584794602
Energy: 1.6530709707898055
Energy: 1.4654177816584664
Energy: 1.5582201376835434
Energy: 1.5048427458707687
Energy: 1.5582201376835434
Energy: 1.4654177816584664
Energy: 1.5582201376835434
Energy: 1.470463485269079
Energy: 1.7462825495564864
Energy: 1.5042394597451274
Energy: 1.7462825495573382
Energy: 1.470463485269079
Energy: 1.7462825495573382
Energy: 1.4710059350612277
Energy: 1.4929542320804023
Energy: 1.4570241000285178
Energy: 1.4929542320804023
Energy: 1.4710059350612277
Energy: 1.4929542320804023
Energy: 1.7015792272577335
Energy: 1.512853359646485
Energy: 1.4569531197054273
Energy: 1.512853359646485
Energy: 1.701579227258585
Energy: 1.512853359646485
Energy: 1.9055275216572618
Energy: 1.5162609570200547
Energy: 1.4782192867104007
Energy: 1.5162609570200547
Energy: 1.9055275216572618
Energy: 1.5162609570200547
Energy: 1.470535262724088
Energy: 1.4928662469375034
Energy: 1.4592472329146444
Energy: 1.4928662469375034
Energy: 1.470535262724088
Energy: 1.4928662469375034
Energy: 1.4711333156524595
Energy: 1.463228824566838
Energy: 1.6703662575766514
Energy: 1.463228824566838
Energy: 1.4711333156524595
Energy: 1.463228824566838
Energy: 1.4651736893649214
Energy: 1.6880174931151564
Energy: 1.5055041812963885
Energy: 1.6880174931151564
Energy: 1.4651736893649214
Energy: 1.6880174931151564
Energy: 1.4768777175323753
Energy: 1.8801299785138876
Energy: 1.5399673386412194
Energy: 1.8801299785138876
Energy: 1.4768777175332268
Energy: 1.8801299785147394
Energy: 1.4647732092872476
Energy: 1.4966968743755198
Energy: 1.4588252936483517
Energy: 1.4966968743755198
Energy: 1.4647732092872476
Energy: 1.4966968743755198
Energy: 1.4764838955530803
Energy: 1.4785807559897468
Energy: 1.4551180090386444
Energy: 1.4785807559905988
Energy: 1.4764838955539323
Energy: 1.4785807559940056
Energy: 1.5488523866504722
Energy: 1.862473487022162
Energy: 1.5050448046075322
Energy: 1.862473487022162
Energy: 1.5488523866504722
Energy: 1.86247348702131
Energy: 1.4812467110615168
Energy: 1.4640383564524335
Energy: 1.4551070733337201
Energy: 1.4640383564524335
Energy: 1.4812467110623684
Energy: 1.4640383564524335
Energy: 1.905426166074134
Energy: 1.4928089348390448
Energy: 1.4603133849842773
Energy: 1.4928089348390448
Energy: 1.905426166074134
Energy: 1.4928089348390448
Energy: 1.9065641829363027
Energy: 1.9598532082432347
Energy: 1.4784450573874037
Energy: 1.9598532082440863
Energy: 1.9065641829345992
Energy: 1.9598532082432347
Energy: 1.701146431973849
Energy: 1.4962557442792586
Energy: 1.4624008839923484
Energy: 1.4962557442784068
Energy: 1.7011464319721454
Energy: 1.4962557442784068

minimum gb energy = 1.4549033479536828 eV
minimum distance =  2.26328624741614 Angstroms
sigma value = 67


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

Energy: 1.4805217576404757
Energy: 2.035616759144593
Energy: 1.8623533339030305
Energy: 2.0356167591458068
Energy: 1.4805217576416894
Energy: 2.035616759144593
Energy: 1.7758074943123756
Energy: 1.405521343158838
Energy: 1.4094216505760166
Energy: 1.4055213431600517
Energy: 1.7758074943123756
Energy: 1.405521343158838
Energy: 1.4033293319530966
Energy: 1.481917524445805
Energy: 1.3946674973034627
Energy: 1.481917524444591
Energy: 1.4033293319530966
Energy: 1.481917524445805
Energy: 1.778464473146911
Energy: 2.043561275116302
Energy: 1.4215742924474515
Energy: 2.0435612751223706
Energy: 1.778464473146911
Energy: 2.043561275124798
Energy: 1.402031261655824
Energy: 2.0430621536047857
Energy: 1.8126440612180283
Energy: 2.043062153603572
Energy: 1.402031261655824
Energy: 2.043062153603572
Energy: 1.3946699411479067
Energy: 1.409405668842765
Energy: 1.40157121010119
Energy: 1.409405668842765
Energy: 1.3946699411479067
Energy: 1.409405668842765
Energy: 1.403515390586236
Energy: 1.4057866333227036
Energy: 1.397160125424619
Energy: 1.4057866333227036
Energy: 1.403515390586236
Energy: 1.4057866333227036
Energy: 1.397406735686308
Energy: 1.9210645406239983
Energy: 1.9523775381338697
Energy: 1.9210645406239983
Energy: 1.397406735686308
Energy: 1.9210645406239983
Energy: 1.396973532648756
Energy: 1.4233353314744428
Energy: 1.8705474408336589
Energy: 1.4233353314744428
Energy: 1.396973532648756
Energy: 1.4233353314744428
Energy: 1.3971284709245462
Energy: 1.4064825268477195
Energy: 1.397644900286535
Energy: 1.4064825268465055
Energy: 1.3971284709257596
Energy: 1.4064825268465055
Energy: 1.3953557081893375
Energy: 1.7455456837711163
Energy: 1.4046224761049946
Energy: 1.7455456837711163
Energy: 1.3953557081881238
Energy: 1.7455456837711163
Energy: 1.395357818751533
Energy: 1.4403976318580267
Energy: 1.3953408751174992
Energy: 1.4403976318580267
Energy: 1.395357818751533
Energy: 1.4403976318592402
Energy: 1.4033459442572707
Energy: 1.7455157842544788
Energy: 1.3951915290970534
Energy: 1.7455157842532654
Energy: 1.4033459442572707
Energy: 1.7455157842532654
Energy: 1.3974829648126494
Energy: 1.4064210306752838
Energy: 1.3971489805634214
Energy: 1.4064210306752838
Energy: 1.3974829648126494
Energy: 1.4064210306752838
Energy: 1.870271926050621
Energy: 1.4233035809120438
Energy: 1.396941543767271
Energy: 1.4233035809120438
Energy: 1.870271926051835
Energy: 1.4233035809120438
Energy: 1.9520710730484176
Energy: 1.921075441020361
Energy: 1.3973199784062416
Energy: 1.921075441020361
Energy: 1.9520710730484176
Energy: 1.921075441020361
Energy: 1.3972458394938907
Energy: 1.4057648516225636
Energy: 1.4079345078953536
Energy: 1.4057648516225636
Energy: 1.3972458394938907
Energy: 1.4057648516225636
Energy: 1.401804302176537
Energy: 1.4090323712150428
Energy: 1.394577598191423
Energy: 1.4090323712587358
Energy: 1.401804302176537
Energy: 1.4090323711992647
Energy: 1.812637688775506
Energy: 2.042987454053164
Energy: 1.4024832653309638
Energy: 2.042987454054378
Energy: 1.812637688775506
Energy: 2.042987454054378
Energy: 1.4214210351806376
Energy: 2.0432828403238776
Energy: 1.7784230145124553
Energy: 2.043282840346938
Energy: 1.4214210351806376
Energy: 2.0432828403080996
Energy: 1.394753401598731
Energy: 1.481917524445805
Energy: 1.407174138110717
Energy: 1.481917524444591
Energy: 1.3947534015975174
Energy: 1.481917524444591
Energy: 1.409472812540248
Energy: 1.4058132377691799
Energy: 1.7761014554425751
Energy: 1.4058132377703936
Energy: 1.409472812540248
Energy: 1.4058132377691799
Energy: 1.6275985286941532
Energy: 2.0356167591458068
Energy: 1.4805217576416894
Energy: 2.0356167591458068
Energy: 1.6275985286953667
Energy: 2.035616759144593

minimum gb energy = 1.394577598191423 eV
minimum distance =  2.25087780508261 Angstroms
sigma value = 33


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

Energy: 1.7268434813847509
Energy: 2.1054121111798265
Energy: 1.8694977974598466
Energy: 2.1054121111821367
Energy: 1.7268434813847509
Energy: 2.105412111178287
Energy: 1.8172082500089906
Energy: 1.694616854702448
Energy: 1.3013717526701303
Energy: 1.6946168547032179
Energy: 1.8172082500082205
Energy: 1.6946168547032179
Energy: 1.317837049184137
Energy: 1.381664909381063
Energy: 1.7382818342595434
Energy: 1.3816649093802928
Energy: 1.317837049184137
Energy: 1.381664909381063
Energy: 1.3639862571729078
Energy: 1.6790112259471452
Energy: 1.352803751891253
Energy: 1.6790112259471452
Energy: 1.3639862571729078
Energy: 1.6790112259471452
Energy: 1.65800337526406
Energy: 1.8625886097918198
Energy: 1.6357221653261445
Energy: 1.8625886097918198
Energy: 1.65800337526406
Energy: 1.8625886097925894
Energy: 1.4926541861270342
Energy: 1.3328738030530805
Energy: 1.3182197663413278
Energy: 1.3328738030530805
Energy: 1.492654186170151
Energy: 1.3328738030530805
Energy: 1.3174606564160074
Energy: 1.332678489522093
Energy: 1.3123646375842992
Energy: 1.332678489521323
Energy: 1.3174606564160074
Energy: 1.332678489521323
Energy: 1.3136465586709603
Energy: 1.7380917297133918
Energy: 1.6536756893668527
Energy: 1.7380917297133918
Energy: 1.3136465586701904
Energy: 1.738091729712622
Energy: 1.6283960899127854
Energy: 1.5656324583671821
Energy: 1.6514444956900427
Energy: 1.5656324583656425
Energy: 1.6283960899127854
Energy: 1.5656324583656425
Energy: 1.3292886252750276
Energy: 1.5241353148794035
Energy: 1.3195693829035409
Energy: 1.5241353148794035
Energy: 1.3292886252757976
Energy: 1.5433721422084967
Energy: 1.3008625624622157
Energy: 1.5819776749491352
Energy: 1.3117820020403888
Energy: 1.581977674949905
Energy: 1.3008625624622157
Energy: 1.5819776749491352
Energy: 1.3025355842593949
Energy: 1.490296748467806
Energy: 1.8500911089431076
Energy: 1.4902967484685756
Energy: 1.3025355842586253
Energy: 1.4902967484685756
Energy: 1.6464709751142779
Energy: 1.8683625131482466
Energy: 1.7085656228934663
Energy: 1.8683625131490167
Energy: 1.6464709751135078
Energy: 1.8683625131505563
Energy: 1.3013837884295307
Energy: 1.694958707075343
Energy: 1.303704997869589
Energy: 1.694958707075343
Energy: 1.3013837884295307
Energy: 1.694958707075343
Energy: 1.6511332938055803
Energy: 1.3814106436424638
Energy: 1.3067274787273835
Energy: 1.3814106436424638
Energy: 1.65113329380481
Energy: 1.3814106436424638
Energy: 1.3526687060506974
Energy: 1.6798119573637487
Energy: 1.8257077656729261
Energy: 1.679811957364519
Energy: 1.3526687060506974
Energy: 1.6798119573637487
Energy: 1.8425790108297881
Energy: 2.096719926431193
Energy: 1.6775866943240711
Energy: 2.0967199264327325
Energy: 1.8425790108290183
Energy: 2.0967199264319625
Energy: 1.3163080657969106
Energy: 1.3385108813548712
Energy: 1.7455439766946144
Energy: 1.3385108813548712
Energy: 1.3163080657969106
Energy: 1.3385108813541016
Energy: 1.4746859818841709
Energy: 1.339499905009725
Energy: 1.3069929394270985
Energy: 1.339499905010495
Energy: 1.474685981987273
Energy: 1.339499905009725
Energy: 1.655462128367877
Energy: 2.0973235535200243
Energy: 1.3128427415423733
Energy: 2.0973235535200243
Energy: 1.6554621283963298
Energy: 2.0973235535200243
Energy: 1.8210515972416133
Energy: 1.6496666884507636
Energy: 1.3267867611633228
Energy: 1.6496666884507636
Energy: 1.8210515972416133
Energy: 1.6496666884499938
Energy: 1.3156059699500837
Energy: 1.3423686800578787
Energy: 1.6313607871494182
Energy: 1.3423686800578787
Energy: 1.3156059699500837
Energy: 1.3423686800571086
Energy: 1.3121055578554817
Energy: 1.5817240105459025
Energy: 1.300212585205919
Energy: 1.5817240105459025
Energy: 1.3121055578554817
Energy: 1.5817240105459025
Energy: 1.7051870862740501
Energy: 1.5347534894552295
Energy: 1.302578366395938
Energy: 1.5347534894559998
Energy: 1.7051870862740501
Energy: 1.5347534894552295
Energy: 1.8361726849051319
Energy: 1.367580688275974
Energy: 1.3004702655816625
Energy: 1.367580688275974
Energy: 1.836172684905902
Energy: 1.367580688275974
Energy: 1.3140506846668425
Energy: 1.579483685172782
Energy: 1.3027837822709023
Energy: 1.579483685172012
Energy: 1.3140506846668425
Energy: 1.579483685172782
Energy: 1.3180673704643395
Energy: 1.4790740090566075
Energy: 1.6286554606847035
Energy: 1.4790740090535277
Energy: 1.3180673704643395
Energy: 1.4790740090535277
Energy: 1.653077842953221
Energy: 1.6498352555229367
Energy: 1.3289804552153373
Energy: 1.649835255521397
Energy: 1.653077842953221
Energy: 1.6498352555229367
Energy: 1.6569669657866841
Energy: 1.8631247979015313
Energy: 1.3123286122709883
Energy: 1.8631247979007615
Energy: 1.6569669657874542
Energy: 1.8631247979015313
Energy: 1.3129346195416534
Energy: 1.3371351591962182
Energy: 1.3156106904206706
Energy: 1.3371351591962182
Energy: 1.3129346195416534
Energy: 1.3371351591969882
Energy: 1.3173421768417584
Energy: 1.5604382055224317
Energy: 1.8214667708638985
Energy: 1.5604382055224317
Energy: 1.3173421768417584
Energy: 1.5604382055224317
Energy: 1.638005056116965
Energy: 2.096796121227375
Energy: 1.6536381808031615
Energy: 2.096796121228145
Energy: 1.6380050561185049
Energy: 2.096796121227375
Energy: 1.3526399772063133
Energy: 1.6794187551200286
Energy: 1.7595309918327928
Energy: 1.6794187551207984
Energy: 1.3526399772070834
Energy: 1.6794187551200286
Energy: 1.7285642329439526
Energy: 1.3813056359937887
Energy: 1.316676190300952
Energy: 1.3813056359937887
Energy: 1.7285642329431825
Energy: 1.3813056359937887
Energy: 1.3348237469512994
Energy: 1.6975888562663937
Energy: 1.762552746131095
Energy: 1.6975888562656236
Energy: 1.3348237469512994
Energy: 1.6975888562663937
Energy: 1.6487192047048596
Energy: 2.105327625183905
Energy: 1.7044435433205634
Energy: 2.105327625183905
Energy: 1.6487192047048596
Energy: 2.105327625183135
Energy: 1.3002981027057152
Energy: 1.8378995200780746
Energy: 1.8671200403960528
Energy: 1.8378995200788446
Energy: 1.3002981027064855
Energy: 1.8378995200788446

minimum gb energy = 1.300212585205919 eV
minimum distance =  2.24633818839733 Angstroms
sigma value = 41


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

Energy: 1.1217259697000972
Energy: 2.1265047153437475
Energy: 2.086493559311747
Energy: 2.1265047153437475
Energy: 1.1217259697000972
Energy: 2.1265047153437475
Energy: 1.791816420832342
Energy: 1.082382739449852
Energy: 1.0655030780949102
Energy: 1.082382739449852
Energy: 1.791816420832342
Energy: 1.082382739449852
Energy: 1.1232759345659158
Energy: 1.2836857924249896
Energy: 1.0684056876478356
Energy: 1.2836857924249896
Energy: 1.1232759345659158
Energy: 1.2836857924249896
Energy: 1.7922091902833608
Energy: 1.086821540001082
Energy: 1.0656437536497456
Energy: 1.086821540001082
Energy: 1.7922091902812587
Energy: 1.086821540001082
Energy: 1.123621266737421
Energy: 1.6412386094584404
Energy: 1.0685713913063726
Energy: 1.6412386094731557
Energy: 1.123621266737421
Energy: 1.641238609466849
Energy: 1.1227699178815167
Energy: 1.1209520729752724
Energy: 1.066295924570072
Energy: 1.1209520729752724
Energy: 1.1227699178815167
Energy: 1.1209520729752724
Energy: 1.8787205611648896
Energy: 1.0867074067262377
Energy: 1.0688466268904766
Energy: 1.0867074067262377
Energy: 1.878720561166992
Energy: 1.0867074067262377
Energy: 1.1222854121800772
Energy: 1.0829483149734989
Energy: 1.066341127115163
Energy: 1.0829483149756012
Energy: 1.1222854121821795
Energy: 1.0829483149734989
Energy: 1.7926378402766554
Energy: 1.1078652390467905
Energy: 1.0685863869413856
Energy: 1.1078652390467905
Energy: 1.7926378402766554
Energy: 1.1078652390467905
Energy: 1.122202629319902
Energy: 1.6230254398187793
Energy: 1.0674996610277512
Energy: 1.6230254398187793
Energy: 1.122202629319902
Energy: 1.6230254398187793
Energy: 1.8144429741330015
Energy: 1.0882540826285336
Energy: 1.0684068621751912
Energy: 1.0882540826285336
Energy: 1.8144429741330015
Energy: 1.0882540826285336
Energy: 1.1225502482295033
Energy: 1.283238916216124
Energy: 1.833901616680757
Energy: 1.2832389162182263
Energy: 1.1225502482295033
Energy: 1.2832389162182263
Energy: 1.8139594195631743
Energy: 1.0882251270693017
Energy: 1.068400224784948
Energy: 1.0882251270693017
Energy: 1.813959419561072
Energy: 1.0882251270693017
Energy: 1.1222209296630659
Energy: 1.6229659255553102
Energy: 1.0675804641035276
Energy: 1.6229659255553102
Energy: 1.1222209296630659
Energy: 1.6229659255553102

minimum gb energy = 1.0655030780949102 eV
minimum distance =  2.26860643775948 Angstroms
sigma value = 11


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

Energy: 1.9224812748994742
Energy: 1.852125744440809
Energy: 1.9357233043863267
Energy: 1.8521257444177222
Energy: 1.9224812748994742
Energy: 1.852125744293115
Energy: 1.7844932274721024
Energy: 1.8404898860199004
Energy: 1.3407639898019366
Energy: 1.8404898860208239
Energy: 1.7844932274721024
Energy: 1.8404898860189771
Energy: 1.3409168818433483
Energy: 1.5401227333130987
Energy: 1.3429823395417684
Energy: 1.5401227333130987
Energy: 1.3409168818433483
Energy: 1.5401227333130987
Energy: 1.3590048950994813
Energy: 1.4135132651051907
Energy: 1.3407353384512684
Energy: 1.4135132651051907
Energy: 1.3590048950994813
Energy: 1.4135132651051907
Energy: 1.674632885964889
Energy: 1.6345268060954063
Energy: 1.361806347716799
Energy: 1.6345268060954063
Energy: 1.674632885964889
Energy: 1.6345268060954063
Energy: 1.3854471516724731
Energy: 1.6530109596110156
Energy: 1.6768603596576968
Energy: 1.6530109596100921
Energy: 1.3854471516724731
Energy: 1.6530109596110156
Energy: 1.3594250180952516
Energy: 1.8174758238471462
Energy: 1.382325278273304
Energy: 1.8174758238471462
Energy: 1.3594250180952516
Energy: 1.8174758238471462
Energy: 1.3415666609134984
Energy: 1.412865017438393
Energy: 1.4503784114745362
Energy: 1.412865017438393
Energy: 1.3415666609134984
Energy: 1.412865017438393
Energy: 1.6728812033424891
Energy: 1.4751251424283152
Energy: 1.3404157626532158
Energy: 1.4751251424273917
Energy: 1.6728812033424891
Energy: 1.4751251424283152
Energy: 1.3421296798802709
Energy: 1.8412383962693193
Energy: 1.4772816887866553
Energy: 1.8412383962683956
Energy: 1.3421296798802709
Energy: 1.8412383962702428
Energy: 1.5106562019147083
Energy: 1.8844812528777763
Energy: 1.7156490041555308
Energy: 1.8844812528777763
Energy: 1.5106562019137848
Energy: 1.8844812528777763
Energy: 1.3416762436819836
Energy: 1.5928057728191376
Energy: 1.7172201570692034
Energy: 1.5928057728182141
Energy: 1.3416762436819836
Energy: 1.5928057728209846
Energy: 1.340268871840573
Energy: 1.5487672100819398
Energy: 1.4947199212050117
Energy: 1.5487672100819398
Energy: 1.3402688718414968
Energy: 1.5487672100819398
Energy: 1.3587332936504748
Energy: 1.4752833093542357
Energy: 1.3596018718141283
Energy: 1.4752833093542357
Energy: 1.3587332936504748
Energy: 1.4752833093542357
Energy: 1.3404133290624203
Energy: 1.7171414913732987
Energy: 1.5070914875054156
Energy: 1.7171414913732987
Energy: 1.3404133290614968
Energy: 1.7171414913732987
Energy: 1.9356347842745656
Energy: 1.8182605834752197
Energy: 1.3822451699707736
Energy: 1.8182605834752197
Energy: 1.9356347842745656
Energy: 1.8182605834752197
Energy: 1.3824987212532065
Energy: 1.8188712025374407
Energy: 1.6189673096699744
Energy: 1.8188712025374407
Energy: 1.3824987212532065
Energy: 1.8188712025365172
Energy: 1.6766688059808201
Energy: 1.716489503435826
Energy: 1.3405789520618947
Energy: 1.716489503435826
Energy: 1.6766688059808201
Energy: 1.716489503435826
Energy: 1.3625989557974572
Energy: 1.621617822911433
Energy: 1.3584052205252637
Energy: 1.621617822911433
Energy: 1.3625989557974572
Energy: 1.621617822911433
Energy: 1.3403938587271433
Energy: 1.5397723369106742
Energy: 1.3434848689997339
Energy: 1.5397723369106742
Energy: 1.3403938587271433
Energy: 1.5397723369106742
Energy: 1.71602608221639
Energy: 1.5964903565184445
Energy: 1.3409239129054735
Energy: 1.5964903565184445
Energy: 1.71602608221639
Energy: 1.596490356517521
Energy: 1.7180679122810483
Energy: 1.8562637623251517
Energy: 1.5991564700320444
Energy: 1.856263762324228
Energy: 1.7180679122801248
Energy: 1.8562637623251517
Energy: 1.4791981636825002
Energy: 1.8427700065178092
Energy: 1.340781433987194
Energy: 1.8427700065178092
Energy: 1.4791981636825002
Energy: 1.8427700065178092
Energy: 1.340300046552511
Energy: 1.4747131165973433
Energy: 1.6772831830616355
Energy: 1.4747131165973433
Energy: 1.3403000465515873
Energy: 1.4747131165973433
Energy: 1.4520841102904767
Energy: 1.41289234348066
Energy: 1.3406364855309498
Energy: 1.41289234348066
Energy: 1.4520841102904767
Energy: 1.41289234348066
Energy: 1.3824349155094322
Energy: 1.7531464377179788
Energy: 1.3588121602416077
Energy: 1.7531464377179788
Energy: 1.3824349155094322
Energy: 1.7531464377179788
Energy: 1.6746001599730769
Energy: 1.6511200504536878
Energy: 1.6744935755108297
Energy: 1.6511200504536878
Energy: 1.6746001599730769
Energy: 1.6511200504536878
Energy: 1.3587456950389527
Energy: 1.6369637719169952
Energy: 1.3860336951447374
Energy: 1.6369637719169952
Energy: 1.3587456950389527
Energy: 1.6369637719169952
Energy: 1.3446540905752853
Energy: 1.4132548534672866
Energy: 1.3591265090883686
Energy: 1.4132548534672866
Energy: 1.344654090576209
Energy: 1.4132548534672866
Energy: 1.3403897587347464
Energy: 1.5416355508444195
Energy: 1.342184709125122
Energy: 1.5416355508444195
Energy: 1.3403897587347464
Energy: 1.5416355508444195
Energy: 1.3403937912792614
Energy: 1.8428700184063636
Energy: 1.7836685173697913
Energy: 1.8428700184063636
Energy: 1.3403937912792614
Energy: 1.8428700184063636

minimum gb energy = 1.340268871840573 eV
minimum distance =  2.23841888081299 Angstroms
sigma value = 57


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

Energy: 1.4883347167618717
Energy: 1.5166128575865847
Energy: 1.9095709845352566
Energy: 1.5166128575865847
Energy: 1.4883347167618717
Energy: 1.5166128575865847
Energy: 1.4843404862783758
Energy: 1.4872084227746034
Energy: 1.428762772955422
Energy: 1.4872084227746034
Energy: 1.4843404862783758
Energy: 1.4784822814117513
Energy: 1.429421035731377
Energy: 1.5069059957868773
Energy: 1.4280854977748028
Energy: 1.5069059957868773
Energy: 1.429421035731377
Energy: 1.5069059957868773
Energy: 1.4283143500782622
Energy: 1.5489008893129583
Energy: 1.428699372565691
Energy: 1.6516672005305537
Energy: 1.4283143500799056
Energy: 1.5489008889860818
Energy: 1.4280604981713407
Energy: 1.5066941758876153
Energy: 1.4292936436476245
Energy: 1.5066941758876153
Energy: 1.4280604981713407
Energy: 1.5066941758876153
Energy: 1.4284314011234742
Energy: 1.486939652439116
Energy: 1.4844968884967762
Energy: 1.486939652439116
Energy: 1.4284314011218682
Energy: 1.486939652439116
Energy: 1.8413830459664449
Energy: 1.5166128575849416
Energy: 1.488334716763515
Energy: 1.5166128575865847
Energy: 1.8413830459648015
Energy: 1.5166128575865847
Energy: 1.428762772955422
Energy: 1.4784822814117513
Energy: 1.4843404862783758
Energy: 1.4784822814117513
Energy: 1.4287627729570653
Energy: 1.6161318303645993
Energy: 1.4280854977748028
Energy: 1.5069059957868773
Energy: 1.429421035731377
Energy: 1.5069059957868773
Energy: 1.4280854977748028
Energy: 1.5069059957868773
Energy: 1.4286993725673343
Energy: 1.5386478317058416
Energy: 1.4283143500782622
Energy: 1.5489008880136315
Energy: 1.4286993725673343
Energy: 1.65830349570346
Energy: 1.429293643645981
Energy: 1.5066941758876153
Energy: 1.4280604981713407
Energy: 1.5066941758876153
Energy: 1.429293643645981
Energy: 1.5066941758876153
Energy: 1.4844968884967762
Energy: 1.4869396524407592
Energy: 1.4284314011234742
Energy: 1.486939652439116
Energy: 1.4844968884967762
Energy: 1.486939652439116
Energy: 1.4883347167618717
Energy: 1.5166128575865847
Energy: 1.8413830459664449
Energy: 1.5166128575849416
Energy: 1.488334716763515
Energy: 1.5166128575865847
Energy: 1.4843404862767322
Energy: 1.4784822814117513
Energy: 1.4287627729570653
Energy: 1.4784822814117513
Energy: 1.4843404862783758
Energy: 1.4784822814117513
Energy: 1.429421035731377
Energy: 1.5069059957868773
Energy: 1.4280854977748028
Energy: 1.5069059957868773
Energy: 1.429421035731377
Energy: 1.5069059957868773
Energy: 1.4283143500782622
Energy: 1.5489008867307754
Energy: 1.428699372565691
Energy: 1.5489008868572385
Energy: 1.4283143500782622
Energy: 1.5489008865697649
Energy: 1.4280604981713407
Energy: 1.5066941758876153
Energy: 1.429293643645981
Energy: 1.5066941758876153
Energy: 1.4280604981713407
Energy: 1.5066941758876153

minimum gb energy = 1.4280604981713407 eV
minimum distance =  2.28426903880432 Angstroms
sigma value = 9


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

Energy: 1.5987217345231348
Energy: 1.6619363579851125
Energy: 1.6946768052298162
Energy: 1.6619363579851125
Energy: 1.598721734521793
Energy: 1.6619363579851125
Energy: 1.5056397981362142
Energy: 1.6028356335822354
Energy: 1.4644553801473088
Energy: 1.6028356335835772
Energy: 1.5056397981362142
Energy: 1.6028356335822354
Energy: 1.504140306405721
Energy: 1.5926939905113873
Energy: 1.467551625153861
Energy: 1.5926939905113873
Energy: 1.504140306405721
Energy: 1.5926939905113873
Energy: 1.484359907221424
Energy: 1.533448254545853
Energy: 1.5031707917723955
Energy: 1.533448254545853
Energy: 1.484359907221424
Energy: 1.533448254545853
Energy: 1.4665822550754923
Energy: 1.6044457055125187
Energy: 1.467126963374204
Energy: 1.6044457055125187
Energy: 1.4665822550754923
Energy: 1.6044457055125187
Energy: 1.4844525931267196
Energy: 1.5133544978489208
Energy: 1.554160946214298
Energy: 1.5133544978489208
Energy: 1.4844525931267196
Energy: 1.5133544978489208
Energy: 1.4881253229293432
Energy: 1.6004607444553152
Energy: 1.4670882030053791
Energy: 1.6004607444553152
Energy: 1.4881253229293432
Energy: 1.6004607444539731
Energy: 1.5251986107700035
Energy: 1.6451113978018028
Energy: 1.4644182397843952
Energy: 1.6451113978031444
Energy: 1.5251986107700035
Energy: 1.6451113978018028
Energy: 1.5234796304118827
Energy: 1.5959746190701343
Energy: 1.4776010748301727
Energy: 1.5959746190701343
Energy: 1.5234796304118827
Energy: 1.5959746190701343
Energy: 1.592584541606475
Energy: 1.6717435346527063
Energy: 1.4641202593328166
Energy: 1.6717435346527063
Energy: 1.592584541606475
Energy: 1.6717435346527063
Energy: 1.4877564491485142
Energy: 1.5141931268117277
Energy: 1.5052795403825185
Energy: 1.5141931268117277
Energy: 1.4877564491485142
Energy: 1.5141931268117277
Energy: 1.484495226954498
Energy: 1.5290677156744812
Energy: 1.504142539068997
Energy: 1.5290677156744812
Energy: 1.484495226954498
Energy: 1.5290677156744812
Energy: 1.4869985867348996
Energy: 1.5935786875753941
Energy: 1.4650256193636109
Energy: 1.5935786875753941
Energy: 1.4869985867362414
Energy: 1.5935786875753941
Energy: 1.4848074458616822
Energy: 1.515131444608601
Energy: 1.4746711701533894
Energy: 1.515131444608601
Energy: 1.4848074458616822
Energy: 1.515131444608601
Energy: 1.5945935321724687
Energy: 1.6704317459343394
Energy: 1.4837052573402933
Energy: 1.6704317459343394
Energy: 1.5945935321724687
Energy: 1.6704317459343394
Energy: 1.5217245924128928
Energy: 1.5891229770782296
Energy: 1.474198368252572
Energy: 1.589122977076888
Energy: 1.5217245924128928
Energy: 1.5891229770782296
Energy: 1.5216203761058342
Energy: 1.5895026381739457
Energy: 1.5041963430452905
Energy: 1.5895026381739457
Energy: 1.5216203761071758
Energy: 1.5895026381739457
Energy: 1.5699789345050326
Energy: 1.6010896257657012
Energy: 1.4639108381401953
Energy: 1.6010896257657012
Energy: 1.5699789345050326
Energy: 1.6010896257657012
Energy: 1.4882586277978151
Energy: 1.5145260454517235
Energy: 1.4766813434875798
Energy: 1.5145260454530654
Energy: 1.4882586277978151
Energy: 1.5145260454517235
Energy: 1.4847335367906003
Energy: 1.6002303650795513
Energy: 1.4643180821400368
Energy: 1.6002303650795513
Energy: 1.4847335367906003
Energy: 1.6002303650795513
Energy: 1.488250624766025
Energy: 1.5285425735317206
Energy: 1.50953376933687
Energy: 1.5285425735317206
Energy: 1.488250624766025
Energy: 1.5285425735303788

minimum gb energy = 1.4639108381401953 eV
minimum distance =  2.28553056336561 Angstroms
sigma value = 27


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

Energy: 1.6462153695907245
Energy: 1.5436441602370614
Energy: 1.712104980032494
Energy: 1.5436441602359303
Energy: 1.6462153695907245
Energy: 1.5436441602381923
Energy: 1.4933515929628614
Energy: 1.7466430121851915
Energy: 1.5081206661253472
Energy: 1.7466430121851915
Energy: 1.4933515929628614
Energy: 1.7466430121840606
Energy: 1.4823739977593384
Energy: 1.6745167579798417
Energy: 1.5085744736035436
Energy: 1.6745167579798417
Energy: 1.4823739977593384
Energy: 1.6745167579798417
Energy: 1.4773594703755033
Energy: 1.6114630832930734
Energy: 1.5019243365597257
Energy: 1.6114630832930734
Energy: 1.4773594703755033
Energy: 1.6114630832930734
Energy: 1.458373655139875
Energy: 1.6224953598058298
Energy: 1.4646615995696728
Energy: 1.6224953598058298
Energy: 1.458373655139875
Energy: 1.6224953598058298
Energy: 1.5110129263697274
Energy: 1.5499317926712837
Energy: 1.4843833218605675
Energy: 1.5499317926701526
Energy: 1.5110129263697274
Energy: 1.5499317926712837
Energy: 1.4756818650992918
Energy: 1.5585058713747402
Energy: 1.4772055318807182
Energy: 1.5585058713747402
Energy: 1.4756818650992918
Energy: 1.5585058713736093
Energy: 1.4773528050967821
Energy: 1.5955296382475013
Energy: 1.4771428879449442
Energy: 1.5955296382475013
Energy: 1.4773528050967821
Energy: 1.5955296382475013
Energy: 1.5088005152959072
Energy: 1.6285330993908431
Energy: 1.604599295329588
Energy: 1.6285330993908431
Energy: 1.5088005152959072
Energy: 1.6285330993908431
Energy: 1.4800002878971747
Energy: 1.7084584566940517
Energy: 1.5033349179011306
Energy: 1.7084584566929206
Energy: 1.4800002878971747
Energy: 1.7084584566940517
Energy: 1.4778395560660247
Energy: 1.647581529947093
Energy: 1.5029272257816326
Energy: 1.647581529947093
Energy: 1.4778395560660247
Energy: 1.647581529947093
Energy: 1.5079175437042633
Energy: 1.632471388003885
Energy: 1.532176049661451
Energy: 1.632471388003885
Energy: 1.5079175437053942
Energy: 1.632471388003885
Energy: 1.4727299929322533
Energy: 1.6502874186851182
Energy: 1.4770716326388147
Energy: 1.6502874186851182
Energy: 1.4727299929322533
Energy: 1.6502874186851182
Energy: 1.4662387709406979
Energy: 1.630463694647837
Energy: 1.4772699162992855
Energy: 1.6304636946467057
Energy: 1.4662387709406979
Energy: 1.630463694647837
Energy: 1.5043786449130787
Energy: 1.5606816116397861
Energy: 1.4842338203678145
Energy: 1.5606816116397861
Energy: 1.5043786449130787
Energy: 1.5606816116397861
Energy: 1.4565287509934866
Energy: 1.6224953598058298
Energy: 1.4648536453175702
Energy: 1.6224953598058298
Energy: 1.4565287509934866
Energy: 1.6224953598058298
Energy: 1.5093023477265293
Energy: 1.6447650539466885
Energy: 1.4587791597660071
Energy: 1.6447650539466885
Energy: 1.5093023477265293
Energy: 1.6447650539466885
Energy: 1.4822163466620732
Energy: 1.7092412750427366
Energy: 1.5080883614812302
Energy: 1.7092412750427366
Energy: 1.4822163466620732
Energy: 1.7092412750427366
Energy: 1.4852141493675577
Energy: 1.6622213808378605
Energy: 1.508543854523533
Energy: 1.6622213808367294
Energy: 1.4852141493675577
Energy: 1.6622213808401225
Energy: 1.6462153695907245
Energy: 1.5436441602381923
Energy: 1.712104980032494
Energy: 1.5436441602381923
Energy: 1.6462153695907245
Energy: 1.5436441602393232
Energy: 1.4933515929617305
Energy: 1.7466430121851915
Energy: 1.5081206661253472
Energy: 1.7466430121840606
Energy: 1.4933515929628614
Energy: 1.7466430121851915
Energy: 1.4823739977593384
Energy: 1.6745167579798417
Energy: 1.5085744736035436
Energy: 1.6745167579798417
Energy: 1.4823739977593384
Energy: 1.6745167579798417
Energy: 1.477359470374372
Energy: 1.6114630832930734
Energy: 1.5019243365585948
Energy: 1.6114630832930734
Energy: 1.477359470374372
Energy: 1.6114630832930734
Energy: 1.458373655139875
Energy: 1.6224953598058298
Energy: 1.4646615995696728
Energy: 1.6224953598058298
Energy: 1.458373655139875
Energy: 1.6224953598058298
Energy: 1.5110129263708583
Energy: 1.5499317926712837
Energy: 1.4843833218605675
Energy: 1.5499317926712837
Energy: 1.5110129263697274
Energy: 1.5499317926712837

minimum gb energy = 1.4565287509934866 eV
minimum distance =  2.27632021520181 Angstroms
sigma value = 19


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

Energy: 1.5848520697073007
Energy: 1.5263571849554711
Energy: 1.6480036427442735
Energy: 1.5263571849564472
Energy: 1.5848520697073007
Energy: 1.5263571849564472
Energy: 1.4075384570475866
Energy: 1.582789220419692
Energy: 1.3843918030002562
Energy: 1.582789220419692
Energy: 1.4075384570466103
Energy: 1.582789220419692
Energy: 1.4018655096448933
Energy: 1.5350497200770747
Energy: 1.3849917865116834
Energy: 1.5350497200770747
Energy: 1.4018655096448933
Energy: 1.5350497200770747
Energy: 1.3889287536305033
Energy: 1.6188563147596355
Energy: 1.43248862925883
Energy: 1.6188563147596355
Energy: 1.3889287536305033
Energy: 1.6188563147596355
Energy: 1.3921728319760038
Energy: 1.5073424020948891
Energy: 1.4146572724992204
Energy: 1.5073424020948891
Energy: 1.3921728319760038
Energy: 1.5073424020948891
Energy: 1.4065671611719324
Energy: 1.49712148968116
Energy: 1.4116866256418263
Energy: 1.49712148968116
Energy: 1.4065671611719324
Energy: 1.49712148968116
Energy: 1.388770188008326
Energy: 1.5898213310577487
Energy: 1.4128658879912463
Energy: 1.5898213310577487
Energy: 1.388770188008326
Energy: 1.5898213310577487
Energy: 1.4071142752834365
Energy: 1.506897643519328
Energy: 1.411717415986579
Energy: 1.506897643519328
Energy: 1.4071142752834365
Energy: 1.506897643519328
Energy: 1.3884841975663464
Energy: 1.6254269420620295
Energy: 1.4735620739013886
Energy: 1.6254269420620295
Energy: 1.3884841975663464
Energy: 1.6254269420620295
Energy: 1.3874176752815373
Energy: 1.5732271872674424
Energy: 1.3848936425551683
Energy: 1.5732271872674424
Energy: 1.3874176752815373
Energy: 1.5732271872674424
Energy: 1.405928851585404
Energy: 1.5358059452190522
Energy: 1.4007104272227797
Energy: 1.5358059452190522
Energy: 1.4059288515844277
Energy: 1.5358059452190522
Energy: 1.4192957718291364
Energy: 1.6578634704918678
Energy: 1.3890617459052759
Energy: 1.6578634704918678
Energy: 1.4192957718291364
Energy: 1.6578634704918678
Energy: 1.4192894565181429
Energy: 1.6756267737032713
Energy: 1.3852466010750017
Energy: 1.6756267737032713
Energy: 1.4192894565181429
Energy: 1.6756267737032713
Energy: 1.4043838618492612
Energy: 1.548802641131502
Energy: 1.416702720498513
Energy: 1.548802641131502
Energy: 1.4043838618492612
Energy: 1.548802641131502
Energy: 1.3874729722817887
Energy: 1.614130350347726
Energy: 1.3853042987157975
Energy: 1.614130350347726
Energy: 1.3874729722817887
Energy: 1.614130350347726
Energy: 1.3858814333360305
Energy: 1.5536161797194552
Energy: 1.3845564151796812
Energy: 1.5536161797184789
Energy: 1.3858814333360305
Energy: 1.5536161797184789
Energy: 1.4066245824892483
Energy: 1.5101390120377518
Energy: 1.3843638316578848
Energy: 1.5101390120377518
Energy: 1.4066245824892483
Energy: 1.5101390120377518
Energy: 1.3856952537157432
Energy: 1.590878462153598
Energy: 1.3849849322186627
Energy: 1.590878462153598
Energy: 1.3856952537157432
Energy: 1.590878462153598
Energy: 1.4068117892800687
Energy: 1.5101864807783276
Energy: 1.384444513596271
Energy: 1.5101864807783276
Energy: 1.4068117892800687
Energy: 1.5101864807783276
Energy: 1.3857865947777723
Energy: 1.5535659340750851
Energy: 1.3845824335484294
Energy: 1.553565934074109
Energy: 1.3857865947777723
Energy: 1.5535659340750851
Energy: 1.3864738995172197
Energy: 1.6141440451936377
Energy: 1.3853523327934376
Energy: 1.6141440451936377
Energy: 1.3864738995172197
Energy: 1.6141440451936377
Energy: 1.4043426970557806
Energy: 1.5490254358106024
Energy: 1.4167894846198876
Energy: 1.5490254358106024
Energy: 1.4043426970557806
Energy: 1.5490254358096263
Energy: 1.4193199699480257
Energy: 1.6756006428735037
Energy: 1.3852594776088003
Energy: 1.6756006428735037
Energy: 1.4193199699480257
Energy: 1.6756006428735037
Energy: 1.4203268236645377
Energy: 1.6578762902793966
Energy: 1.3889592751356183
Energy: 1.6578762902784203
Energy: 1.4203268236645377
Energy: 1.6578762902784203
Energy: 1.4059245021830544
Energy: 1.535821569922448
Energy: 1.3864474610818047
Energy: 1.535821569922448
Energy: 1.4059245021830544
Energy: 1.535821569922448
Energy: 1.3873671404547512
Energy: 1.5731591943923577
Energy: 1.384881501772843
Energy: 1.5731591943923577
Energy: 1.3873671404547512
Energy: 1.5731591943923577
Energy: 1.3887164960369218
Energy: 1.6252667490511379
Energy: 1.4614426829173204
Energy: 1.6252667490511379
Energy: 1.3887164960369218
Energy: 1.6252667490511379
Energy: 1.4071286377101904
Energy: 1.506821269459475
Energy: 1.4116666348176579
Energy: 1.5068212694604513
Energy: 1.4071286377111665
Energy: 1.5068212694604513
Energy: 1.3883869229604267
Energy: 1.589821331058725
Energy: 1.4132639011764507
Energy: 1.589821331058725
Energy: 1.3883869229604267
Energy: 1.589821331058725

minimum gb energy = 1.3843638316578848 eV
minimum distance =  2.28503894299846 Angstroms
sigma value = 101


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

Energy: 1.516654775418281
Energy: 1.4737741928230006
Energy: 1.5052795748128212
Energy: 1.4737741928238588
Energy: 1.516654775418281
Energy: 1.4737741928238588
Energy: 1.3538697153525878
Energy: 1.6014330303481887
Energy: 1.3389738721892246
Energy: 1.6014330303481887
Energy: 1.3538697153525878
Energy: 1.6014330303490467
Energy: 1.3347787185862097
Energy: 1.5237046807797192
Energy: 1.33841299206073
Energy: 1.523704680778861
Energy: 1.3347787185862097
Energy: 1.5237046807797192
Energy: 1.316723714885738
Energy: 1.5714416848299106
Energy: 1.3337328918032203
Energy: 1.5072263322531405
Energy: 1.316723714885738
Energy: 1.534914726138881
Energy: 1.3172688066732263
Energy: 1.503393567686261
Energy: 1.344202279837352
Energy: 1.503393567686261
Energy: 1.317268806672368
Energy: 1.503393567686261
Energy: 1.3349839505653494
Energy: 1.5429731175728332
Energy: 1.3173741334820201
Energy: 1.5429731175728332
Energy: 1.3349839505653494
Energy: 1.5429731175728332
Energy: 1.3443638615210225
Energy: 1.565150602040432
Energy: 1.3167328002898802
Energy: 1.5651506020412902
Energy: 1.3443638615210225
Energy: 1.5651506020412902
Energy: 1.3334797193318255
Energy: 1.5755219991191782
Energy: 1.3351213756777656
Energy: 1.5741990542025122
Energy: 1.3334797193318255
Energy: 1.5755219991191782
Energy: 1.3171457676787675
Energy: 1.520132070930282
Energy: 1.3345611868099132
Energy: 1.520132070930282
Energy: 1.3171457676787675
Energy: 1.5201320709294233
Energy: 1.316671483554171
Energy: 1.5037822725972283
Energy: 1.3171660140095462
Energy: 1.5037822725972283
Energy: 1.316671483554171
Energy: 1.5037822725972283
Energy: 1.3723448400427454
Energy: 1.5266507273597307
Energy: 1.4156444203649046
Energy: 1.5266507273597307
Energy: 1.3723448400427454
Energy: 1.5266507273597307
Energy: 1.33879653558729
Energy: 1.5423449255059374
Energy: 1.31777367647752
Energy: 1.5423449255059374
Energy: 1.33879653558729
Energy: 1.5423449255059374
Energy: 1.3384626423985302
Energy: 1.5295030489034436
Energy: 1.3634484269318918
Energy: 1.5295030489043018
Energy: 1.3384626423985302
Energy: 1.5295030489034436
Energy: 1.3338970258840575
Energy: 1.5023678608687967
Energy: 1.366763340585552
Energy: 1.49731991410836
Energy: 1.3338970258840575
Energy: 1.5023678608679387
Energy: 1.3170544027015403
Energy: 1.6998624015409898
Energy: 1.36478288953277
Energy: 1.6998624015409898
Energy: 1.3170544027015403
Energy: 1.6998624015409898
Energy: 1.3391311455716297
Energy: 1.5284542339480434
Energy: 1.3350202537529652
Energy: 1.5284542339480434
Energy: 1.3391311455716297
Energy: 1.5284542339480434
Energy: 1.3168205397699984
Energy: 1.5454240618268638
Energy: 1.3173240759338225
Energy: 1.5454240618277222
Energy: 1.3168205397708563
Energy: 1.5454240618277222
Energy: 1.335268474552464
Energy: 1.5805269143509184
Energy: 1.3167343183807179
Energy: 1.5805269143517766
Energy: 1.335268474552464
Energy: 1.5805269143517766
Energy: 1.3168439770630282
Energy: 1.5295603710005798
Energy: 1.3334127604665107
Energy: 1.5295603710005798
Energy: 1.3168439770630282
Energy: 1.5295603710005798
Energy: 1.3325644751409103
Energy: 1.5657669526495812
Energy: 1.3168406492531162
Energy: 1.5657669526495812
Energy: 1.3325644751417685
Energy: 1.5657669526495812
Energy: 1.35059074645503
Energy: 1.4515812251018567
Energy: 1.3337541111330649
Energy: 1.4515812251018567
Energy: 1.3505907464541718
Energy: 1.4515812251009983
Energy: 1.3172973788514886
Energy: 1.5215802636916924
Energy: 1.3165961987890606
Energy: 1.5215802636925504
Energy: 1.3172973788506306
Energy: 1.5215802636916924
Energy: 1.3289835780534778
Energy: 1.508528298378352
Energy: 1.3172742924523948
Energy: 1.5085282983774937
Energy: 1.328983578054336
Energy: 1.5085282983774937
Energy: 1.3167098044285934
Energy: 1.555979810665739
Energy: 1.3811975515634431
Energy: 1.555979810665739
Energy: 1.3167098044294516
Energy: 1.5994255343097636
Energy: 1.31712886049411
Energy: 1.5995703244166442
Energy: 1.3170462330981143
Energy: 1.5995703244166442
Energy: 1.31712886049411
Energy: 1.5995703244166442
Energy: 1.3646112332245965
Energy: 1.4460448000835346
Energy: 1.3394486697011032
Energy: 1.4460448000835346
Energy: 1.3646112332245965
Energy: 1.4460448000843926
Energy: 1.3647422564617868
Energy: 1.6612742908753948
Energy: 1.3211403771995367
Energy: 1.6612742908753948
Energy: 1.3647422564609288
Energy: 1.6612742908753948
Energy: 1.3646550839644194
Energy: 1.7016001341424276
Energy: 1.3168820690215999
Energy: 1.7016001341415696
Energy: 1.3646550839635612
Energy: 1.7016001341415696
Energy: 1.4068372646761853
Energy: 1.4453048006289388
Energy: 1.4328231239174523
Energy: 1.445304800629797
Energy: 1.4068372646761853
Energy: 1.445304800629797
Energy: 1.3166973980968737
Energy: 1.5411579695780677
Energy: 1.336611112718712
Energy: 1.5411579695780677
Energy: 1.3166973980968737
Energy: 1.5411579695772095
Energy: 1.3166474664109795
Energy: 1.5558796042439729
Energy: 1.3505677946055057
Energy: 1.5558796042448313
Energy: 1.3166474664109795
Energy: 1.5558796042439729
Energy: 1.364734052296696
Energy: 1.5268184790415238
Energy: 1.3174528295401318
Energy: 1.526818479042382
Energy: 1.364734052296696
Energy: 1.526818479042382
Energy: 1.3174293402575388
Energy: 1.5650860764833614
Energy: 1.3289692018983206
Energy: 1.5650860764833614
Energy: 1.3174293402575388
Energy: 1.5650860764833614

minimum gb energy = 1.3165961987890606 eV
minimum distance =  2.28047834728203 Angstroms
sigma value = 33


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

Energy: 0.015046509208510656
Energy: 0.015856471405966115
Energy: 1.3237068805846284
Energy: 0.015856471405966115
Energy: 0.015046509208510656
Energy: 0.015856471405966115
Energy: 0.015407847555379873
Energy: 0.7009184029712118
Energy: 0.015407847555379873
Energy: 0.7009184029718852
Energy: 0.015407847555379873
Energy: 0.7009184029718852
Energy: 1.5187926256874484
Energy: 0.015856471405966115
Energy: 0.015046509208510656
Energy: 0.015856471405966115
Energy: 1.5187926256874484
Energy: 0.015856471406679177
Energy: 0.015407847555379873
Energy: 0.7009184029712118
Energy: 0.015407847555379873
Energy: 0.7009184029712118
Energy: 0.015407847555379873
Energy: 0.7009184029712118

minimum gb energy = 0.015046509208510656 eV
minimum distance =  2.44720252533318 Angstroms
sigma value = 1