Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
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=2.865948021411896
cohesive_energy=4.290335425356015
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: -2.38418579101562e-07 eV

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

Energy: 0.013191681328814021
Energy: 0.013771265730233998
Energy: 0.43214296193253116
Energy: 0.01377126573070524
Energy: 0.013191681329312983
Energy: 0.01377126573070524
Energy: 0.013771265730233998
Energy: 2.436188781947437
Energy: 0.013771265732174404
Energy: 2.436188781947437
Energy: 0.013771265730233998
Energy: 2.436188781947437
Energy: 0.4321429619330301
Energy: 0.013771265732174404
Energy: 0.013191681328814021
Energy: 0.013771265732174404
Energy: 0.43214296193253116
Energy: 0.013771265732174404
Energy: 0.013771265730233998
Energy: 2.436188781947437
Energy: 0.013771265732174404
Energy: 2.436188781947437
Energy: 0.013771265731204203
Energy: 2.436188781947437
Energy: 0.013191681329312983
Energy: 0.013771265730233998
Energy: 0.43214296193156093
Energy: 0.013771265731204203
Energy: 0.013191681329312983
Energy: 0.01377126573070524
Energy: 0.013771265731204203
Energy: 2.436188781947437
Energy: 0.013771265732174404
Energy: 2.436188781947437
Energy: 0.013771265731204203
Energy: 2.436188781947437

minimum gb energy = 0.013191681328814021 eV
minimum distance =  2.42524909249312 Angstroms
sigma value = 1


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

Energy: 1.4099778558883476
Energy: 1.4310636885313723
Energy: 1.2866373415984078
Energy: 1.4310636885313723
Energy: 1.4099778558883476
Energy: 1.4310636885301715
Energy: 1.3493764814273024
Energy: 1.401906103707511
Energy: 1.3481481647381603
Energy: 1.401906103707511
Energy: 1.3493764814273024
Energy: 1.4019061037063099
Energy: 1.220004097785466
Energy: 1.4020517948924665
Energy: 1.4101202681464449
Energy: 1.4020517948924665
Energy: 1.220004097785466
Energy: 1.4020517948924665
Energy: 1.3671923551437344
Energy: 1.3842053789467648
Energy: 1.2156773993375005
Energy: 1.3842053789455633
Energy: 1.3671923551437344
Energy: 1.3842053789455633
Energy: 1.4333838171949904
Energy: 1.4313073565133618
Energy: 1.3360063305594085
Energy: 1.4313073565133618
Energy: 1.4333838171949904
Energy: 1.4313073565133618
Energy: 1.4053841381809713
Energy: 1.4020127575873333
Energy: 1.2271244839100932
Energy: 1.4020127575873333
Energy: 1.4053841381809713
Energy: 1.4020127575873333
Energy: 1.4052741786560017
Energy: 1.401997745091084
Energy: 1.2204150586107438
Energy: 1.4019977450922851
Energy: 1.4052741786584038
Energy: 1.4019977450922851
Energy: 1.4570584879657031
Energy: 1.4314287943963144
Energy: 1.2163726203920555
Energy: 1.4314287943963144
Energy: 1.4570584879657031
Energy: 1.4314287943963144
Energy: 1.3695412177863615
Energy: 1.3860947015101888
Energy: 1.2153228612771614
Energy: 1.3860947015113898
Energy: 1.3695412177863615
Energy: 1.3860947015101888
Energy: 1.4070053073008775
Energy: 1.4013840885862923
Energy: 1.2277927873534988
Energy: 1.4013840885850908
Energy: 1.4070053073008775
Energy: 1.4013840885850908
Energy: 1.2205162198138066
Energy: 1.388955191225076
Energy: 1.3478047876435373
Energy: 1.388955191225076
Energy: 1.2205162198138066
Energy: 1.388955191225076
Energy: 1.217982135053113
Energy: 1.430418907665061
Energy: 1.2179398138096886
Energy: 1.4304189076662626
Energy: 1.217982135053113
Energy: 1.4304189076662626
Energy: 1.3479607618292013
Energy: 1.3889551912238751
Energy: 1.3348378399476917
Energy: 1.388955191225076
Energy: 1.3479607618292013
Energy: 1.3889551912238751
Energy: 1.2278051453512622
Energy: 1.4014039488314136
Energy: 1.4069629953411198
Energy: 1.4014039488314136
Energy: 1.2278051453524088
Energy: 1.4014039488314136
Energy: 1.2153940027280699
Energy: 1.3857187090148007
Energy: 1.3696809765179052
Energy: 1.3857187090160021
Energy: 1.2153940027292711
Energy: 1.385718709017203
Energy: 1.216385772859205
Energy: 1.4312582440851676
Energy: 1.45704908848246
Energy: 1.4312582440851676
Energy: 1.216385772859205
Energy: 1.4312582440851676
Energy: 1.220257793911396
Energy: 1.4019651425803943
Energy: 1.4050654633622481
Energy: 1.4019651425815953
Energy: 1.220257793911396
Energy: 1.4019651425815953
Energy: 1.2271134935984243
Energy: 1.4020227654652022
Energy: 1.4053441203436474
Energy: 1.4020227654652022
Energy: 1.2271134935984243
Energy: 1.4020227654652022
Energy: 1.4407579099010148
Energy: 1.431186613460639
Energy: 1.4336009618855998
Energy: 1.43118661346184
Energy: 1.4407579099010148
Energy: 1.43118661346184
Energy: 1.2153943331965216
Energy: 1.384411080257987
Energy: 1.3663801344893869
Energy: 1.384411080257987
Energy: 1.2153943331965216
Energy: 1.384411080257987
Energy: 1.410150684719144
Energy: 1.401750447706487
Energy: 1.2199986856137917
Energy: 1.4017504477076885
Energy: 1.410150684719144
Energy: 1.4017504477076885
Energy: 1.348369636987131
Energy: 1.4021514859238697
Energy: 1.3493577615756718
Energy: 1.402151485922723
Energy: 1.348369636987131
Energy: 1.402151485922723
Energy: 1.3688194674068352
Energy: 1.4310636885325738
Energy: 1.4099778558883476
Energy: 1.4310636885325738
Energy: 1.3688194674068352
Energy: 1.4310636885325738

minimum gb energy = 1.2153228612771614 eV
minimum distance =  2.27574721909401 Angstroms
sigma value = 33


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

Energy: 1.8389659457131413
Energy: 1.5252250588115812
Energy: 1.3282950906092565
Energy: 1.5252250588108982
Energy: 1.8389659457131413
Energy: 1.5252250588108982
Energy: 1.3554773067610184
Energy: 1.4834167781517837
Energy: 1.4117445789161733
Energy: 1.4834167781511005
Energy: 1.3554773067610184
Energy: 1.4834167781511005
Energy: 1.2698888225040212
Energy: 1.5201380822126365
Energy: 1.519563118958311
Energy: 1.5201380822126365
Energy: 1.2698888225040212
Energy: 1.5201380822126365
Energy: 1.393399973830328
Energy: 1.471541296660022
Energy: 1.5265426239420836
Energy: 1.4715412966593386
Energy: 1.393399973831011
Energy: 1.4715412966593386
Energy: 1.3935489520807542
Energy: 1.4951779587713736
Energy: 1.5343995879273546
Energy: 1.4951779587720566
Energy: 1.3935489520800712
Energy: 1.4951779587720566
Energy: 1.4068806949883184
Energy: 1.4976468027193086
Energy: 1.2798090116382745
Energy: 1.4976468027186256
Energy: 1.406880694987635
Energy: 1.4976468027186256
Energy: 1.4068836296764884
Energy: 1.4975852000293248
Energy: 1.4152458540766406
Energy: 1.497585200030008
Energy: 1.4068836296758054
Energy: 1.4975852000293248
Energy: 1.3062962521181314
Energy: 1.495669405338594
Energy: 1.4668846976960177
Energy: 1.495669405338594
Energy: 1.3062962521174484
Energy: 1.495669405338594
Energy: 1.4249145891867874
Energy: 1.4719327612741402
Energy: 1.4070455318240491
Energy: 1.4719327612741402
Energy: 1.4249145891867874
Energy: 1.4719327612741402
Energy: 1.3615377977293825
Energy: 1.5202862901808767
Energy: 1.368404808188559
Energy: 1.5202862901801935
Energy: 1.3615377977293825
Energy: 1.5202862901801935
Energy: 1.3527766920034754
Energy: 1.4795679994326376
Energy: 1.4121176300248717
Energy: 1.4795679994319542
Energy: 1.3527766920041586
Energy: 1.4795679994319542
Energy: 1.5192983209576962
Energy: 1.4957773618853751
Energy: 1.3569886721201618
Energy: 1.4957773618853751
Energy: 1.5192983209583795
Energy: 1.4957773618853751
Energy: 1.5242127466291102
Energy: 1.4872356243825937
Energy: 1.375124069063622
Energy: 1.4872356243832767
Energy: 1.5242127466291102
Energy: 1.4872356243832767
Energy: 1.4356463568930742
Energy: 1.5200806088141239
Energy: 1.4153129990955828
Energy: 1.5200806088141239
Energy: 1.4356463568930742
Energy: 1.5200806088141239
Energy: 1.5200165890570914
Energy: 1.4953357688404028
Energy: 1.4506226580469301
Energy: 1.4953357688410858
Energy: 1.5200165890570914
Energy: 1.4953357688410858
Energy: 1.5201499134358447
Energy: 1.4953252254993867
Energy: 1.3569888575547058
Energy: 1.495325225500753
Energy: 1.5201499134358447
Energy: 1.495325225501436
Energy: 1.5345350315643418
Energy: 1.4949111882673232
Energy: 1.3679575481953026
Energy: 1.4949111882673232
Energy: 1.5345350315643418
Energy: 1.4949111882673232
Energy: 1.5357657427021383
Energy: 1.4815560293202015
Energy: 1.450623116269769
Energy: 1.4815560293208847
Energy: 1.5357657427021383
Energy: 1.4815560293208847
Energy: 1.2800287122678624
Energy: 1.4959317961523935
Energy: 1.4386529862473683
Energy: 1.4959317961530765
Energy: 1.2800287122685454
Energy: 1.4959317961530765
Energy: 1.4044242619026974
Energy: 1.4720768954869778
Energy: 1.4078094352886368
Energy: 1.4720768954862946
Energy: 1.4044242619040637
Energy: 1.4720768954862946
Energy: 1.51683742564165
Energy: 1.5200796177342653
Energy: 1.3130027439348462
Energy: 1.5200796177335822
Energy: 1.5168374256409667
Energy: 1.5200796177342653
Energy: 1.352881281173317
Energy: 1.4811605636499034
Energy: 1.413357743077221
Energy: 1.4811605636505867
Energy: 1.3528812811726338
Energy: 1.4811605636499034
Energy: 1.3679529720881507
Energy: 1.4958649273203122
Energy: 1.4914601473460682
Energy: 1.4958649273209956
Energy: 1.3679529720888342
Energy: 1.4958649273209956
Energy: 1.5248041571889068
Energy: 1.4818969078119382
Energy: 1.412609089094511
Energy: 1.4818969078126216
Energy: 1.5248041571889068
Energy: 1.4818969078126216
Energy: 1.411004301346331
Energy: 1.4993450129521684
Energy: 1.5194090064895833
Energy: 1.4993450129514851
Energy: 1.411004301346331
Energy: 1.4993450129514851
Energy: 1.414216156053009
Energy: 1.5205506138828402
Energy: 1.3676950506896337
Energy: 1.520550613882157
Energy: 1.414216156053692
Energy: 1.520550613882157
Energy: 1.4142327016243155
Energy: 1.5205539569678503
Energy: 1.301640875290455
Energy: 1.5205539569678503
Energy: 1.414232701624999
Energy: 1.5205539569678503
Energy: 1.4110413105980346
Energy: 1.499332334274374
Energy: 1.5194425295144958
Energy: 1.499332334274374
Energy: 1.4110413105980346
Energy: 1.499332334274374
Energy: 1.5247824834979313
Energy: 1.4818971658348155
Energy: 1.4126734254792754
Energy: 1.4818971658354987
Energy: 1.5247824834979313
Energy: 1.4818971658354987
Energy: 1.367938567873008
Energy: 1.4958620352519205
Energy: 1.4456311761244305
Energy: 1.4958620352519205
Energy: 1.3679385678723248
Energy: 1.4958620352519205
Energy: 1.3529377524215178
Energy: 1.4811605636499034
Energy: 1.4128285529312279
Energy: 1.4811605636499034
Energy: 1.3529377524215178
Energy: 1.4811605636505867
Energy: 1.5170474367223905
Energy: 1.5200805914490645
Energy: 1.3130409862093748
Energy: 1.5200805914483815
Energy: 1.5170474367230735
Energy: 1.5200805914490645
Energy: 1.4055218743028937
Energy: 1.4721648531042923
Energy: 1.4074837446666217
Energy: 1.4721648531042923
Energy: 1.4055218743028937
Energy: 1.4721648531042923
Energy: 1.2800296220754606
Energy: 1.4959219533308732
Energy: 1.4070845967272205
Energy: 1.4959219533301902
Energy: 1.2800296220754606
Energy: 1.4959219533301902
Energy: 1.535607853427843
Energy: 1.4815267794025413
Energy: 1.4295003913145437
Energy: 1.4815267794011753
Energy: 1.535607853427843
Energy: 1.4815267794011753
Energy: 1.5346937292228957
Energy: 1.4949334185486711
Energy: 1.3680771315248008
Energy: 1.4949334185493541
Energy: 1.5346937292222127
Energy: 1.4949334185493541
Energy: 1.520209510568718
Energy: 1.495182725187292
Energy: 1.325848951638485
Energy: 1.4951827251859255
Energy: 1.520209510568718
Energy: 1.495182725186609
Energy: 1.5205627537511484
Energy: 1.4955405401701087
Energy: 1.4504933404926805
Energy: 1.4955405401701087
Energy: 1.5205627537504651
Energy: 1.4955405401701087
Energy: 1.435647320646375
Energy: 1.5200755355483258
Energy: 1.4155790287171157
Energy: 1.5200755355476427
Energy: 1.4356473206470584
Energy: 1.5200755355476427
Energy: 1.5320510930207942
Energy: 1.4874912740598116
Energy: 1.3751777819625102
Energy: 1.4874912740604946
Energy: 1.532051093020111
Energy: 1.4874912740604946
Energy: 1.5192950852833025
Energy: 1.495783847929898
Energy: 1.325310511849534
Energy: 1.495783847929898
Energy: 1.5192950852839857
Energy: 1.495783847929898

minimum gb energy = 1.2698888225040212 eV
minimum distance =  2.26843897966713 Angstroms
sigma value = 51


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

Energy: 1.6114315250172973
Energy: 1.5663433467338796
Energy: 1.434835397090229
Energy: 1.5663433467370456
Energy: 1.6114315250172973
Energy: 1.5663433467370456
Energy: 1.289185119321583
Energy: 1.6050064586839206
Energy: 1.6747595656757153
Energy: 1.6050064587013322
Energy: 1.289185119321583
Energy: 1.6050064586950006
Energy: 1.2877017156583832
Energy: 1.566492557938732
Energy: 1.673668691935639
Energy: 1.5664925579371491
Energy: 1.2877017156583832
Energy: 1.5664925579371491
Energy: 1.302032542596292
Energy: 1.5070358115223181
Energy: 1.6737175342989041
Energy: 1.5070358115223181
Energy: 1.302032542596292
Energy: 1.5070358115223181
Energy: 1.3007071006815847
Energy: 1.5088184003209753
Energy: 1.67376847408837
Energy: 1.5088184003209753
Energy: 1.3007071006815847
Energy: 1.5088184003209753
Energy: 1.611889068783588
Energy: 1.5068868264885542
Energy: 1.720417258098675
Energy: 1.5068868264917203
Energy: 1.611889068783588
Energy: 1.5068868264917203
Energy: 1.612043312645191
Energy: 1.5084855799748662
Energy: 1.6736719952626025
Energy: 1.5084855799748662
Energy: 1.612043312645191
Energy: 1.5084855799748662
Energy: 1.302660287222112
Energy: 1.5069762318271331
Energy: 1.2747948933937068
Energy: 1.5069762318302988
Energy: 1.302660287222112
Energy: 1.5069762318302988
Energy: 1.6812395552715196
Energy: 1.5216898893025073
Energy: 1.3075077292473871
Energy: 1.5216898893009245
Energy: 1.6812395552715196
Energy: 1.5216898893009245
Energy: 1.2873653328798393
Energy: 1.567705107588218
Energy: 1.274880492221733
Energy: 1.5677051075898012
Energy: 1.2873653328798393
Energy: 1.5677051075898012
Energy: 1.6830022211803175
Energy: 1.5180185694711141
Energy: 1.6737388964658118
Energy: 1.5180185694695312
Energy: 1.6830022211803175
Energy: 1.5180185694695312
Energy: 1.6144539225457548
Energy: 1.5666063444743779
Energy: 1.7203810507446735
Energy: 1.5666063444743779
Energy: 1.6144539225441719
Energy: 1.5666063444743779
Energy: 1.4770692636398217
Energy: 1.5080360988551822
Energy: 1.674243694972542
Energy: 1.5080360988567647
Energy: 1.4770692636398217
Energy: 1.5080360988567647
Energy: 1.2873945015828916
Energy: 1.5665394381069773
Energy: 1.6739857921899106
Energy: 1.5665394381085602
Energy: 1.2873945015844745
Energy: 1.5665394381085602
Energy: 1.2873327913166375
Energy: 1.5675279091920078
Energy: 1.6738973370277102
Energy: 1.5675279091920078
Energy: 1.2873327913166375
Energy: 1.5675279091920078
Energy: 1.2887672653346445
Energy: 1.5177148455371856
Energy: 1.6738831822881237
Energy: 1.5177148455371856
Energy: 1.2887672653346445
Energy: 1.5177148455371856
Energy: 1.611776812702258
Energy: 1.5679885420073691
Energy: 1.7181727385570198
Energy: 1.5679885420042035
Energy: 1.611776812702258
Energy: 1.5679885420042035
Energy: 1.6116721143815669
Energy: 1.5091015310015907
Energy: 1.6736576126748388
Energy: 1.5091015310000078
Energy: 1.6116721143799841
Energy: 1.5091015310000078

minimum gb energy = 1.2747948933937068 eV
minimum distance =  2.24261214340694 Angstroms
sigma value = 19


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

Energy: 1.7348305876459924
Energy: 1.6621544255318583
Energy: 1.516032286136098
Energy: 1.6621544255309193
Energy: 1.7348305876450534
Energy: 1.6621544255318583
Energy: 1.3953896621465145
Energy: 1.652232485091467
Energy: 1.5257862154362938
Energy: 1.652232485091467
Energy: 1.3953896621465145
Energy: 1.652232485091467
Energy: 1.3375011136210915
Energy: 1.6411398254846055
Energy: 1.532466044604168
Energy: 1.6411398254846055
Energy: 1.3375011136210915
Energy: 1.6411398254846055
Energy: 1.5318515839811255
Energy: 1.6180615105264908
Energy: 1.6157310079090188
Energy: 1.6180615105264908
Energy: 1.5318515839801865
Energy: 1.6180615105264908
Energy: 1.362143739759176
Energy: 1.6406945325540232
Energy: 1.7015482910652058
Energy: 1.6406945325540232
Energy: 1.362143739758237
Energy: 1.6406945325540232
Energy: 1.76687069531271
Energy: 1.6407398589368336
Energy: 1.3620995062728203
Energy: 1.640739858935895
Energy: 1.76687069531271
Energy: 1.640739858935895
Energy: 1.615889418558427
Energy: 1.6180775798466314
Energy: 1.4049855294860543
Energy: 1.6180775798466314
Energy: 1.615889418558427
Energy: 1.6180775798466314
Energy: 1.5318136886658114
Energy: 1.6411652692807208
Energy: 1.337491854013376
Energy: 1.6411652692797818
Energy: 1.5318136886667502
Energy: 1.6411652692797818
Energy: 1.5256318896769674
Energy: 1.6522794794046463
Energy: 1.3954885947629656
Energy: 1.6522794794037072
Energy: 1.5256318896769674
Energy: 1.6522794794037072
Energy: 1.5561057416301844
Energy: 1.6621544255309193
Energy: 1.7348305876450534
Energy: 1.6621544255299805
Energy: 1.5561057416301844
Energy: 1.6621544255299805
Energy: 1.5257862154353548
Energy: 1.652232485090528
Energy: 1.3953896621465145
Energy: 1.652232485090528
Energy: 1.5257862154353548
Energy: 1.652232485090528
Energy: 1.532466044604168
Energy: 1.6411398254846055
Energy: 1.3375011136210915
Energy: 1.6411398254846055
Energy: 1.532466044604168
Energy: 1.6411398254846055
Energy: 1.6157310079090188
Energy: 1.6180615105255518
Energy: 1.5318515839801865
Energy: 1.6180615105264908
Energy: 1.6157310079090188
Energy: 1.6180615105255518
Energy: 1.632861443783626
Energy: 1.6406945325540232
Energy: 1.362143739758237
Energy: 1.6406945325540232
Energy: 1.632861443783626
Energy: 1.6406945325540232
Energy: 1.3620995062728203
Energy: 1.6407398589368336
Energy: 1.76687069531271
Energy: 1.6407398589368336
Energy: 1.3620995062718815
Energy: 1.6407398589368336
Energy: 1.4049855294860543
Energy: 1.6180775798475702
Energy: 1.6158894185593657
Energy: 1.6180775798475702
Energy: 1.4049855294860543
Energy: 1.6180775798475702
Energy: 1.337491854013376
Energy: 1.6411652692788428
Energy: 1.5318136886648723
Energy: 1.6411652692788428
Energy: 1.337491854013376
Energy: 1.6411652692788428
Energy: 1.3954885947629656
Energy: 1.6522794794046463
Energy: 1.5256318896769674
Energy: 1.6522794794046463
Energy: 1.3954885947629656
Energy: 1.6522794794046463
Energy: 1.7348305876459924
Energy: 1.6621544255309193
Energy: 1.5561057416301844
Energy: 1.6621544255318583
Energy: 1.7348305876450534
Energy: 1.6621544255309193
Energy: 1.3953896621465145
Energy: 1.652232485091467
Energy: 1.5257862154372326
Energy: 1.652232485091467
Energy: 1.3953896621465145
Energy: 1.652232485091467
Energy: 1.3375011136210915
Energy: 1.6411398254846055
Energy: 1.532466044603229
Energy: 1.6411398254846055
Energy: 1.3375011136210915
Energy: 1.6411398254846055
Energy: 1.5318515839811255
Energy: 1.6180615105264908
Energy: 1.6157310079090188
Energy: 1.6180615105264908
Energy: 1.5318515839801865
Energy: 1.6180615105264908
Energy: 1.362143739758237
Energy: 1.6406945325540232
Energy: 1.632861443784565
Energy: 1.6406945325540232
Energy: 1.362143739758237
Energy: 1.6406945325540232
Energy: 1.76687069531271
Energy: 1.640739858935895
Energy: 1.3620995062728203
Energy: 1.6407398589368336
Energy: 1.76687069531271
Energy: 1.6407398589368336
Energy: 1.615889418558427
Energy: 1.6180775798466314
Energy: 1.3614354125657593
Energy: 1.6180775798466314
Energy: 1.615889418558427
Energy: 1.6180775798466314
Energy: 1.5318136886658114
Energy: 1.6411652692797818
Energy: 1.337491854013376
Energy: 1.6411652692807208
Energy: 1.5318136886667502
Energy: 1.6411652692807208
Energy: 1.5256318896769674
Energy: 1.6522794794037072
Energy: 1.3954885947639046
Energy: 1.6522794794046463
Energy: 1.5256318896769674
Energy: 1.6522794794046463
Energy: 1.5561057416292454
Energy: 1.6621544255299805
Energy: 1.7348305876450534
Energy: 1.6621544255318583
Energy: 1.5561057416292454
Energy: 1.6621544255318583
Energy: 1.5257862154353548
Energy: 1.652232485090528
Energy: 1.3953896621465145
Energy: 1.652232485090528
Energy: 1.5257862154353548
Energy: 1.652232485090528
Energy: 1.532466044603229
Energy: 1.6411398254846055
Energy: 1.3375011136210915
Energy: 1.6411398254846055
Energy: 1.532466044603229
Energy: 1.6411398254846055

minimum gb energy = 1.337491854013376 eV
minimum distance =  2.23822093820536 Angstroms
sigma value = 27


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

Energy: 1.2957146083651598
Energy: 1.571493534460877
Energy: 1.5451457066182808
Energy: 1.5714935344599361
Energy: 1.2957146083653952
Energy: 1.5714935344597272
Energy: 1.2880062773995882
Energy: 1.4902597261205186
Energy: 1.335432546905623
Energy: 1.4902597261211983
Energy: 1.2880062773995882
Energy: 1.4902597261211983
Energy: 1.3136750122321814
Energy: 1.6735771077307426
Energy: 1.3909453084511414
Energy: 1.673577107729593
Energy: 1.3136750122317373
Energy: 1.6735771077302986
Energy: 1.2936590012173304
Energy: 1.571395841271136
Energy: 1.3124737146607866
Energy: 1.5713958412709006
Energy: 1.2936590012170952
Energy: 1.5713958412709006
Energy: 1.3371749494243528
Energy: 1.5722797678323093
Energy: 1.312858397059656
Energy: 1.5722797678327534
Energy: 1.3371749494243528
Energy: 1.5722797678329887
Energy: 1.3123681824947175
Energy: 1.5353735748629909
Energy: 1.337078432524232
Energy: 1.5353735748627555
Energy: 1.3123681824949527
Energy: 1.5353735748689756
Energy: 1.3348254552046646
Energy: 1.4912874379813568
Energy: 1.3125459786541855
Energy: 1.491287437981827
Energy: 1.3348254552044294
Energy: 1.491287437981827
Energy: 1.293127672511429
Energy: 1.5694853849816945
Energy: 1.3394850783345038
Energy: 1.569485384982374
Energy: 1.293127672511664
Energy: 1.569485384982374
Energy: 1.312538017602389
Energy: 1.5739090907302804
Energy: 1.334891194457266
Energy: 1.5739090907302804
Energy: 1.31253801760218
Energy: 1.5739090907302804
Energy: 1.3124162981725473
Energy: 1.6807566043618434
Energy: 1.312407704449172
Energy: 1.6807566043611377
Energy: 1.3124162981725473
Energy: 1.6807566043613729
Energy: 1.3337525567984947
Energy: 1.5720644497528242
Energy: 1.3125693475862992
Energy: 1.572064449752589
Energy: 1.3337525567984947
Energy: 1.572064449752589
Energy: 1.338893648913679
Energy: 1.5695392046200498
Energy: 1.293169058003584
Energy: 1.5695392046209906
Energy: 1.338893648913914
Energy: 1.5695392046209906

minimum gb energy = 1.2880062773995882 eV
minimum distance =  2.25922505393283 Angstroms
sigma value = 9


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

Energy: 1.747831592957912
Energy: 1.7057725036709874
Energy: 1.3932960024089678
Energy: 1.7057725036716336
Energy: 1.747831592957266
Energy: 1.7057725036716336
Energy: 1.5381982955159619
Energy: 1.6487573378743963
Energy: 1.4308621094536793
Energy: 1.6697286490523373
Energy: 1.5381982955146694
Energy: 1.6487573378731037
Energy: 1.418109688426949
Energy: 1.6962931356311142
Energy: 1.446917690248731
Energy: 1.696293135630468
Energy: 1.418109688426303
Energy: 1.6962931356311142
Energy: 1.3757891912853255
Energy: 1.672107545602647
Energy: 1.3450439027483914
Energy: 1.672107545602647
Energy: 1.3757891912853255
Energy: 1.672107545602647
Energy: 1.3739683477223505
Energy: 1.670526255187582
Energy: 1.345298624450878
Energy: 1.670526255187582
Energy: 1.3739683477223505
Energy: 1.670526255187582
Energy: 1.3547227487202314
Energy: 1.6425555043631488
Energy: 1.4186728909109079
Energy: 1.622748896441114
Energy: 1.3547227487202314
Energy: 1.6425555043631488
Energy: 1.5411433598538082
Energy: 1.6898821959473675
Energy: 1.4189814837009833
Energy: 1.6898821959473675
Energy: 1.5411433598538082
Energy: 1.6898821959473675
Energy: 1.5647690085189654
Energy: 1.6722849768857246
Energy: 1.4648439726000093
Energy: 1.672284976886371
Energy: 1.5647690085189654
Energy: 1.672284976886371
Energy: 1.5370710993842418
Energy: 1.6150633413396944
Energy: 1.4406772579614215
Energy: 1.6150633413396944
Energy: 1.5370710993848877
Energy: 1.6150633413390485
Energy: 1.5634701815839032
Energy: 1.702746960694375
Energy: 1.3728720438413347
Energy: 1.702746960694375
Energy: 1.5634701815839032
Energy: 1.702746960694375
Energy: 1.4805794595608064
Energy: 1.6873415270404513
Energy: 1.447218673846508
Energy: 1.6873415270417438
Energy: 1.4805794595608064
Energy: 1.6873415270410976
Energy: 1.4290878715563613
Energy: 1.6718118150426424
Energy: 1.4179527865147374
Energy: 1.6718118150426424
Energy: 1.4290878715563613
Energy: 1.6718118150426424
Energy: 1.3583753497607352
Energy: 1.5976762248320535
Energy: 1.3491855414120641
Energy: 1.5976762248320535
Energy: 1.358375349760089
Energy: 1.5976762248320535
Energy: 1.5423976341604648
Energy: 1.6980835240757648
Energy: 1.3492744065102689
Energy: 1.6980835240744723
Energy: 1.5423976341598185
Energy: 1.6980835240744723
Energy: 1.4321903101551352
Energy: 1.6831452065281136
Energy: 1.4385087386898574
Energy: 1.683145206526821
Energy: 1.4321903101551352
Energy: 1.683145206526821
Energy: 1.4657526166002426
Energy: 1.667552536073214
Energy: 1.417611869743864
Energy: 1.6675525360738601
Energy: 1.4657526166002426
Energy: 1.6675525360738601
Energy: 1.420046858715602
Energy: 1.7019834435141246
Energy: 1.436168107410205
Energy: 1.7019834435141246
Energy: 1.420046858714956
Energy: 1.7019834435141246
Energy: 1.4174718846461343
Energy: 1.6010708080271825
Energy: 1.4419798820287628
Energy: 1.6010708080265361
Energy: 1.417471884645488
Energy: 1.60107080802589
Energy: 1.4192791811711636
Energy: 1.7067354228817602
Energy: 1.3585913020112457
Energy: 1.7067354228824065
Energy: 1.4192791811743948
Energy: 1.7067354228824065
Energy: 1.352883392283672
Energy: 1.7108150901898163
Energy: 1.352890383983036
Energy: 1.6550109396490502
Energy: 1.3528833922830257
Energy: 1.6550109396496964
Energy: 1.3585763052359485
Energy: 1.7067739595017106
Energy: 1.4190924319240716
Energy: 1.7067739595017106
Energy: 1.3585763052365947
Energy: 1.7067739595010645
Energy: 1.4420987714517108
Energy: 1.6011484839891288
Energy: 1.417547624752977
Energy: 1.6011484839891288
Energy: 1.4420987714530034
Energy: 1.6011484839897752
Energy: 1.436197328923688
Energy: 1.7022205775906374
Energy: 1.420433962714925
Energy: 1.7022205775906374
Energy: 1.4361973289243344
Energy: 1.7022205775906374
Energy: 1.4178222999466878
Energy: 1.6729717113382163
Energy: 1.4657735147966537
Energy: 1.67297171133757
Energy: 1.4178222999466878
Energy: 1.67297171133757
Energy: 1.4383164376809112
Energy: 1.683462079639736
Energy: 1.4321656025563394
Energy: 1.6834620796410285
Energy: 1.4383164376802655
Energy: 1.6834620796410285
Energy: 1.3505036852698928
Energy: 1.6978744594530542
Energy: 1.5426123969378036
Energy: 1.6978744594543465
Energy: 1.3505036852698928
Energy: 1.6978744594549926
Energy: 1.3492703844432905
Energy: 1.5976905052367223
Energy: 1.3528701063373418
Energy: 1.5976905052360761
Energy: 1.3492703844439364
Energy: 1.5976905052360761
Energy: 1.4179545716087525
Energy: 1.6717606742936308
Energy: 1.4290965839258905
Energy: 1.6717606742929847
Energy: 1.4179545716087525
Energy: 1.6717606742929847
Energy: 1.4474567240483054
Energy: 1.6873181855901351
Energy: 1.4663674200925263
Energy: 1.6873181855901351
Energy: 1.4474567240476592
Energy: 1.6873181855901351
Energy: 1.3727826781413155
Energy: 1.7026576794481139
Energy: 1.5634696533432373
Energy: 1.7026576794494064
Energy: 1.3727826781413155
Energy: 1.7026576794494064
Energy: 1.4476257175484852
Energy: 1.6150633413396944
Energy: 1.5367097842256146
Energy: 1.6150633413396944
Energy: 1.4476257175478393
Energy: 1.6150633413396944
Energy: 1.464813383309699
Energy: 1.672313155887206
Energy: 1.5645730129349822
Energy: 1.672313155887206
Energy: 1.4648133833090529
Energy: 1.672313155887206
Energy: 1.4190155907023898
Energy: 1.689957759404721
Energy: 1.7104928218267412
Energy: 1.6899577594034287
Energy: 1.4190155907036823
Energy: 1.689957759404075
Energy: 1.4188716786342261
Energy: 1.5967311562036406
Energy: 1.3547160072287503
Energy: 1.5967311562036406
Energy: 1.4188716786335798
Energy: 1.5967311562036406
Energy: 1.3824729364570125
Energy: 1.6706280139856162
Energy: 1.3738058778796258
Energy: 1.6706280139856162
Energy: 1.3824729364570125
Energy: 1.6706280139856162
Energy: 1.3450066277900232
Energy: 1.6720577318097694
Energy: 1.3757889027047487
Energy: 1.6720577318110614
Energy: 1.345006627789377
Energy: 1.6720577318110614
Energy: 1.4469712737710776
Energy: 1.6998135465063084
Energy: 1.4181469679312793
Energy: 1.6998135465063084
Energy: 1.4469712737710776
Energy: 1.6998135465063084
Energy: 1.4407198519819728
Energy: 1.6810345694368272
Energy: 1.5399089685273368
Energy: 1.681034569436181
Energy: 1.4407198519819728
Energy: 1.681034569436181
Energy: 1.4721771155805852
Energy: 1.7057725036722797
Energy: 1.747831592957266
Energy: 1.7057725036716336
Energy: 1.4721771155799392
Energy: 1.7057725036722797
Energy: 1.4308621094549718
Energy: 1.6487573378743963
Energy: 1.5381982955107922
Energy: 1.6487573378750424
Energy: 1.430862109455618
Energy: 1.6487573378750424
Energy: 1.446917690248731
Energy: 1.6962931356324067
Energy: 1.4181096884282411
Energy: 1.6962931356311142
Energy: 1.446917690248731
Energy: 1.6962931356311142
Energy: 1.3450439027477452
Energy: 1.6721075456039396
Energy: 1.3757891912846794
Energy: 1.6721075456032932
Energy: 1.3450439027477452
Energy: 1.6721075456039396
Energy: 1.3452986244534626
Energy: 1.6705262551882283
Energy: 1.3739683477217042
Energy: 1.6705262551888744
Energy: 1.3452986244528164
Energy: 1.6705262551888744

minimum gb energy = 1.345006627789377 eV
minimum distance =  2.21634535559515 Angstroms
sigma value = 57


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

Energy: 1.488465335845434
Energy: 1.5988523952301326
Energy: 1.363842158802655
Energy: 1.5988523952301326
Energy: 1.488465335845434
Energy: 1.5988523952301326
Energy: 1.2382814429341364
Energy: 1.61108664199041
Energy: 1.2640527585070678
Energy: 1.611086641988939
Energy: 1.2382814429341364
Energy: 1.611086641988939
Energy: 1.232608764014857
Energy: 1.5655837573126097
Energy: 1.3530604815474192
Energy: 1.5655837573126097
Energy: 1.232608764014857
Energy: 1.5655837573126097
Energy: 1.2642085590105288
Energy: 1.565750606336107
Energy: 1.327398349076443
Energy: 1.5657506063346363
Energy: 1.2642085590105288
Energy: 1.5657506063346363
Energy: 1.2645388582047403
Energy: 1.5983451096647003
Energy: 1.2635314457131523
Energy: 1.5983451096647003
Energy: 1.2645388582047403
Energy: 1.5983451096647003
Energy: 1.2634319358094994
Energy: 1.5653191191237443
Energy: 1.231721779583578
Energy: 1.5653191191237443
Energy: 1.2634319358094994
Energy: 1.5653191191237443
Energy: 1.2634312447855365
Energy: 1.5652941001700427
Energy: 1.2314181862575266
Energy: 1.5652941001700427
Energy: 1.2634312447855365
Energy: 1.5652941001700427
Energy: 1.2645427791906607
Energy: 1.5983736789414176
Energy: 1.2649268956986666
Energy: 1.5983736789414176
Energy: 1.2645427791906607
Energy: 1.5983736789414176
Energy: 1.2640340951932931
Energy: 1.5655138593830653
Energy: 1.2640215892467632
Energy: 1.5655138593830653
Energy: 1.2640340951932931
Energy: 1.5655138593830653
Energy: 1.2326390823765025
Energy: 1.5655831096210853
Energy: 1.352764818107896
Energy: 1.5655831096196142
Energy: 1.2326390823765025
Energy: 1.5655831096196142
Energy: 1.238186629415941
Energy: 1.6110866419918808
Energy: 1.2650099003079571
Energy: 1.6110866419918808
Energy: 1.238186629415941
Energy: 1.6110866419918808
Energy: 1.488465335845434
Energy: 1.5988523952286613
Energy: 1.3138562000326037
Energy: 1.5988523952301326
Energy: 1.488465335845434
Energy: 1.5988523952301326
Energy: 1.2382814429341364
Energy: 1.611086641988939
Energy: 1.2640527585070678
Energy: 1.61108664199041
Energy: 1.2382814429356073
Energy: 1.611086641988939
Energy: 1.232608764014857
Energy: 1.5655837573126097
Energy: 1.353060481557716
Energy: 1.5655837573126097
Energy: 1.232608764014857
Energy: 1.5655837573126097
Energy: 1.2642085590105288
Energy: 1.565750606336107
Energy: 1.2648740734400101
Energy: 1.565750606336107
Energy: 1.2642085590105288
Energy: 1.565750606336107
Energy: 1.2645388582047403
Energy: 1.5983451096661712
Energy: 1.2635314457131523
Energy: 1.5983451096647003
Energy: 1.2645388582047403
Energy: 1.5983451096661712
Energy: 1.2634319358094994
Energy: 1.5653191191237443
Energy: 1.231721779583578
Energy: 1.5653191191237443
Energy: 1.2634319358094994
Energy: 1.5653191191237443
Energy: 1.2634312447855365
Energy: 1.5652941001700427
Energy: 1.2314181862575266
Energy: 1.5652941001700427
Energy: 1.2634312447855365
Energy: 1.5652941001700427
Energy: 1.2645427791906607
Energy: 1.5983736789414176
Energy: 1.2649268956986666
Energy: 1.5983736789414176
Energy: 1.2645427791906607
Energy: 1.5983736789414176

minimum gb energy = 1.2314181862575266 eV
minimum distance =  2.21869725989244 Angstroms
sigma value = 11


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

Energy: 1.3614562544617823
Energy: 1.4921616574642846
Energy: 1.2665166137943855
Energy: 1.4921616574642846
Energy: 1.3614562544617823
Energy: 1.4921616574642846
Energy: 1.550002831931304
Energy: 1.3531955418710515
Energy: 1.1466321513213045
Energy: 1.3531955418732065
Energy: 1.5500028319334591
Energy: 1.3531955418721293
Energy: 1.3407021394273353
Energy: 1.4880850667467982
Energy: 1.1952232173618316
Energy: 1.4880850667414105
Energy: 1.3407021394273353
Energy: 1.488085066742488
Energy: 1.4265892513252199
Energy: 1.4618929894871735
Energy: 1.1813759506517314
Energy: 1.4618929894904062
Energy: 1.426589251326297
Energy: 1.4618929894904062
Energy: 1.1917544833808673
Energy: 1.5186104441769772
Energy: 1.1829489744640103
Energy: 1.5186104441737447
Energy: 1.1917544833808673
Energy: 1.5186104441726669
Energy: 1.267835182913474
Energy: 1.500879751816352
Energy: 1.257855486419679
Energy: 1.5008797518185069
Energy: 1.267835182914551
Energy: 1.5008797518185069
Energy: 1.205248282897927
Energy: 1.4379522075238023
Energy: 1.2585708018165107
Energy: 1.43795220752488
Energy: 1.205248282897927
Energy: 1.4379522075259574
Energy: 1.4776814985081774
Energy: 1.5197664758025213
Energy: 1.1596516900951352
Energy: 1.5197664758025213
Energy: 1.4776814985081774
Energy: 1.5197664758025213
Energy: 1.4758971428307524
Energy: 1.516146573817629
Energy: 1.4623003165196364
Energy: 1.516146573817629
Energy: 1.4758971428307524
Energy: 1.516146573817629
Energy: 1.2004304584054513
Energy: 1.4359527436703994
Energy: 1.2579724904025869
Energy: 1.4359527436736321
Energy: 1.2004304584043737
Energy: 1.4359527436736321
Energy: 1.2696612025158618
Energy: 1.5007295685727746
Energy: 1.2584918486019199
Energy: 1.5007295685727746
Energy: 1.2696612025158618
Energy: 1.5007295685727746
Energy: 1.1895571901223583
Energy: 1.519260043692237
Energy: 1.1818040923054702
Energy: 1.5192600436890535
Energy: 1.1895571901223583
Energy: 1.5192600436890535
Energy: 1.5656684188546746
Energy: 1.4408433029922214
Energy: 1.2699743625852724
Energy: 1.4408433029922214
Energy: 1.5656684188557524
Energy: 1.4408433029911438
Energy: 1.2574449032188082
Energy: 1.4879475039036691
Energy: 1.192794928392385
Energy: 1.4879475039036691
Energy: 1.2574449032188082
Energy: 1.4879475039036691
Energy: 1.5502644818440006
Energy: 1.35306722850881
Energy: 1.1547339746635334
Energy: 1.3530672285098873
Energy: 1.5502644818440006
Energy: 1.3530672285066545
Energy: 1.280199731859534
Energy: 1.4855749243334166
Energy: 1.2780313063759712
Energy: 1.4855749243323393
Energy: 1.2801997318606118
Energy: 1.4855749243334166
Energy: 1.5597927075791715
Energy: 1.4201305233954953
Energy: 1.1928613398746233
Energy: 1.4201305233944177
Energy: 1.5597927075791715
Energy: 1.4201305233933401
Energy: 1.2574128563249984
Energy: 1.4884860616049038
Energy: 1.254082188543139
Energy: 1.4884860616049038
Energy: 1.2574128563249984
Energy: 1.4884860616059814
Energy: 1.426172087521452
Energy: 1.4634996993307026
Energy: 1.1818925600404444
Energy: 1.46349969933609
Energy: 1.426172087523607
Energy: 1.46349969933609
Energy: 1.1893442843089572
Energy: 1.5245057862279479
Energy: 1.2698521411457078
Energy: 1.5245057862279479
Energy: 1.1893442843068023
Energy: 1.5245057862279479
Energy: 1.437971032257631
Energy: 1.499493029902369
Energy: 1.2577176334341562
Energy: 1.4994930299034466
Energy: 1.4379710322587087
Energy: 1.4994930299034466
Energy: 1.2008120408968508
Energy: 1.4408149898304734
Energy: 1.258495137264612
Energy: 1.4408149898315508
Energy: 1.2008120408968508
Energy: 1.4408149898315508
Energy: 1.4799632195308194
Energy: 1.5166063136458605
Energy: 1.159848648816754
Energy: 1.516606313644783
Energy: 1.4799632195308194
Energy: 1.5166063136437054
Energy: 1.1472532244329243
Energy: 1.5298132154803812
Energy: 1.5508354243342775
Energy: 1.5298132154825363
Energy: 1.1472532244329243
Energy: 1.5298132154825363
Energy: 1.1916544320327174
Energy: 1.4334025405699615
Energy: 1.258047633511381
Energy: 1.4334025405656516
Energy: 1.191654432033795
Energy: 1.4334025405656516
Energy: 1.2702171194191538
Energy: 1.5011033062500125
Energy: 1.258577309839912
Energy: 1.50110330624678
Energy: 1.2702171194191538
Energy: 1.50110330624678

minimum gb energy = 1.1466321513213045 eV
minimum distance =  2.2173788970698 Angstroms
sigma value = 41


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

Energy: 1.557233810302275
Energy: 1.4404407061890256
Energy: 1.0962050575060234
Energy: 1.4404407061898747
Energy: 1.5572338103014254
Energy: 1.4404407061898747
Energy: 1.7721862564684112
Energy: 1.3134472822332623
Energy: 1.0527312432924802
Energy: 1.3134472822341117
Energy: 1.7721862564684112
Energy: 1.3134472822341117
Energy: 1.1170059099745564
Energy: 1.3841959536837691
Energy: 1.0945950929652317
Energy: 1.38419595368292
Energy: 1.1170059099737073
Energy: 1.38419595368292
Energy: 1.5802114176932236
Energy: 1.283368381232279
Energy: 1.0526338252202811
Energy: 1.283368381233128
Energy: 1.5802114176932236
Energy: 1.283368381233128
Energy: 1.111658295070061
Energy: 1.292287662411724
Energy: 1.0768306109776395
Energy: 1.292287662411724
Energy: 1.111658295069212
Energy: 1.292287662411724
Energy: 1.3902920742230127
Energy: 1.3615902300021023
Energy: 1.0525600046201538
Energy: 1.3615902300021023
Energy: 1.3902920742230127
Energy: 1.3615902300021023
Energy: 1.0549769253580175
Energy: 1.3841213433082027
Energy: 1.0549368465083488
Energy: 1.3841213433082027
Energy: 1.0549769253580175
Energy: 1.3841213433082027
Energy: 1.4427423919365752
Energy: 1.3738408980321353
Energy: 1.06273656555127
Energy: 1.3738408980321353
Energy: 1.4427423919365752
Energy: 1.3738408980321353
Energy: 1.0802688836291476
Energy: 1.2918988797174547
Energy: 1.3652006814968276
Energy: 1.2918988797174547
Energy: 1.0802688836282983
Energy: 1.2918988797174547
Energy: 1.3994269060178615
Energy: 1.373546793955513
Energy: 1.3752124685671068
Energy: 1.3735467939563621
Energy: 1.3994269060170121
Energy: 1.3735467939563621
Energy: 1.3979888228898671
Energy: 1.37354546848961
Energy: 1.3752536964340762
Energy: 1.3735454684887607
Energy: 1.3979888228898671
Energy: 1.3735454684887607
Energy: 1.076061158325408
Energy: 1.373326530272092
Energy: 1.0627499919093861
Energy: 1.398437673675685
Energy: 1.076061158325408
Energy: 1.3733265302729412
Energy: 1.0798930175890902
Energy: 1.3622521223122164
Energy: 1.2914928053371986
Energy: 1.3622521223113668
Energy: 1.0798930175890902
Energy: 1.3622521223113668
Energy: 1.0530417693167522
Energy: 1.3734204098264646
Energy: 1.0524502671474656
Energy: 1.373420409827314
Energy: 1.0530417693167522
Energy: 1.373420409827314
Energy: 1.387320852380699
Energy: 1.3622266039533018
Energy: 1.054829885225561
Energy: 1.3622266039533018
Energy: 1.387320852380699
Energy: 1.3622266039533018
Energy: 1.0529050846908588
Energy: 1.3732759351889257
Energy: 1.052633820800052
Energy: 1.3988337549911318
Energy: 1.0529050846908588
Energy: 1.373275935189775
Energy: 1.3653257651202555
Energy: 1.3837708700198734
Energy: 1.0827661542038427
Energy: 1.3837708700198734
Energy: 1.3653257651202555
Energy: 1.3837708700198734
Energy: 1.063298439636179
Energy: 1.3732298114288695
Energy: 1.07512656870533
Energy: 1.3732298114288695
Energy: 1.063298439636179
Energy: 1.3732298114288695
Energy: 1.7711215600975287
Energy: 1.314915256124893
Energy: 1.0544678600244275
Energy: 1.314915256124893
Energy: 1.7711215600975287
Energy: 1.314915256124893
Energy: 1.3766983402196802
Energy: 1.3729447685654366
Energy: 1.3976220426480543
Energy: 1.3990493709215637
Energy: 1.3766983402188695
Energy: 1.3729447685654366
Energy: 1.7649233699590148
Energy: 1.3125348935509586
Energy: 1.0779279383985794
Energy: 1.3125348935518084
Energy: 1.7649233699590148
Energy: 1.3125348935518084
Energy: 1.0631386078741296
Energy: 1.3736464893482745
Energy: 1.0762955801071867
Energy: 1.3736464893482745
Energy: 1.0631386078741296
Energy: 1.3736464893482745
Energy: 1.3880296337303886
Energy: 1.2835044481798592
Energy: 1.05479038564902
Energy: 1.2835044481798592
Energy: 1.3880296337295392
Energy: 1.2835044481798592
Energy: 1.0528077771729092
Energy: 1.3617566085625636
Energy: 1.2346590653326024
Energy: 1.3273323986615297
Energy: 1.0528077771729092
Energy: 1.3617566085625636
Energy: 1.233710765642784
Energy: 1.3611002827698957
Energy: 1.0525775825851742
Energy: 1.3611002827690464
Energy: 1.233710765642784
Energy: 1.3611002827690464
Energy: 1.0529878015395289
Energy: 1.283910017268333
Energy: 1.2115807758112789
Energy: 1.283910017268333
Energy: 1.0529878015395289
Energy: 1.3103396799343912
Energy: 1.4461641996851171
Energy: 1.3735120169253723
Energy: 1.0629053310986214
Energy: 1.3735120169245227
Energy: 1.4461641996851171
Energy: 1.3735120169245227
Energy: 1.076572972021873
Energy: 1.3747589967654672
Energy: 1.3652375729287984
Energy: 1.3607241601987063
Energy: 1.0765729720210238
Energy: 1.3747589967663165
Energy: 1.3978379149733084
Energy: 1.372945856577262
Energy: 1.3751677220424001
Energy: 1.3729458565781112
Energy: 1.3978379149733084
Energy: 1.372945856577262
Energy: 1.0529025699365244
Energy: 1.0757016006015028
Energy: 1.3760941547917074
Energy: 1.0757016006006537
Energy: 1.0529025699365244
Energy: 1.3093696916916076
Energy: 1.0771702456055967
Energy: 1.372969401982717
Energy: 1.06264711864394
Energy: 1.372969401983566
Energy: 1.0771702456055967
Energy: 1.372969401983566
Energy: 1.076393490418786
Energy: 1.361420807782971
Energy: 1.3652157685676707
Energy: 1.3614208077821217
Energy: 1.076393490418786
Energy: 1.3614208077821217
Energy: 1.0547283331764556
Energy: 1.373001731131709
Energy: 1.0524948716457125
Energy: 1.3730017311325584
Energy: 1.0547283331764556
Energy: 1.3730017311325584

minimum gb energy = 1.0524502671474656 eV
minimum distance =  2.26199873303922 Angstroms
sigma value = 33


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

Energy: 1.3044743894834336
Energy: 1.2162761230363561
Energy: 1.1907745917737447
Energy: 1.216276123034568
Energy: 1.3044743894852218
Energy: 1.216276123034568
Energy: 1.8690753667278588
Energy: 0.9643744112468225
Energy: 0.9330202296631908
Energy: 0.9643744112468225
Energy: 1.869075366728455
Energy: 0.9643744112468225
Energy: 1.2816696654305801
Energy: 1.2142345361014248
Energy: 1.0647761686124249
Energy: 1.2142345361014248
Energy: 1.2816696654305801
Energy: 1.2142345361014248
Energy: 1.719576412122803
Energy: 0.9417791975287912
Energy: 0.9337134302372034
Energy: 0.9417791975293873
Energy: 1.719576412122803
Energy: 0.9417791975281953
Energy: 0.9716922207006209
Energy: 1.1980903281591748
Energy: 0.9435979513511373
Energy: 1.1980903281597708
Energy: 0.9716922207006209
Energy: 1.1980903281597708
Energy: 1.4226441411709156
Energy: 1.1627748709479508
Energy: 0.9336697789404658
Energy: 1.1627748709479508
Energy: 1.4226441411709156
Energy: 1.1627748709479508
Energy: 0.9587550824583451
Energy: 1.1748498624816128
Energy: 0.9300841609883043
Energy: 1.1748498624816128
Energy: 0.958755082457749
Energy: 1.174849862482209
Energy: 1.2887430030980975
Energy: 1.165962541278527
Energy: 0.9353112790933727
Energy: 1.1659625412791232
Energy: 1.2887430030980975
Energy: 1.1659625412791232
Energy: 0.9416398961783752
Energy: 1.1980159410147075
Energy: 1.1455591116916546
Energy: 1.1980159410147075
Energy: 0.9416398961783752
Energy: 1.1980159410141118
Energy: 1.1559381902444956
Energy: 1.1924627975675248
Energy: 1.1479576462693586
Energy: 1.1924627975669286
Energy: 1.1559381902450918
Energy: 1.1924627975669286
Energy: 0.9410076176116684
Energy: 1.1749622177621877
Energy: 1.1471946309231804
Energy: 1.1749622177627836
Energy: 0.9410076176110724
Energy: 1.1749622177633798
Energy: 1.462993314420961
Energy: 1.2082079636798133
Energy: 1.1610533728020538
Energy: 1.208207963680355
Energy: 1.4629933144215572
Energy: 1.208207963680355
Energy: 1.1524018131811151
Energy: 1.18866596916983
Energy: 1.4150466064118774
Energy: 1.1886659691686379
Energy: 1.1524018131805192
Energy: 1.1886659691686379
Energy: 1.1668718151136317
Energy: 1.2084406539943406
Energy: 1.4209017363585377
Energy: 1.208440653993745
Energy: 1.1668718151142277
Energy: 1.2084406539943406
Energy: 1.1633535764250422
Energy: 1.1701470290860772
Energy: 1.4209430983255122
Energy: 1.1701470290848852
Energy: 1.1633535764244463
Energy: 1.1701470290848852
Energy: 1.1563201153628315
Energy: 1.2084690884491993
Energy: 1.160947996535693
Energy: 1.2084690884486031
Energy: 1.1563201153622356
Energy: 1.2084690884491993
Energy: 1.1524098311012358
Energy: 1.189262460153341
Energy: 1.415151539412445
Energy: 1.189262460153937
Energy: 1.152409831101832
Energy: 1.189262460153937
Energy: 0.9300281098102718
Energy: 1.2082875197863383
Energy: 1.1478689989395365
Energy: 1.2082875197863383
Energy: 0.9300281098102718
Energy: 1.2082875197869343
Energy: 1.1543537179514929
Energy: 1.1867390413625902
Energy: 1.1469494368164102
Energy: 1.1867390413613983
Energy: 1.1543537179514929
Energy: 1.1867390413613983
Energy: 0.9324654297773701
Energy: 1.2085511071319002
Energy: 0.9353893787499381
Energy: 1.2085511071324964
Energy: 0.9324654297773701
Energy: 1.2085511071319002
Energy: 1.1449145121093578
Energy: 1.185912627701418
Energy: 1.1448078718582024
Energy: 1.185912627700822
Energy: 1.1449145121093578
Energy: 1.185912627700822
Energy: 0.9311189517769012
Energy: 1.208285967256814
Energy: 0.9332574034227403
Energy: 1.2082859672580062
Energy: 0.9311189517769012
Energy: 1.2082859672580062
Energy: 1.4214696939799916
Energy: 1.19499055015832
Energy: 0.9298398335645789
Energy: 1.194990550157724
Energy: 1.4214696939799916
Energy: 1.19499055015832
Energy: 0.9446151645914312
Energy: 1.2087625488499145
Energy: 0.9335561119785479
Energy: 1.2087625488505105
Energy: 0.9446151645902392
Energy: 1.2087625488505105
Energy: 1.4154649023602668
Energy: 1.1872411836483647
Energy: 1.1564770004742173
Energy: 1.1872411836501529
Energy: 1.4154649023596708
Energy: 1.1872411836501529
Energy: 1.1617355236025115
Energy: 1.2081483486022226
Energy: 0.9441689121480162
Energy: 1.208148348602819
Energy: 1.1617355236019153
Energy: 1.208148348602819
Energy: 1.8714424732570483
Energy: 1.062569793692507
Energy: 0.9296755001625856
Energy: 1.0625697936913145
Energy: 1.8714424732576442
Energy: 1.0625697936936989
Energy: 1.188838129936522
Energy: 1.2087808126944308
Energy: 1.1654030922340963
Energy: 1.2087808126956228
Energy: 1.1888381299371182
Energy: 1.2087808126950268
Energy: 1.5672246581308285
Energy: 1.1810961683310266
Energy: 1.156176983553664
Energy: 1.1810961683310266
Energy: 1.5672246581296365
Energy: 1.1810961683304304
Energy: 1.1626103956487563
Energy: 1.2077672461989475
Energy: 1.181411332191546
Energy: 1.2077672461977553
Energy: 1.1626103956475642
Energy: 1.2077672461977553
Energy: 1.578500403712613
Energy: 0.9409224573626395
Energy: 0.929808003608824
Energy: 0.9409224573620435
Energy: 1.578500403712613
Energy: 0.9409224573632357
Energy: 0.9446645172977518
Energy: 1.1919002263574712
Energy: 1.053642971740875
Energy: 1.1919002263580671
Energy: 0.944664517300732
Energy: 1.1919002263580671
Energy: 1.2871487391548937
Energy: 1.1629766690583883
Energy: 0.932040968017469
Energy: 1.162976669058984
Energy: 1.2871487391548937
Energy: 1.162976669058984
Energy: 0.9312656786793823
Energy: 1.1658743123609068
Energy: 1.3023431943255004
Energy: 1.1658743123609068
Energy: 0.9312656786805743
Energy: 1.1658743123609068
Energy: 1.3023682262167449
Energy: 1.1659709772938143
Energy: 0.9311873486857282
Energy: 1.1659709772956024
Energy: 1.3023682262173408
Energy: 1.1659709772956024
Energy: 0.9321311628401754
Energy: 1.1629453878200111
Energy: 1.287990853867886
Energy: 1.162945387819415
Energy: 0.9321311628401754
Energy: 1.162945387819415
Energy: 1.0536541366675316
Energy: 1.1918995986942498
Energy: 0.9444711088828344
Energy: 1.191899598695442
Energy: 1.0536541366675316
Energy: 1.191899598695442
Energy: 0.9300220768306278
Energy: 0.9410150290024277
Energy: 1.5783326775592224
Energy: 0.9410150290036198
Energy: 0.9300220768312237
Energy: 0.9410150290036198
Energy: 1.1814113321969102
Energy: 1.2077679064667883
Energy: 1.162035828175371
Energy: 1.2077679064661921
Energy: 1.1814113321969102
Energy: 1.2077679064661921
Energy: 1.046630506575968
Energy: 1.1811009908395964
Energy: 1.5672369860314646
Energy: 1.1811009908401924
Energy: 1.046630506575372
Energy: 1.1811009908390004
Energy: 1.165812071115483
Energy: 1.2088005591950055
Energy: 1.1886392399396981
Energy: 1.2088005591950055
Energy: 1.165812071115483
Energy: 1.2088005591950055
Energy: 0.9296825625830818
Energy: 1.0625200898683629
Energy: 1.8712081147326227
Energy: 1.0625200898683629
Energy: 0.9296825625830818
Energy: 1.0625200898683629
Energy: 0.9441907950273996
Energy: 1.2081700485169868
Energy: 1.1623636833900077
Energy: 1.208170048516391
Energy: 0.9441907950273996
Energy: 1.2081700485169868
Energy: 1.0460937871723281
Energy: 1.1873221489480101
Energy: 1.415450492404226
Energy: 1.1873221489480101
Energy: 1.0460937871729241
Energy: 1.1873221489480101
Energy: 0.9339108477637362
Energy: 1.2085106534260261
Energy: 0.9447163521488718
Energy: 1.2085106534260261
Energy: 0.9339108477637362
Energy: 1.2085106534260261
Energy: 0.9298370064765845
Energy: 1.194990550157128
Energy: 1.4214056735006668
Energy: 1.194990550155936
Energy: 0.9298370064765845
Energy: 1.194990550155936
Energy: 0.9332549514095656
Energy: 1.2082989167449842
Energy: 0.9310899108169017
Energy: 1.2082989167449842
Energy: 0.9332549514089695
Energy: 1.2082989167449842

minimum gb energy = 0.9296755001625856 eV
minimum distance =  2.27090331971605 Angstroms
sigma value = 67


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

Energy: 0.3200898198978112
Energy: 0.29054547162840727
Energy: 1.845567074052037
Energy: 0.29054547162840727
Energy: 0.3200898198978112
Energy: 0.29054547162840727
Energy: 0.27512248522253735
Energy: 0.7531808961315873
Energy: 0.6556856058074155
Energy: 0.7531808961303651
Energy: 0.27512248522253735
Energy: 0.7531808961303651
Energy: 0.3200898198978112
Energy: 0.29054547162840727
Energy: 1.6148902772152336
Energy: 0.2905454716288147
Energy: 0.3200898198978112
Energy: 0.2905454716288147
Energy: 0.27512248522176785
Energy: 0.7531808961315873
Energy: 0.6556854414235225
Energy: 0.753180896130003
Energy: 0.27512248522253735
Energy: 0.753180896130003
Energy: 0.3200898198978112
Energy: 0.29054547162840727
Energy: 1.614890277703028
Energy: 0.2905454716288147
Energy: 0.3200898198978112
Energy: 0.2905454716288147
Energy: 0.2751224852229448
Energy: 0.7531808961315873
Energy: 0.6556846582620081
Energy: 0.7531808961303651
Energy: 0.27512248522253735
Energy: 0.7531808961303651
Energy: 0.3200898198978112
Energy: 0.29054547162840727
Energy: 1.6787837699292527
Energy: 0.2905454716288147
Energy: 0.3200898198978112
Energy: 0.2905454716288147

minimum gb energy = 0.27512248522176785 eV
minimum distance =  2.42089821570557 Angstroms
sigma value = 3


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

Energy: 1.5324636504034705
Energy: 1.2066955284015806
Energy: 0.9426468102279582
Energy: 1.2066955284015806
Energy: 1.5324636504018443
Energy: 1.2066955284021226
Energy: 1.7187230958703004
Energy: 0.915747297610729
Energy: 0.8999888104540341
Energy: 0.9157472976096449
Energy: 1.7187230958697584
Energy: 0.915747297610187
Energy: 1.3892546822843255
Energy: 1.1868856318596097
Energy: 1.1779740557768414
Energy: 1.1868856318633552
Energy: 1.3892546822837837
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Energy: 1.2295769237944045
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Energy: 0.9034354463987412
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Energy: 0.9034354464036197
Energy: 0.9161523662111835
Energy: 0.9034354464009094
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Energy: 1.1775656582604312
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Energy: 1.1322699313725109
Energy: 1.5550202761175904
Energy: 1.1322699313752211
Energy: 0.970526915321617
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Energy: 0.8968865982586041
Energy: 1.1806872490718145
Energy: 1.4417659103757257
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Energy: 0.8968865982580622
Energy: 1.180687249075609
Energy: 0.9131967511858785
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Energy: 1.614974353853601
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Energy: 1.476226387229601
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Energy: 1.0274667831141286
Energy: 1.1690434361882804
Energy: 0.966607889594717
Energy: 1.1771355743150616
Energy: 1.2298937615624903
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Energy: 0.9666078895952591
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Energy: 1.2035122535306768
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Energy: 1.2245772780475357
Energy: 1.1729479322535281
Energy: 1.4753350792057258
Energy: 1.1713532511835048
Energy: 0.9572993708367858
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Energy: 1.475335079205184
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Energy: 1.4857152083012912
Energy: 1.1804906271100073
Energy: 0.9050677203153265
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Energy: 1.483073567749463
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Energy: 1.0906527165057773
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Energy: 1.483073567749463
Energy: 1.1665488998133284
Energy: 1.5043236536758016
Energy: 1.1753226014445457
Energy: 0.9076314721736813
Energy: 1.1753226014472562
Energy: 1.5043236536752596
Energy: 1.1753226014467142
Energy: 1.751445768528167
Energy: 1.173791817923586
Energy: 0.9046791264212101
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Energy: 1.751445768528167
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Energy: 1.485697954952157
Energy: 1.1774038551484967
Energy: 1.0872843888941732
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Energy: 1.1531873490202726
Energy: 0.9038094701037204
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Energy: 1.4833192527149188
Energy: 1.1531873490186464
Energy: 1.2241900060495303
Energy: 1.168110103840708
Energy: 0.9549624088897828
Energy: 1.1681101038455868
Energy: 1.2241900060495303
Energy: 1.1681101038455868
Energy: 1.475566161709583
Energy: 1.1742200788120052
Energy: 0.9710174388582451
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Energy: 1.475566161709583
Energy: 1.1742200788049584
Energy: 1.2079294735549124
Energy: 1.1545919470160622
Energy: 1.2163015057361501
Energy: 1.1545919470171462
Energy: 1.2079294735538284
Energy: 1.1545919470171462
Energy: 1.208135648743616
Energy: 1.1528893722187408
Energy: 0.9780032157852562
Energy: 1.1528893722230777
Energy: 1.2081356487430737
Energy: 1.1528893722230777
Energy: 0.9744149055292874
Energy: 1.1579126499823225
Energy: 1.2106858648120211
Energy: 1.1579126499834067
Energy: 0.9744149055282032
Energy: 1.1579126499839487
Energy: 1.2034316983909767
Energy: 1.1745193853687048
Energy: 1.219124035270356
Energy: 1.1745193853681628
Energy: 1.2034316983915192
Energy: 1.1745193853681628
Energy: 0.9664521307897525
Energy: 1.1247229314021203
Energy: 1.4806479882896433
Energy: 1.1247229314080835
Energy: 0.9664521307897525
Energy: 1.1247229314080835
Energy: 0.969399243168647
Energy: 1.1630425812587073
Energy: 1.2340215044049636
Energy: 1.1630425812554548
Energy: 0.9693992431691891
Energy: 1.1630425812554548
Energy: 0.9045101562259988
Energy: 1.085049020404031
Energy: 1.4222822300219047
Energy: 1.085049020396442
Energy: 0.9045101562259988
Energy: 1.085049020396442
Energy: 0.973786947588009
Energy: 1.180758873597024
Energy: 1.4825015013936846
Energy: 1.1807588735986503
Energy: 0.973786947588009
Energy: 1.1807588735986503
Energy: 0.911324719837606
Energy: 0.9061533998950851
Energy: 1.682564865758491
Energy: 0.9061533998902064
Energy: 0.9113247198365219
Energy: 0.9061533998929169
Energy: 0.9137837057599976
Energy: 1.1866832747272287
Energy: 1.4315830370780844
Energy: 1.1866832747261447
Energy: 0.9137837057589132
Energy: 1.1866832747261447
Energy: 0.9045684728224028
Energy: 0.9078605461840678
Energy: 1.5549915813299418
Energy: 0.9078605461846099
Energy: 0.9045684728229448
Energy: 0.9078605461846099
Energy: 0.9725926822809573
Energy: 1.1802086599054382
Energy: 1.4824441672871822
Energy: 1.1802086599011015
Energy: 0.9725926822814993
Energy: 1.1802086599011015
Energy: 0.9080477179998766
Energy: 0.9078098984569483
Energy: 1.6174488705037136
Energy: 0.90780989845478
Energy: 0.9080477179993345
Energy: 0.907809898455322
Energy: 0.9606009269108675
Energy: 1.1629234933256376
Energy: 1.2345601701531494
Energy: 1.1629234933261796
Energy: 0.9606009269108675
Energy: 1.1629234933256376
Energy: 0.9740205860892149
Energy: 1.1258061026554245
Energy: 1.2273610471609142
Energy: 1.1258061026570507
Energy: 0.9740205860892149
Energy: 1.125806102657593
Energy: 1.222161342255191
Energy: 1.154997670488867
Energy: 1.2195709020590577
Energy: 1.1549976704899512
Energy: 1.2221613422546487
Energy: 1.1549976704899512

minimum gb energy = 0.8968865982580622 eV
minimum distance =  2.30404303031946 Angstroms
sigma value = 81


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

Energy: 1.5471296751974866
Energy: 1.3775958710600975
Energy: 1.0765639814032384
Energy: 1.3775958710608414
Energy: 1.5471296751967423
Energy: 1.3775958710608414
Energy: 1.625221809085983
Energy: 1.0420706254076861
Energy: 1.0210637493234767
Energy: 1.042070625406942
Energy: 1.6252218090867268
Energy: 1.042070625406942
Energy: 1.4881617304998758
Energy: 1.3514750766865566
Energy: 1.1614163025790785
Energy: 1.3514750766887889
Energy: 1.4881617304998758
Energy: 1.3514750766887889
Energy: 1.4367170150799022
Energy: 1.0155708318997807
Energy: 1.0190513310944767
Energy: 1.0155708319035004
Energy: 1.4367170150799022
Energy: 1.0155708319027565
Energy: 1.1450176009791802
Energy: 1.3287792798194213
Energy: 1.0986481271882533
Energy: 1.3287792798216531
Energy: 1.1450176009791802
Energy: 1.3287792798216531
Energy: 1.2688734807668318
Energy: 1.3111456453119161
Energy: 1.1054089384544508
Energy: 1.3111456453081962
Energy: 1.2688734807668318
Energy: 1.31114564530894
Energy: 1.1203520655514803
Energy: 1.3316977517626434
Energy: 1.1159262201274036
Energy: 1.3316977517626434
Energy: 1.1203520655514803
Energy: 1.3316977517633872
Energy: 1.0982939753858587
Energy: 1.3072368055507166
Energy: 1.137103266310056
Energy: 1.3072368055522046
Energy: 1.0982939753858587
Energy: 1.3072368055522046
Energy: 1.0303879805888463
Energy: 1.014737560632567
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Energy: 1.014737560635543
Energy: 1.1203490154657791
Energy: 1.3366886540935012
Energy: 1.4518832318469794
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Energy: 1.120349015465035
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Energy: 1.023937231880412
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Energy: 1.0082359634734561
Energy: 1.0113464649561945
Energy: 1.3439041841408708
Energy: 1.4250457932570864
Energy: 1.3439041841386385
Energy: 1.0113464649561945
Energy: 1.3439041841386385
Energy: 1.0212897198589452
Energy: 1.262509002420944
Energy: 1.4601863786856208
Energy: 1.262509002421688
Energy: 1.021289719859689
Energy: 1.262509002421688
Energy: 1.1090000828181856
Energy: 1.3368275081121956
Energy: 1.4519260150625537
Energy: 1.3368275081159158
Energy: 1.1090000828181856
Energy: 1.3368275081159158
Energy: 1.1095386718660638
Energy: 1.2707223174288016
Energy: 1.4394981314998652
Energy: 1.2707223174325215
Energy: 1.1095386718668077
Energy: 1.2707223174317779
Energy: 1.1034391237915457
Energy: 1.344850289051272
Energy: 1.1371546871757072
Energy: 1.3448502890520158
Energy: 1.1034391237915457
Energy: 1.3448502890520158
Energy: 1.1029781766116062
Energy: 1.3115629265678803
Energy: 1.3600096401517596
Energy: 1.3115629265634166
Energy: 1.1029781766116062
Energy: 1.3115629265634166
Energy: 1.4369957364953074
Energy: 1.3256379923875439
Energy: 1.1053177077539456
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Energy: 1.4369957364953074
Energy: 1.3256379923875439
Energy: 1.436986712796269
Energy: 1.3404356830483253
Energy: 1.0932000683123062
Energy: 1.3404356830490691
Energy: 1.4369867127955251
Energy: 1.3404356830490691
Energy: 1.4527413925109467
Energy: 1.3450116117496165
Energy: 1.0192427479493393
Energy: 1.3450116117496165
Energy: 1.4527413925109467
Energy: 1.3450116117503603
Energy: 1.4525940511565198
Energy: 1.3363689678451371
Energy: 1.277416992873411
Energy: 1.3363689678481134
Energy: 1.4525940511572637
Energy: 1.3363689678481134
Energy: 1.8201588886069262
Energy: 1.2710168380239675
Energy: 1.0207031335045733
Energy: 1.2710168380269438
Energy: 1.8201588886069262
Energy: 1.2710168380269438
Energy: 1.8201839187312374
Energy: 1.3251662423005954
Energy: 1.0177289162492291
Energy: 1.3251662422998514
Energy: 1.8201839187319815
Energy: 1.3251662422998514
Energy: 1.452632130649672
Energy: 1.3357822685973209
Energy: 1.2810698564703504
Energy: 1.335782268600297
Energy: 1.4526321306504157
Energy: 1.335782268599553
Energy: 1.4526785707816676
Energy: 1.345146801549049
Energy: 1.0261874159690738
Energy: 1.345146801548305
Energy: 1.4526785707816676
Energy: 1.345146801548305
Energy: 1.4369712143975144
Energy: 1.3400696435271688
Energy: 1.093054718960728
Energy: 1.340069643524193
Energy: 1.4369712143975144
Energy: 1.340069643524193
Energy: 1.4370738117393753
Energy: 1.3258076528353149
Energy: 1.105287353019816
Energy: 1.3258076528345708
Energy: 1.4370738117393753
Energy: 1.3258076528345708
Energy: 1.103034803115416
Energy: 1.3112926410172605
Energy: 1.4528596511866263
Energy: 1.3112926410172605
Energy: 1.1030348031146722
Energy: 1.3112926410165164
Energy: 1.1032355596734564
Energy: 1.3448826081125407
Energy: 1.138835894076224
Energy: 1.3448826081103087
Energy: 1.1032355596734564
Energy: 1.3448826081095648
Energy: 1.1063247846291968
Energy: 1.2707223174258258
Energy: 1.4400504043946067
Energy: 1.2707223174310336
Energy: 1.1063247846299407
Energy: 1.2707223174310336
Energy: 1.108759584566351
Energy: 1.3372235322836243
Energy: 1.4515630423130046
Energy: 1.3372235322866002
Energy: 1.1087595845656066
Energy: 1.3372235322866002
Energy: 1.021024543930526
Energy: 1.1571145671258787
Energy: 1.6393223328679485
Energy: 1.157114567128855
Energy: 1.02102454393127
Energy: 1.1571145671295986
Energy: 1.0208060419542706
Energy: 1.344012528353072
Energy: 1.425015642872447
Energy: 1.3440125283493518
Energy: 1.0208060419542706
Energy: 1.3440125283493518
Energy: 1.0243000179106834
Energy: 1.0158150865953737
Energy: 1.5546218120356523
Energy: 1.0158150865976057
Energy: 1.0243000179114274
Energy: 1.0158150865976057
Energy: 1.1203490154672673
Energy: 1.3372738847909622
Energy: 1.4516578193431262
Energy: 1.337273884791706
Energy: 1.1203490154672673
Energy: 1.337273884791706
Energy: 1.0306534631422277
Energy: 1.0154480859908246
Energy: 1.6405096707742346
Energy: 1.0154480859893364
Energy: 1.0306534631422277
Energy: 1.0154480859893364
Energy: 1.0966803108733725
Energy: 1.3076146952454861
Energy: 1.1368186680634909
Energy: 1.3076146952439982
Energy: 1.0966803108733725
Energy: 1.3076146952439982
Energy: 1.1204795278983033
Energy: 1.32940208683183
Energy: 1.2766417049904277
Energy: 1.3294020868303418
Energy: 1.1204795278975592
Energy: 1.3294020868303418

minimum gb energy = 1.0082359634734561 eV
minimum distance =  2.20201809714892 Angstroms
sigma value = 43


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

Energy: 1.5790221236046047
Energy: 1.4716690314304146
Energy: 1.087492061173975
Energy: 1.4716690314304146
Energy: 1.5790221236055186
Energy: 1.4716690314304146
Energy: 1.5054443657685164
Energy: 1.156331775238228
Energy: 1.0974900985007565
Energy: 1.156331775238228
Energy: 1.5054443657685164
Energy: 1.156331775238228
Energy: 1.1558050284609693
Energy: 1.4511605322640746
Energy: 1.088060556501635
Energy: 1.4511605322640746
Energy: 1.1558050284609693
Energy: 1.4511605322640746
Energy: 1.527932130855479
Energy: 1.1023151595503426
Energy: 1.0973432602442639
Energy: 1.1023151595512561
Energy: 1.527932130855479
Energy: 1.1023151595512561
Energy: 1.1188516886369715
Energy: 1.4649006704566205
Energy: 1.0914254248182267
Energy: 1.4649006704566205
Energy: 1.1188516886369715
Energy: 1.4649006704557068
Energy: 1.0873039557267843
Energy: 1.4394369043798483
Energy: 1.0959248529024888
Energy: 1.4394369043798483
Energy: 1.0873039557267843
Energy: 1.4394369043798483
Energy: 1.0930778610778678
Energy: 1.0961325868084224
Energy: 1.3038549110440179
Energy: 1.0961325868084224
Energy: 1.0930778610778678
Energy: 1.0961325868084224
Energy: 1.136340678109015
Energy: 1.4248232796967941
Energy: 1.1295028835647698
Energy: 1.4248232796967941
Energy: 1.136340678109015
Energy: 1.4248232796967941
Energy: 1.099671478420413
Energy: 1.2928365426646051
Energy: 1.5739037383084384
Energy: 1.2928365426646051
Energy: 1.099671478421327
Energy: 1.2928365426646051
Energy: 1.0998904532147347
Energy: 1.450850655576796
Energy: 1.5350874403269215
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Energy: 1.0998904532147347
Energy: 1.450850655576796
Energy: 1.0931968949991049
Energy: 1.4639015307058174
Energy: 1.3029918454301275
Energy: 1.4639015307058174
Energy: 1.0931968950000184
Energy: 1.4639015307058174
Energy: 1.0876100657389969
Energy: 1.4248927966569587
Energy: 1.1293436713460114
Energy: 1.4248927966569587
Energy: 1.0876100657389969
Energy: 1.4248927966569587
Energy: 1.0998658224613629
Energy: 1.088941157523741
Energy: 1.4266051289139303
Energy: 1.0889411575246548
Energy: 1.0998658224613629
Energy: 1.0889411575246548
Energy: 1.0950671187725285
Energy: 1.4521001692719187
Energy: 1.0961670722257417
Energy: 1.4521001692719187
Energy: 1.0950671187725285
Energy: 1.4521001692719187
Energy: 1.0933832579957694
Energy: 1.4391205063847965
Energy: 1.0877740586327762
Energy: 1.4391205063857102
Energy: 1.0933832579957694
Energy: 1.4391205063847965
Energy: 1.5058407409259433
Energy: 1.270909875641268
Energy: 1.0976017538120073
Energy: 1.2709098756403538
Energy: 1.5058407409259433
Energy: 1.2709098756403538
Energy: 1.507989266822922
Energy: 1.4244363680984102
Energy: 1.4270568547105889
Energy: 1.4244363680974963
Energy: 1.507989266823836
Energy: 1.4244363680974963
Energy: 1.5350556693297213
Energy: 1.460687945043326
Energy: 1.1002792268134867
Energy: 1.460687945043326
Energy: 1.5350556693297213
Energy: 1.460687945043326
Energy: 1.5357475587835723
Energy: 1.451425877640631
Energy: 1.1012643092125614
Energy: 1.4514258776415447
Energy: 1.5357475587835723
Energy: 1.451425877640631
Energy: 1.5058022115281882
Energy: 1.4673263147899993
Energy: 1.0973841425178603
Energy: 1.4673263147899993
Energy: 1.5058022115272744
Energy: 1.4673263147899993
Energy: 1.5079383709204455
Energy: 1.4898975964943417
Energy: 1.095221164575185
Energy: 1.4898975964943417
Energy: 1.5079383709204455
Energy: 1.4898975964943417
Energy: 1.0948864649669063
Energy: 1.4396635447183663
Energy: 1.0888805230167933
Energy: 1.4396635447183663
Energy: 1.0948864649669063
Energy: 1.4396635447183663
Energy: 1.0937013747688775
Energy: 1.4514810141653407
Energy: 1.094412376720413
Energy: 1.4514810141653407
Energy: 1.0937013747688775
Energy: 1.4514810141653407
Energy: 1.0883366555385747
Energy: 1.463850172479124
Energy: 1.097986148367425
Energy: 1.463850172479124
Energy: 1.0883366555385747
Energy: 1.463850172479124
Energy: 1.1096220947253974
Energy: 1.4899015382424463
Energy: 1.1321776408258355
Energy: 1.4899015382424463
Energy: 1.1096220947253974
Energy: 1.4899015382424463
Energy: 1.0937679361896029
Energy: 1.4641724864026164
Energy: 1.5066559522700116
Energy: 1.4641724864026164
Energy: 1.0937679361896029
Energy: 1.4641724864026164
Energy: 1.0999231903353468
Energy: 1.4514806264457278
Energy: 1.5375497401680323
Energy: 1.4514806264457278
Energy: 1.0999231903353468
Energy: 1.4514806264457278
Energy: 1.102031839367544
Energy: 1.4491839186243187
Energy: 1.3620504784563667
Energy: 1.4491839186243187
Energy: 1.102031839367544
Energy: 1.4491839186243187
Energy: 1.1390386630756766
Energy: 1.4244397883452562
Energy: 1.132213559069869
Energy: 1.4244397883452562
Energy: 1.1390386630756766
Energy: 1.4244397883452562
Energy: 1.09384274115728
Energy: 1.0947330411010645
Energy: 1.3029969503005574
Energy: 1.0947330411010645
Energy: 1.09384274115728
Energy: 1.0947330411010645
Energy: 1.0907363647961965
Energy: 1.4392414634766175
Energy: 1.0943597890738814
Energy: 1.4392414634766175
Energy: 1.0907363647961965
Energy: 1.4392414634766175

minimum gb energy = 1.0873039557267843 eV
minimum distance =  2.27378411041413 Angstroms
sigma value = 57


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

Energy: 1.2823029952882103
Energy: 1.6389662631760384
Energy: 1.3653672769685212
Energy: 1.6389662631760384
Energy: 1.2823029952882103
Energy: 1.6389662631760384
Energy: 1.5017828283758399
Energy: 1.2666417711329807
Energy: 1.1947107732367404
Energy: 1.2666417711329807
Energy: 1.5017828283746566
Energy: 1.2666417711329807
Energy: 1.2189418715062887
Energy: 1.639527787061294
Energy: 1.3878393245785152
Energy: 1.639527787061294
Energy: 1.2189418715062887
Energy: 1.639527787061294
Energy: 1.2101779822415522
Energy: 1.2060596176803597
Energy: 1.196184653420879
Energy: 1.2060596176815432
Energy: 1.2101779822427354
Energy: 1.2060596176815432
Energy: 1.1902525065313654
Energy: 1.2250167643289862
Energy: 1.37258132325018
Energy: 1.2250167643289862
Energy: 1.1902525065313654
Energy: 1.2250167643289862
Energy: 1.2021836505068322
Energy: 1.6239100557393387
Energy: 1.1954771638102488
Energy: 1.6239100557405222
Energy: 1.2021836505068322
Energy: 1.6239100557405222
Energy: 1.2051013284678864
Energy: 1.442634527094385
Energy: 1.5073342697664556
Energy: 1.442634527094385
Energy: 1.2051013284678864
Energy: 1.442634527094385
Energy: 1.2084263994025712
Energy: 1.6166131377984472
Energy: 1.253459949499544
Energy: 1.6166131377984472
Energy: 1.2084263994025712
Energy: 1.6166131377984472
Energy: 1.1906845813108184
Energy: 1.2710643081948245
Energy: 1.360601085209351
Energy: 1.2710643081948245
Energy: 1.1906845813108184
Energy: 1.2710643081936412
Energy: 1.1974448868294953
Energy: 1.6185548708355977
Energy: 1.1956959263630982
Energy: 1.6185548708355977
Energy: 1.1974448868294953
Energy: 1.6185548708355977
Energy: 1.2054173447669172
Energy: 1.199131038152385
Energy: 1.1985679556683877
Energy: 1.1991310381535685
Energy: 1.2054173447669172
Energy: 1.1991310381535685
Energy: 1.1946690286363297
Energy: 1.4254129098389132
Energy: 1.1962469666115376
Energy: 1.4254129098389132
Energy: 1.1946690286363297
Energy: 1.4254129098389132
Energy: 1.1909016272464596
Energy: 1.6259796376556197
Energy: 1.228814322602415
Energy: 1.6259796376544362
Energy: 1.190901627247643
Energy: 1.6259796376544362
Energy: 1.4806134157947979
Energy: 1.632045763873633
Energy: 1.2038570135094735
Energy: 1.632045763873633
Energy: 1.4806134157947979
Energy: 1.632045763873633
Energy: 1.767837056947375
Energy: 1.6156173028187477
Energy: 1.2035821109477922
Energy: 1.6156173028175644
Energy: 1.767837056947375
Energy: 1.6156173028175644
Energy: 1.194220834977221
Energy: 1.6447167404745415
Energy: 1.1956841358447188
Energy: 1.6447167404745415
Energy: 1.194220834977221
Energy: 1.6447167404745415
Energy: 1.1912444411146175
Energy: 1.428937162274214
Energy: 1.2062549422964366
Energy: 1.428937162275397
Energy: 1.1912444411146175
Energy: 1.428937162275397
Energy: 1.1967450386490739
Energy: 1.461863193882249
Energy: 1.1968933714059615
Energy: 1.461863193883432
Energy: 1.1967450386490739
Energy: 1.461863193883432
Energy: 1.2062580475386102
Energy: 1.4290235248405296
Energy: 1.1912450987301297
Energy: 1.4290235248405296
Energy: 1.206258047537427
Energy: 1.4290235248405296
Energy: 1.1957000650514464
Energy: 1.6447156598085544
Energy: 1.1942202922438474
Energy: 1.644715659807371
Energy: 1.1957000650514464
Energy: 1.644715659807371
Energy: 1.2035290237158676
Energy: 1.6157358262340835
Energy: 1.7676614595208324
Energy: 1.6157358262340835
Energy: 1.2035290237158676
Energy: 1.6157358262340835
Energy: 1.20390934231837
Energy: 1.4324285989089758
Energy: 1.48069430565029
Energy: 1.4324285989077925
Energy: 1.20390934231837
Energy: 1.4324285989089758
Energy: 1.2702252398409215
Energy: 1.625983564570365
Energy: 1.19088952038226
Energy: 1.6259835645715486
Energy: 1.2702252398409215
Energy: 1.625983564570365
Energy: 1.196254916355517
Energy: 1.4253862904061743
Energy: 1.1942116519733452
Energy: 1.4253862904061743
Energy: 1.196254916355517
Energy: 1.4253862904061743

minimum gb energy = 1.1902525065313654 eV
minimum distance =  2.27278817303043 Angstroms
sigma value = 17


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

Energy: 1.340142402441857
Energy: 1.329454826614854
Energy: 1.465976594906873
Energy: 1.329454826614854
Energy: 1.340142402441857
Energy: 1.329454826614854
Energy: 1.353863839137592
Energy: 1.3289515615008807
Energy: 1.330395404733226
Energy: 1.3289515615008807
Energy: 1.353863839137592
Energy: 1.3289515615008807
Energy: 1.3551297383067105
Energy: 1.3432680500582355
Energy: 1.5349901551396248
Energy: 1.3432680500582355
Energy: 1.3551297383067105
Energy: 1.3432680500582355
Energy: 1.3429097286192209
Energy: 1.3277854830928966
Energy: 1.3267971492631598
Energy: 1.3277854830928966
Energy: 1.3429097286192209
Energy: 1.3277854830928966
Energy: 1.328300556095569
Energy: 1.3282410466559524
Energy: 1.630664089891519
Energy: 1.3282410466559524
Energy: 1.328300556095569
Energy: 1.3282410466559524
Energy: 1.3362680652644643
Energy: 1.319747506104876
Energy: 1.3165555586969941
Energy: 1.319747506104876
Energy: 1.3362680652644643
Energy: 1.319747506104876
Energy: 1.3414200095249826
Energy: 1.4777438598643828
Energy: 1.354212719397276
Energy: 1.4777438598643828
Energy: 1.3414200095249826
Energy: 1.4777438598643828
Energy: 1.3338892477489013
Energy: 1.4492485553331331
Energy: 1.326796251375972
Energy: 1.4492485553331331
Energy: 1.3338892477489013
Energy: 1.4492485553331331
Energy: 1.3282874267048954
Energy: 1.3264670906516471
Energy: 1.3829960592016752
Energy: 1.3264670906516471
Energy: 1.3282874267048954
Energy: 1.3264670906516471
Energy: 1.3169397539785357
Energy: 1.3040713346324022
Energy: 1.3303842100456749
Energy: 1.3040713346324022
Energy: 1.3169397539785357
Energy: 1.3040713346324022
Energy: 1.3177360537993181
Energy: 1.3283440063765108
Energy: 1.3331550469018536
Energy: 1.3283440063748375
Energy: 1.3177360537993181
Energy: 1.3283440063748375
Energy: 1.3265247891475365
Energy: 1.328539831991688
Energy: 1.3323382878979644
Energy: 1.328539831991688
Energy: 1.3265247891475365
Energy: 1.328539831991688
Energy: 1.3283528665974502
Energy: 1.4507154696243327
Energy: 1.3283401856728643
Energy: 1.4507154696243327
Energy: 1.3283528665974502
Energy: 1.4507154696243327
Energy: 1.3267836432584954
Energy: 1.3266467452998647
Energy: 1.3264092800982132
Energy: 1.3266467452998647
Energy: 1.3267836432601687
Energy: 1.3266467452998647
Energy: 1.330149767403941
Energy: 1.4323834801801543
Energy: 1.3168874472819132
Energy: 1.4323834801801543
Energy: 1.330149767403941
Energy: 1.4323834801801543
Energy: 1.3330234045519485
Energy: 1.3281329763037049
Energy: 1.319361458302547
Energy: 1.3281329763020315
Energy: 1.3330234045502751
Energy: 1.3281329763020315
Energy: 1.3339028319232553
Energy: 1.3271676311380807
Energy: 1.3289078275216573
Energy: 1.3271676311397542
Energy: 1.3339028319249289
Energy: 1.3271676311397542

minimum gb energy = 1.3040713346324022 eV
minimum distance =  2.27019971137794 Angstroms
sigma value = 17


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

Energy: 1.8112887005795042
Energy: 1.8838408036178227
Energy: 1.704203537851126
Energy: 1.8838408036178227
Energy: 1.8112887005795042
Energy: 1.8838408036178227
Energy: 1.607026916340249
Energy: 1.3652140521549714
Energy: 1.3516980676809074
Energy: 1.3652140521536789
Energy: 1.607026916340249
Energy: 1.3652140521543252
Energy: 1.3576652911304214
Energy: 1.4271271166872126
Energy: 1.379630315912181
Energy: 1.4271271166865664
Energy: 1.3576652911297755
Energy: 1.4271271166865664
Energy: 1.3948646779461198
Energy: 1.7013183888856565
Energy: 1.4203801679382977
Energy: 1.7013183888869488
Energy: 1.394864677946766
Energy: 1.7013183888856565
Energy: 1.3575318102180607
Energy: 1.4134648266694918
Energy: 1.6317112490305588
Energy: 1.4134648266675536
Energy: 1.3575318102180607
Energy: 1.4134648266675536
Energy: 1.4293874631472476
Energy: 1.7110289432044312
Energy: 1.443251155133806
Energy: 1.7110289432044312
Energy: 1.4293874631466013
Energy: 1.7110289432044312
Energy: 1.3485502458805432
Energy: 1.4305114839200834
Energy: 1.5791377793054642
Energy: 1.4305114839194373
Energy: 1.348550245881189
Energy: 1.4305114839200834
Energy: 1.749859021692065
Energy: 1.5309783335141582
Energy: 1.3530368989837607
Energy: 1.5309783335206202
Energy: 1.749859021692065
Energy: 1.5309783335251437
Energy: 1.4411930671418205
Energy: 1.7113450584587302
Energy: 1.3757545953486845
Energy: 1.7113450584580838
Energy: 1.4411930671411741
Energy: 1.7113450584580838
Energy: 1.750104749673185
Energy: 1.4075384446778987
Energy: 1.3462694619724103
Energy: 1.4163064693189171
Energy: 1.750104749673185
Energy: 1.407538444679191
Energy: 1.4173445236640785
Energy: 1.7327232971281292
Energy: 1.4215914662469473
Energy: 1.7327232971281292
Energy: 1.4173445236640785
Energy: 1.7327232971281292
Energy: 1.3646135012892482
Energy: 1.7131053639511558
Energy: 1.3528543871614451
Energy: 1.7131053639511558
Energy: 1.3646135012892482
Energy: 1.7131053639511558
Energy: 1.3548888639035084
Energy: 1.5314002473108106
Energy: 1.7629826921853609
Energy: 1.5314002473108106
Energy: 1.3548888639035084
Energy: 1.5314002473101644
Energy: 1.3671985296628175
Energy: 1.6877573894567826
Energy: 1.7955133573479671
Energy: 1.6877573894554903
Energy: 1.367198529664756
Energy: 1.6877573894561366
Energy: 1.3641306798452297
Energy: 1.7627219514118786
Energy: 1.4212904007596996
Energy: 1.7627219514112322
Energy: 1.3641306798452297
Energy: 1.7627219514118786
Energy: 1.420976827001869
Energy: 1.7188676097579938
Energy: 1.3532623914163395
Energy: 1.6646110132481515
Energy: 1.420976827001869
Energy: 1.7188676097605786
Energy: 1.415809434995774
Energy: 1.7416848382950487
Energy: 1.3514587925542072
Energy: 1.7416848382944023
Energy: 1.415809434995774
Energy: 1.7416848382944023
Energy: 1.7784592630674083
Energy: 1.6181903089921632
Energy: 1.371072352747399
Energy: 1.6181903089915173
Energy: 1.7784592630667626
Energy: 1.6181903089928096
Energy: 1.693214083208835
Energy: 1.6439457132561817
Energy: 1.3490564551116924
Energy: 1.643945713256828
Energy: 1.693214083208835
Energy: 1.643945713256828
Energy: 1.3516955248251479
Energy: 1.7193969161926383
Energy: 1.3518981541537585
Energy: 1.630210101812385
Energy: 1.351695524825794
Energy: 1.719396916194577
Energy: 1.3489367766045466
Energy: 1.6439212182566827
Energy: 1.6050947873140116
Energy: 1.6439212182560365
Energy: 1.3489367766039007
Energy: 1.6439212182553904
Energy: 1.371157413392236
Energy: 1.6185218455286792
Energy: 1.7786140240720971
Energy: 1.6185218455286792
Energy: 1.371157413392236
Energy: 1.6185218455286792
Energy: 1.3581452204720814
Energy: 1.7417163421552875
Energy: 1.4157985748106168
Energy: 1.7417163421559338
Energy: 1.3581452204727273
Energy: 1.7417163421552875
Energy: 1.353160611049813
Energy: 1.7684127407540342
Energy: 1.4211484629242388
Energy: 1.7684127407540342
Energy: 1.353160611050459
Energy: 1.7684127407540342
Energy: 1.422072444694922
Energy: 1.7628624146722578
Energy: 1.3498157022411124
Energy: 1.7628624146722578
Energy: 1.4220724446942759
Energy: 1.7628624146722578
Energy: 1.7954598489219522
Energy: 1.6877560951718193
Energy: 1.3671412382175465
Energy: 1.6877560951724655
Energy: 1.7954598489225986
Energy: 1.6877560951724655
Energy: 1.7631008716464451
Energy: 1.5315529604046194
Energy: 1.3549244670902276
Energy: 1.5315529604046194
Energy: 1.7631008716464451
Energy: 1.5315529604046194
Energy: 1.3529905822149388
Energy: 1.7131044121208279
Energy: 1.364514452615773
Energy: 1.7131044121201817
Energy: 1.3529905822149388
Energy: 1.7131044121201817
Energy: 1.4220672715687936
Energy: 1.7328360955098236
Energy: 1.417264815585876
Energy: 1.7328360955104698
Energy: 1.4220672715681473
Energy: 1.7328360955104698
Energy: 1.3464312753152272
Energy: 1.4075384446778987
Energy: 1.7503994658283029
Energy: 1.4075384446785448
Energy: 1.3464312753152272
Energy: 1.4075384446778987
Energy: 1.375769998206078
Energy: 1.7112280334381798
Energy: 1.4412270572792474
Energy: 1.7112280334381798
Energy: 1.3757699982067242
Energy: 1.7112280334381798
Energy: 1.3528678749315206
Energy: 1.5313902755082534
Energy: 1.7498296600267065
Energy: 1.5313902755082534
Energy: 1.3528678749321668
Energy: 1.5313902755076072
Energy: 1.579164172910624
Energy: 1.4303412758035818
Energy: 1.3486583108388563
Energy: 1.430341275804228
Energy: 1.579164172910624
Energy: 1.4303412758035818
Energy: 1.4431858985929646
Energy: 1.7111252923780396
Energy: 1.4295728009805702
Energy: 1.711125292378686
Energy: 1.4431858985929646
Energy: 1.7111252923780396
Energy: 1.631556418726641
Energy: 1.4134648266688457
Energy: 1.3575431376149882
Energy: 1.4134648266675536
Energy: 1.6315564187259948
Energy: 1.4134648266675536
Energy: 1.4203821395662963
Energy: 1.7013479792065902
Energy: 1.3949305925157303
Energy: 1.7013479792065902
Energy: 1.4203821395662963
Energy: 1.7013479792072366
Energy: 1.3800696129116743
Energy: 1.426690228647305
Energy: 1.3576785323773028
Energy: 1.4266902286466592
Energy: 1.3800696129116743
Energy: 1.4266902286466592
Energy: 1.3517228374738528
Energy: 1.3654909535961743
Energy: 1.606942787358895
Energy: 1.3654909535961743
Energy: 1.3517228374738528
Energy: 1.3654909535961743
Energy: 1.6303945452394224
Energy: 1.8838408036165302
Energy: 1.8112887005801503
Energy: 1.8838408036165302
Energy: 1.6303945452394224
Energy: 1.8838408036165302
Energy: 1.3516980676796149
Energy: 1.3652140521543252
Energy: 1.6070269163389566
Energy: 1.3652140521543252
Energy: 1.3516980676789687
Energy: 1.3652140521549714
Energy: 1.3796303160181291
Energy: 1.4271271166865664
Energy: 1.3576652911284832
Energy: 1.4271271166872126
Energy: 1.379630316022623
Energy: 1.4271271166872126
Energy: 1.4203801679382977
Energy: 1.701318388884364
Energy: 1.3948646779454734
Energy: 1.7013183888837176
Energy: 1.4203801679382977
Energy: 1.7013183888837176
Energy: 1.6317112490299126
Energy: 1.4134648266681995
Energy: 1.3575318102167682
Energy: 1.4134648266688457
Energy: 1.6317112490299126
Energy: 1.4134648266688457

minimum gb energy = 1.3462694619724103 eV
minimum distance =  2.24662726681034 Angstroms
sigma value = 57


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

Energy: 1.4885274859570028
Energy: 1.849591870505233
Energy: 1.887666918081929
Energy: 1.8495918705062853
Energy: 1.4885274859570028
Energy: 1.8495918705062853
Energy: 1.4335204999068119
Energy: 1.3634528129951682
Energy: 1.3631052798901233
Energy: 1.3634528129951682
Energy: 1.4335204999078641
Energy: 1.3634528129951682
Energy: 1.347784152098149
Energy: 1.4697571660959063
Energy: 1.4625804663148163
Energy: 1.4697571660895936
Energy: 1.347784152097097
Energy: 1.4697571660895936
Energy: 1.4792845596991635
Energy: 1.4452347590113677
Energy: 1.4480175399278423
Energy: 1.4452347590103156
Energy: 1.4792845597012676
Energy: 1.4452347590103156
Energy: 1.349450991518854
Energy: 1.4226405038633712
Energy: 1.476052466830905
Energy: 1.422640503864423
Energy: 1.349450991518854
Energy: 1.422640503864423
Energy: 1.4566479731931923
Energy: 1.4518904863050457
Energy: 1.4487271269252653
Energy: 1.4518904863113586
Energy: 1.4566479731931923
Energy: 1.4518904863103066
Energy: 1.3495141356883942
Energy: 1.4577835709510465
Energy: 1.3734165855774716
Energy: 1.4577835709499944
Energy: 1.3495141356883942
Energy: 1.4577835709499944
Energy: 1.719263508978907
Energy: 1.3992522587258684
Energy: 1.3631820595407946
Energy: 1.399252258729025
Energy: 1.719263508978907
Energy: 1.399252258729025
Energy: 1.4769015849989955
Energy: 1.853499496965214
Energy: 1.3702730373900853
Energy: 1.8534994969620575
Energy: 1.4769015850000475
Energy: 1.8534994969610052
Energy: 1.4157464747560549
Energy: 1.3623225111921717
Energy: 1.3617081914697668
Energy: 1.3623225111911195
Energy: 1.4157464747560549
Energy: 1.3623225111911195
Energy: 1.3494148083992095
Energy: 1.611534912685175
Energy: 1.4416056198760432
Energy: 1.6115349126809662
Energy: 1.3494148083992095
Energy: 1.6115349126830707
Energy: 1.4207167189254915
Energy: 1.4424886605184597
Energy: 1.442327739813637
Energy: 1.442488660521616
Energy: 1.4207167189254915
Energy: 1.442488660521616
Energy: 1.3508236664000925
Energy: 1.6459039465703316
Energy: 1.4418047332507602
Energy: 1.6459039465703316
Energy: 1.3508236664011448
Energy: 1.6459039465703316
Energy: 1.4640961207219
Energy: 1.506451874552882
Energy: 1.4422644939459457
Energy: 1.5064518745539341
Energy: 1.4640961207229521
Energy: 1.5064518745539341
Energy: 1.3520770845877494
Energy: 1.4570351888302269
Energy: 1.370477340910467
Energy: 1.4570351888281223
Energy: 1.3520770845888015
Energy: 1.457035188824966
Energy: 1.7156565611064087
Energy: 1.6737267721781133
Energy: 1.3615086005351542
Energy: 1.6737267721865305
Energy: 1.7156565611095653
Energy: 1.6737267721865305
Energy: 1.4751566350502494
Energy: 1.682688105248345
Energy: 1.3645683036350262
Energy: 1.682688105249397
Energy: 1.4751566350502494
Energy: 1.682688105249397
Energy: 1.4655947988556062
Energy: 1.4574839721917785
Energy: 1.3624155841705974
Energy: 1.4574839721865174
Energy: 1.4655947988556062
Energy: 1.4574839721875696
Energy: 1.352350878557159
Energy: 1.615061351144096
Energy: 1.447212733353497
Energy: 1.615061351144096
Energy: 1.352350878557159
Energy: 1.6150613511430436
Energy: 1.467512611854965
Energy: 1.6460091618454051
Energy: 1.4434918946009632
Energy: 1.6460091618433006
Energy: 1.467512611854965
Energy: 1.6460091618433006
Energy: 1.3564213218759704
Energy: 1.6452189280812664
Energy: 1.4471862076741628
Energy: 1.6452189280844232
Energy: 1.3564213218759704
Energy: 1.6452189280844232
Energy: 1.3551868425851379
Energy: 1.6192717096370552
Energy: 1.4433544449611866
Energy: 1.6192717096381075
Energy: 1.3551868425861904
Energy: 1.6192717096381075
Energy: 1.3581527268126767
Energy: 1.4567789037776953
Energy: 1.364665875541382
Energy: 1.4567789037724346
Energy: 1.3581527268126767
Energy: 1.4567789037724346
Energy: 1.4763468549936063
Energy: 1.6833633121218696
Energy: 1.3621897285065891
Energy: 1.683363312117661
Energy: 1.4763468549946586
Energy: 1.6833633121166087
Energy: 1.4800376510120068
Energy: 1.472371318570741
Energy: 1.3614301180997328
Energy: 1.472371318571793
Energy: 1.4800376510120068
Energy: 1.472371318571793
Energy: 1.3549170857352182
Energy: 1.4567020671191329
Energy: 1.3668324191076828
Energy: 1.4567020671264979
Energy: 1.3549170857362705
Energy: 1.45670206712755
Energy: 1.358046231139039
Energy: 1.618929255497315
Energy: 1.4416696921301464
Energy: 1.6189292554720627
Energy: 1.3580462311400914
Energy: 1.6189292554994195

minimum gb energy = 1.347784152097097 eV
minimum distance =  2.20826563707772 Angstroms
sigma value = 43


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

Energy: 1.5418751050852715
Energy: 1.812985686229113
Energy: 1.507842615128453
Energy: 1.8129856862298794
Energy: 1.5418751050845048
Energy: 1.8129856862298794
Energy: 1.4589522823220809
Energy: 1.421310348794227
Energy: 1.3950332925743902
Energy: 1.4213103487949934
Energy: 1.4589522823220809
Energy: 1.4213103487949934
Energy: 1.396327350125664
Energy: 1.519372326033916
Energy: 1.4013815801267655
Energy: 1.5193723260331495
Energy: 1.396327350125664
Energy: 1.5193723260331495
Energy: 1.5416865955813264
Energy: 1.7877765607317189
Energy: 1.499053268944023
Energy: 1.7877765607301856
Energy: 1.5416865955813264
Energy: 1.7877765607301856
Energy: 1.3948870620322134
Energy: 1.479804955836201
Energy: 1.4981546390192733
Energy: 1.4798049558354345
Energy: 1.3948870620322134
Energy: 1.4798049558354345
Energy: 1.4864947947528986
Energy: 1.494719611783145
Energy: 1.4035245250575192
Energy: 1.4947196117816117
Energy: 1.4864947947528986
Energy: 1.4947196117816117
Energy: 1.404066195802096
Energy: 1.4867857573211012
Energy: 1.420318977054681
Energy: 1.4867857573211012
Energy: 1.404066195801329
Energy: 1.4867857573211012
Energy: 1.5209694853144435
Energy: 1.4838276297630275
Energy: 1.3971106226949672
Energy: 1.483827629763794
Energy: 1.5209694853144435
Energy: 1.483827629763794
Energy: 1.4964466102019258
Energy: 1.7878830354197097
Energy: 1.507595506255547
Energy: 1.7878830354197097
Energy: 1.4964466102019258
Energy: 1.7878830354197097
Energy: 1.6177106224449846
Energy: 1.5093201084804828
Energy: 1.3963220526687303
Energy: 1.5093201084804828
Energy: 1.6177106224449846
Energy: 1.5093201084804828
Energy: 1.3961702310358997
Energy: 1.4508021263627213
Energy: 1.7175010985343782
Energy: 1.4508021263619546
Energy: 1.3961702310358997
Energy: 1.4508021263611879
Energy: 1.4209417566409877
Energy: 1.813382172468087
Energy: 1.5371312267249628
Energy: 1.8133821724673203
Energy: 1.4209417566409877
Energy: 1.8133821724673203
Energy: 1.3991586658536599
Energy: 1.4203184300989686
Energy: 1.5072998743581296
Energy: 1.4203184300982017
Energy: 1.3991586658536599
Energy: 1.4203184300982017
Energy: 1.4948915088233232
Energy: 1.6046683122387437
Energy: 1.3965360942304408
Energy: 1.6046683122387437
Energy: 1.4948915088233232
Energy: 1.6046683122387437
Energy: 1.4949055487833005
Energy: 1.7890598661408363
Energy: 1.4254917271403909
Energy: 1.7890598661416028
Energy: 1.4949055487833005
Energy: 1.7890598661423696
Energy: 1.4861652122547573
Energy: 1.509916879665269
Energy: 1.3976218313858302
Energy: 1.509916879666036
Energy: 1.4861652122539906
Energy: 1.509916879665269
Energy: 1.4075688088176068
Energy: 1.6220040069519652
Energy: 1.4871594474082215
Energy: 1.6220040069527317
Energy: 1.4075688088176068
Energy: 1.6220040069527317
Energy: 1.4208663264258374
Energy: 1.4867187584957153
Energy: 1.4101432956890316
Energy: 1.486718758496482
Energy: 1.4208663264258374
Energy: 1.4867187584957153
Energy: 1.4164102648668688
Energy: 1.5716807728545923
Energy: 1.4944865392178308
Energy: 1.571680772853059
Energy: 1.4164102648668688
Energy: 1.571680772853059
Energy: 1.397461726837562
Energy: 1.6754771890912716
Energy: 1.4962549660654003
Energy: 1.6754771890920384
Energy: 1.3974617268383287
Energy: 1.6754771890920384
Energy: 1.4024603592738307
Energy: 1.5086558794581573
Energy: 1.4207987874500583
Energy: 1.5086558794589238
Energy: 1.4024603592745974
Energy: 1.5086558794589238
Energy: 1.724272256614884
Energy: 1.608184261880621
Energy: 1.4012577915015305
Energy: 1.6081842618798543
Energy: 1.7242722566125843
Energy: 1.6081842618798543
Energy: 1.7347033390393312
Energy: 1.6571451920194333
Energy: 1.4279369614332036
Energy: 1.6571451920194333
Energy: 1.734703339037798
Energy: 1.6571451920194333
Energy: 1.397641418711777
Energy: 1.5089011143110733
Energy: 1.4252578406571146
Energy: 1.5089011143103068
Energy: 1.397641418711777
Energy: 1.5089011143103068
Energy: 1.402449312681853
Energy: 1.518029794003564
Energy: 1.4945601254964076
Energy: 1.5180297940050973
Energy: 1.402449312681853
Energy: 1.5180297940050973
Energy: 1.4284502316303764
Energy: 1.5391573082621495
Energy: 1.4944794708867466
Energy: 1.5391573082621495
Energy: 1.4284502316303764
Energy: 1.539157308261383
Energy: 1.4180922661254243
Energy: 1.5115341002438205
Energy: 1.4924380116083786
Energy: 1.5115341002438205
Energy: 1.4180922661261912
Energy: 1.511534100243054
Energy: 1.4901619606670329
Energy: 1.500088079251899
Energy: 1.4899238738428229
Energy: 1.5000880792541986
Energy: 1.4901619606670329
Energy: 1.5000880792534323
Energy: 1.4868607997421037
Energy: 1.5113273861259537
Energy: 1.4312613546884734
Energy: 1.5113273861259537
Energy: 1.486860799741337
Energy: 1.5113273861259537
Energy: 1.4944351239243536
Energy: 1.539205616284021
Energy: 1.4284741254024573
Energy: 1.539205616284021
Energy: 1.4944351239243536
Energy: 1.539205616284021
Energy: 1.4944899079654759
Energy: 1.5180018927692038
Energy: 1.4024828705980918
Energy: 1.5180018927692038
Energy: 1.4944899079647092
Energy: 1.5180018927692038
Energy: 1.4251923285770949
Energy: 1.5089907726867668
Energy: 1.3972680779369984
Energy: 1.5089907726867668
Energy: 1.4251923285770949
Energy: 1.5089907726867668
Energy: 1.4279288423007939
Energy: 1.657127859251637
Energy: 1.8434008625701936
Energy: 1.6571278592524037
Energy: 1.4279288423007939
Energy: 1.6571278592524037
Energy: 1.4010397808635193
Energy: 1.6081481480032729
Energy: 1.7242193017954512
Energy: 1.6081481480032729
Energy: 1.4010397808635193
Energy: 1.6081481480032729
Energy: 1.4210143445915182
Energy: 1.5082450500500557
Energy: 1.4025395760458912
Energy: 1.5082450500508227
Energy: 1.4210143445922847
Energy: 1.5082450500508227
Energy: 1.4962608191416515
Energy: 1.6754894252753787
Energy: 1.3973579730286192
Energy: 1.6754894252776784
Energy: 1.4962608191408853
Energy: 1.6754894252769121

minimum gb energy = 1.3948870620322134 eV
minimum distance =  2.18279846478679 Angstroms
sigma value = 81


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

Energy: 1.4429888549034735
Energy: 1.4462762215521732
Energy: 1.6005763676248619
Energy: 1.446276221551309
Energy: 1.4429888549034735
Energy: 1.4462762215510527
Energy: 1.4447476963239003
Energy: 1.443787751119252
Energy: 1.4430793013495116
Energy: 1.4437877511183876
Energy: 1.4447476963227803
Energy: 1.443787751118964
Energy: 1.4430656146903855
Energy: 1.4459679691814582
Energy: 1.4441358934020643
Energy: 1.44596796918117
Energy: 1.4430656146903855
Energy: 1.4459679691808818
Energy: 1.7735201001552277
Energy: 1.4462762215521732
Energy: 1.4429888549034735
Energy: 1.4462762215518852
Energy: 1.7735201001552277
Energy: 1.446276221551597
Energy: 1.4430793013495116
Energy: 1.4437877511195403
Energy: 1.4447476963236123
Energy: 1.4437877511197963
Energy: 1.4430793013495116
Energy: 1.443787751119252
Energy: 1.4441358934012323
Energy: 1.44596796918117
Energy: 1.4430656146903855
Energy: 1.445967969181746
Energy: 1.444135893400112
Energy: 1.4459679691814582
Energy: 1.4429888549034735
Energy: 1.4462762215518852
Energy: 1.7735201001546832
Energy: 1.446276221551597
Energy: 1.4429888549034735
Energy: 1.4462762215518852
Energy: 1.444747696322204
Energy: 1.4437877511186759
Energy: 1.4430793013495116
Energy: 1.443787751118964
Energy: 1.444747696323356
Energy: 1.4437877511195403
Energy: 1.4430656146906737
Energy: 1.44596796918117
Energy: 1.4441358934003998
Energy: 1.445967969181746
Energy: 1.4430656146903855
Energy: 1.4459679691814582
Energy: 1.6002278066400184
Energy: 1.446276221551309
Energy: 1.4429888549034735
Energy: 1.4462762215518852
Energy: 1.6002278066400184
Energy: 1.4462762215521732

minimum gb energy = 1.4429888549034735 eV
minimum distance =  2.28530751570632 Angstroms
sigma value = 3


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

Energy: 1.7977696002839174
Energy: 1.7929949331469217
Energy: 1.4033179560708884
Energy: 1.7929949331469217
Energy: 1.79776960028476
Energy: 1.7929949331469217
Energy: 1.5670121707471472
Energy: 1.4320006400975602
Energy: 1.3688645901522882
Energy: 1.4320006400967171
Energy: 1.5670121707471472
Energy: 1.4320006400967171
Energy: 1.4023535262782778
Energy: 1.4048031551659994
Energy: 1.5788860309316506
Energy: 1.404803155161785
Energy: 1.4023535262782778
Energy: 1.404803155161785
Energy: 1.6056971796974024
Energy: 1.7873100404044409
Energy: 1.4243166256589666
Energy: 1.7873100404027549
Energy: 1.6056971796856014
Energy: 1.7873100404035978
Energy: 1.4016092818231618
Energy: 1.4061784819897742
Energy: 1.5799661574869457
Energy: 1.4061784819889314
Energy: 1.4016092818231618
Energy: 1.4061784819914602
Energy: 1.5875801779228849
Energy: 1.4771877698943108
Energy: 1.371504548865161
Energy: 1.4771877698934677
Energy: 1.5875801779228849
Energy: 1.4771877698926248
Energy: 1.4015548509146356
Energy: 1.4061940946833622
Energy: 1.589880310001256
Energy: 1.4061940946842049
Energy: 1.4015548509146356
Energy: 1.4061940946842049
Energy: 1.4017455215806678
Energy: 1.7872330039792519
Energy: 1.4204621905466706
Energy: 1.7872330039775663
Energy: 1.4017455215806678
Energy: 1.7872330039775663
Energy: 1.4038443972240358
Energy: 1.4039802355618165
Energy: 1.7786124284058502
Energy: 1.4039802355618165
Energy: 1.4038443972240358
Energy: 1.4039802355626594
Energy: 1.4048309308020914
Energy: 1.4319579124432529
Energy: 1.3724930724557867
Energy: 1.4319579124457817
Energy: 1.4048309308012485
Energy: 1.4319579124457817
Energy: 1.789011271991909
Energy: 1.4789582483829136
Energy: 1.4288333317776494
Energy: 1.4789582483820707
Energy: 1.789011271991909
Energy: 1.4789582483820707
Energy: 1.789423006311917
Energy: 1.4665175206288013
Energy: 1.3705270611938722
Energy: 1.4665175206279581
Energy: 1.7894230063127599
Energy: 1.4665175206279581
Energy: 1.404734519805264
Energy: 1.5074899108148774
Energy: 1.3708934436375975
Energy: 1.5074899108140347
Energy: 1.404734519805264
Energy: 1.5074899108140347
Energy: 1.4041128793709532
Energy: 1.6639687738295017
Energy: 1.4219129963865278
Energy: 1.6639687738269728
Energy: 1.4041128793709532
Energy: 1.6639687738269728
Energy: 1.4008505022929187
Energy: 1.4804143537577237
Energy: 1.4205491676623085
Energy: 1.4804143537568808
Energy: 1.4008505022929187
Energy: 1.4804143537568808
Energy: 1.400986140563734
Energy: 1.4331218308905482
Energy: 1.369849297753381
Energy: 1.433121830893077
Energy: 1.400986140563734
Energy: 1.43312183089392
Energy: 1.4007717253533072
Energy: 1.4329718931926967
Energy: 1.3699633045180426
Energy: 1.4329718931926967
Energy: 1.4007717253533072
Energy: 1.4329718931926967
Energy: 1.4009049756892076
Energy: 1.499010219941477
Energy: 1.4206835996527465
Energy: 1.4990102199423199
Energy: 1.4009049756892076
Energy: 1.4990102199423199
Energy: 1.4041850996923961
Energy: 1.4754916210459028
Energy: 1.4207430630233984
Energy: 1.475491621044217
Energy: 1.4041850996923961
Energy: 1.475491621044217
Energy: 1.4038931252855722
Energy: 1.432762521431214
Energy: 1.3704652861444222
Energy: 1.4327625214328998
Energy: 1.4038931252855722
Energy: 1.4327625214328998
Energy: 1.789026291415299
Energy: 1.5968985877300095
Energy: 1.3707658365985467
Energy: 1.5968985877300095
Energy: 1.789026291415299
Energy: 1.5968985877300095
Energy: 1.790574036434034
Energy: 1.4787998238487943
Energy: 1.4287567944187174
Energy: 1.478799823852166
Energy: 1.790574036434034
Energy: 1.478799823853009
Energy: 1.4044798906090272
Energy: 1.431803611360468
Energy: 1.3710945756572266
Energy: 1.4318036113562533
Energy: 1.4044798906081843
Energy: 1.4318036113562533
Energy: 1.4037240360415573
Energy: 1.4040922895003698
Energy: 1.7787487373420678
Energy: 1.4040922895003698
Energy: 1.4037240360407144
Energy: 1.4040922895003698
Energy: 1.401146658577263
Energy: 1.5022302842298492
Energy: 1.4211451065193443
Energy: 1.5022302842264772
Energy: 1.401146658577263
Energy: 1.5022302842264772
Energy: 1.4008185909069024
Energy: 1.6154169325779317
Energy: 1.4798798826567285
Energy: 1.6154169325804608
Energy: 1.4008185909069024
Energy: 1.6154169325796177
Energy: 1.401192123955972
Energy: 1.4342349282796596
Energy: 1.371978454545152
Energy: 1.4342349282788167
Energy: 1.4011921239551286
Energy: 1.4342349282788167
Energy: 1.400769686358639
Energy: 1.4680338432713471
Energy: 1.7798815791161575
Energy: 1.4680338432696614
Energy: 1.400769686358639
Energy: 1.4680338432705042
Energy: 1.5073227385248091
Energy: 1.5793422769967413
Energy: 1.4210654989473332
Energy: 1.5793422769942125
Energy: 1.5073227385248091
Energy: 1.5793422769950554
Energy: 1.4025128812111896
Energy: 1.4052268035925912
Energy: 1.5800723243462886
Energy: 1.4052268035900624
Energy: 1.4025128812111896
Energy: 1.4052268035909055
Energy: 1.6148659600506663
Energy: 1.4320746830906943
Energy: 1.3701148613492553
Energy: 1.4320746830873226
Energy: 1.614865960051509
Energy: 1.4320746830881657
Energy: 1.7888676748739634
Energy: 1.793490423869338
Energy: 1.42973373880199
Energy: 1.7934904238710239
Energy: 1.7888676748739634
Energy: 1.7934904238710239
Energy: 1.567055808422521
Energy: 1.432061379313204
Energy: 1.3687179038951947
Energy: 1.4320613793123609
Energy: 1.567055808422521
Energy: 1.432061379313204

minimum gb energy = 1.3687179038951947 eV
minimum distance =  2.24110471206224 Angstroms
sigma value = 67


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

Energy: 1.3809593515410075
Energy: 1.847784683379151
Energy: 1.6421451942388618
Energy: 1.847784683379151
Energy: 1.3809593515410075
Energy: 1.847784683379151
Energy: 1.8241253677645781
Energy: 1.352174132178967
Energy: 1.3281057721986602
Energy: 1.3521741321777663
Energy: 1.8241253677633769
Energy: 1.3521741321777663
Energy: 1.3468050306171913
Energy: 1.4358813016276784
Energy: 1.580101216125705
Energy: 1.4358813016288796
Energy: 1.346805030618392
Energy: 1.4358813016288796
Energy: 1.8420715357158557
Energy: 1.6172274697150897
Energy: 1.330794384864674
Energy: 1.6172274697162905
Energy: 1.8420715357146549
Energy: 1.6172274697150897
Energy: 1.327748592360669
Energy: 1.8784074180583243
Energy: 1.8290835036423418
Energy: 1.8784074180583243
Energy: 1.327748592360669
Energy: 1.8784074180583243
Energy: 1.3273697129863826
Energy: 1.7129316922112265
Energy: 1.3283468198479673
Energy: 1.7129316922112265
Energy: 1.3273697129863826
Energy: 1.7129316922112265
Energy: 1.3467173279117668
Energy: 1.3520075676451413
Energy: 1.3538760192967054
Energy: 1.3520075676451413
Energy: 1.3467173279105658
Energy: 1.3520075676451413
Energy: 1.3477391549725242
Energy: 1.637252254914879
Energy: 1.8322814784553003
Energy: 1.637252254914879
Energy: 1.3477391549725242
Energy: 1.637252254914879
Energy: 1.3507711880446187
Energy: 1.3873407327227818
Energy: 1.8318032140032312
Energy: 1.3873407327215808
Energy: 1.3507711880446187
Energy: 1.3873407327215808
Energy: 1.3560575061106552
Energy: 1.3525711445526234
Energy: 1.3513854306477864
Energy: 1.3525711445538247
Energy: 1.3560575061106552
Energy: 1.3525711445538247
Energy: 1.33073217675316
Energy: 1.5578889211566989
Energy: 1.3531024912755483
Energy: 1.5578889211554978
Energy: 1.33073217675316
Energy: 1.5578889211554978
Energy: 1.3348669835479512
Energy: 1.3945911852696466
Energy: 1.335035792184164
Energy: 1.394591185270848
Energy: 1.3348669835479512
Energy: 1.394591185270848
Energy: 1.3532754611716185
Energy: 1.5576064253019444
Energy: 1.33072869828703
Energy: 1.5576064253019444
Energy: 1.3532754611704174
Energy: 1.5576064253019444
Energy: 1.3515973430395778
Energy: 1.3526530218462136
Energy: 1.3560536486723143
Energy: 1.3526530218474144
Energy: 1.3515973430395778
Energy: 1.3526530218462136
Energy: 1.8322071955592734
Energy: 1.387630118954831
Energy: 1.350869071793435
Energy: 1.3876301189536302
Energy: 1.8322071955592734
Energy: 1.3876301189536302
Energy: 1.8327572262968554
Energy: 1.637179341431255
Energy: 1.3475876234651991
Energy: 1.6371793414300542
Energy: 1.8327572262968554
Energy: 1.6371793414300542
Energy: 1.354122309372462
Energy: 1.3521512954930317
Energy: 1.3472910553614421
Energy: 1.3521512954930317
Energy: 1.354122309372462
Energy: 1.3521512954942327
Energy: 1.3283715949875754
Energy: 1.7129113793389583
Energy: 1.3273720265453908
Energy: 1.7129113793401594
Energy: 1.328371594986374
Energy: 1.7129113793401594
Energy: 1.828860950375657
Energy: 1.8783277748246563
Energy: 1.3277849657106964
Energy: 1.8783277748258576
Energy: 1.828860950375657
Energy: 1.8783277748258576
Energy: 1.330333400642472
Energy: 1.6167958180981725
Energy: 1.8459672483779728
Energy: 1.6167958180981725
Energy: 1.3303334006412713
Energy: 1.6167958180981725
Energy: 1.582821486828077
Energy: 1.4358813016300807
Energy: 1.3471763322422776
Energy: 1.4358813016312815
Energy: 1.5828214868304793
Energy: 1.4358813016312815
Energy: 1.3283144511235883
Energy: 1.3521266458315824
Energy: 1.8265903765496136
Energy: 1.3521266458303816
Energy: 1.3283144511235883
Energy: 1.3521266458303816
Energy: 1.641445934502043
Energy: 1.8477846833803522
Energy: 1.3809593515410075
Energy: 1.8477846833803522
Energy: 1.641445934502043
Energy: 1.8477846833803522

minimum gb energy = 1.3273697129863826 eV
minimum distance =  2.23144968958659 Angstroms
sigma value = 33


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

Energy: 1.6147576981046674
Energy: 1.9143818689124417
Energy: 1.8205783026108187
Energy: 1.9143818689124417
Energy: 1.6147576981054295
Energy: 1.9143818689124417
Energy: 1.7590631855386871
Energy: 1.5937167373715786
Energy: 1.2677775659836945
Energy: 1.5937167373708165
Energy: 1.7590631855379253
Energy: 1.5937167373700547
Energy: 1.2701269306969782
Energy: 1.3493366563582252
Energy: 1.4656274740449688
Energy: 1.3493366563589873
Energy: 1.2701269306969782
Energy: 1.3493366563589873
Energy: 1.3439637332066658
Energy: 1.4187020617784214
Energy: 1.2797788469205023
Energy: 1.4187020617776598
Energy: 1.3439637332066658
Energy: 1.4187020617776598
Energy: 1.5674920353785997
Energy: 1.6404696983039078
Energy: 1.5523892031672697
Energy: 1.6404696983054314
Energy: 1.5674920353785997
Energy: 1.6404696983054314
Energy: 1.5651641967910384
Energy: 1.3856083424342256
Energy: 1.2704466412768198
Energy: 1.3856083424357493
Energy: 1.5651641967895147
Energy: 1.4780167326494882
Energy: 1.2691659011537522
Energy: 1.2925357167951776
Energy: 1.288114902596066
Energy: 1.2925357167951776
Energy: 1.2691659011537522
Energy: 1.2925357167951776
Energy: 1.2865524075982893
Energy: 1.2674738037701399
Energy: 1.5649376691080983
Energy: 1.2674738037701399
Energy: 1.2865524075982893
Energy: 1.2674738037701399
Energy: 1.5539038835740053
Energy: 1.490075427463563
Energy: 1.5658848335981834
Energy: 1.490075427463563
Energy: 1.5539038835740053
Energy: 1.490075427464325
Energy: 1.2754758400736488
Energy: 1.2920907473099448
Energy: 1.2693364236018156
Energy: 1.2864890150372508
Energy: 1.2754758400736488
Energy: 1.2920907473099448
Energy: 1.2647694548020372
Energy: 1.2898895275185316
Energy: 1.2918813576102441
Energy: 1.2898895275185316
Energy: 1.2647694548020372
Energy: 1.2898895275177698
Energy: 1.2629763535129468
Energy: 1.3369546494162923
Energy: 1.7990355593529697
Energy: 1.3369546494162923
Energy: 1.2629763535129468
Energy: 1.3369546494162923
Energy: 1.5721665900061768
Energy: 1.6476173834673578
Energy: 1.605834896498711
Energy: 1.6476173834673578
Energy: 1.572166590005415
Energy: 1.6476173834673578
Energy: 1.2678692970419838
Energy: 1.291582167939039
Energy: 1.2722193952472447
Energy: 1.2915821679398007
Energy: 1.2678692970412218
Energy: 1.2915821679405626
Energy: 1.5523801468424028
Energy: 1.3475773791080348
Energy: 1.2649216518562876
Energy: 1.3475773791072727
Energy: 1.5523801468424028
Energy: 1.3475773791072727
Energy: 1.2798326578689612
Energy: 1.5668949170771738
Energy: 1.5472643422399697
Energy: 1.5668949170771738
Energy: 1.2798326578689612
Energy: 1.5668949170771738
Energy: 1.8212691058909696
Energy: 1.9184403688861034
Energy: 1.5804493060726108
Energy: 1.9184403688861034
Energy: 1.8212691058902077
Energy: 1.9184403688861034
Energy: 1.2647857901929953
Energy: 1.2926353367672012
Energy: 1.5928736753063957
Energy: 1.2926353367656773
Energy: 1.2647857901929953
Energy: 1.2926353367656773
Energy: 1.533593792029414
Energy: 1.2946290140334096
Energy: 1.265231784304501
Energy: 1.2946290140341714
Energy: 1.533593792029414
Energy: 1.2946290140341714
Energy: 1.5734851036341364
Energy: 1.6359830721409216
Energy: 1.2881661504134898
Energy: 1.6359830721393978
Energy: 1.573485103634898
Energy: 1.6359830721386357
Energy: 1.7566266885603752
Energy: 1.4742160397481672
Energy: 1.2782550248851863
Energy: 1.4742160397474051
Energy: 1.7566266885603752
Energy: 1.4742160397481672
Energy: 1.2649666572037936
Energy: 1.293051479899788
Energy: 1.5524806217616165
Energy: 1.293051479901312
Energy: 1.2649666572037936
Energy: 1.293051479901312
Energy: 1.2940262773207256
Energy: 1.2895747545482106
Energy: 1.2659172751793826
Energy: 1.2895747545482106
Energy: 1.2940262773207256
Energy: 1.2895747545482106
Energy: 1.603746672692438
Energy: 1.4747033709236377
Energy: 1.2631142348789202
Energy: 1.4747033709243997
Energy: 1.603746672692438
Energy: 1.4747033709236377
Energy: 1.8683363432630864
Energy: 1.3345317212030428
Energy: 1.2657941023730692
Energy: 1.3345317212030428
Energy: 1.8683363432623246
Energy: 1.3345317212038046
Energy: 1.2921789110840458
Energy: 1.5894254137077024
Energy: 1.2631252166449054
Energy: 1.5894254137061783
Energy: 1.292178911083284
Energy: 1.5894254137061783
Energy: 1.2687088083900588
Energy: 1.2922931528824952
Energy: 1.5537163862537675
Energy: 1.292293152884019
Energy: 1.2687088083900588
Energy: 1.2922931528832573
Energy: 1.5649710990714867
Energy: 1.4792916220147436
Energy: 1.2752483112877728
Energy: 1.4792916220155052
Energy: 1.5649710990714867
Energy: 1.4792916220155052
Energy: 1.5689301244890703
Energy: 1.265927873112564
Energy: 1.2869001329235363
Energy: 1.2659278731110404
Energy: 1.5689301244890703
Energy: 1.265927873111802
Energy: 1.2911676505425782
Energy: 1.2931415384190599
Energy: 1.2647456473870775
Energy: 1.2931415384190599
Energy: 1.2911676505425782
Energy: 1.293141538419822
Energy: 1.2693042301343946
Energy: 1.4793382842651968
Energy: 1.546987139143571
Energy: 1.4793382842644345
Energy: 1.2693042301343946
Energy: 1.4793382842651968
Energy: 1.5527882256695256
Energy: 1.6358477499282185
Energy: 1.573556985713394
Energy: 1.6358477499137418
Energy: 1.5527882256695256
Energy: 1.6358477499396475
Energy: 1.2839016288446505
Energy: 1.56691655977075
Energy: 1.6079723934436823
Energy: 1.5669165597715116
Energy: 1.2839016288446505
Energy: 1.5669165597715116
Energy: 1.7348505474597844
Energy: 1.3472009967283631
Energy: 1.2652766805416567
Energy: 1.347200996729125
Energy: 1.7348505474597844
Energy: 1.347200996729125
Energy: 1.2730352988043347
Energy: 1.59401393231194
Energy: 1.4111920694153564
Energy: 1.59401393231194
Energy: 1.2730352988043347
Energy: 1.59401393231194
Energy: 1.5719827983918584
Energy: 1.642182852580445
Energy: 1.608730775171359
Energy: 1.642182852580445
Energy: 1.5719827983903345
Energy: 1.6421828525789208
Energy: 1.265447415937166
Energy: 1.7542169102518936
Energy: 1.770918515666668
Energy: 1.7542169102511318
Energy: 1.265447415937166
Energy: 1.7542169102511318

minimum gb energy = 1.2629763535129468 eV
minimum distance =  2.22744391193915 Angstroms
sigma value = 41


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

Energy: 1.1045358155835097
Energy: 1.0692794054754065
Energy: 1.922813581692382
Energy: 1.0692794054754065
Energy: 1.1045358155835097
Energy: 1.0692794054733261
Energy: 1.7955330836033296
Energy: 1.068831365119737
Energy: 1.067052386759497
Energy: 1.068831365119737
Energy: 1.7955330836033296
Energy: 1.068831365119737
Energy: 1.104566993236118
Energy: 1.2829755909880864
Energy: 1.2913735324877837
Energy: 1.2829755909901668
Energy: 1.104566993236118
Energy: 1.2829755909901668
Energy: 1.810722094691791
Energy: 1.0683473914419408
Energy: 1.067153681407774
Energy: 1.0683473914461015
Energy: 1.810722094689711
Energy: 1.0683473914461015
Energy: 1.1040969130794889
Energy: 1.552544293155193
Energy: 1.0676792974968208
Energy: 1.5525442931572733
Energy: 1.1040969130815694
Energy: 1.5525442931572733
Energy: 1.1031101553668443
Energy: 1.1089382966813328
Energy: 1.0677718301430656
Energy: 1.1089382966834131
Energy: 1.1031101553689249
Energy: 1.1089382966834131
Energy: 1.815349988073941
Energy: 1.0681767312142603
Energy: 1.067612965802094
Energy: 1.0681767312121802
Energy: 1.815349988073941
Energy: 1.0681767312121802
Energy: 1.1024541842552287
Energy: 1.0687631127289117
Energy: 1.0674983816460093
Energy: 1.0687631127289117
Energy: 1.1024541842552287
Energy: 1.0687631127289117
Energy: 1.7839058673691783
Energy: 1.111821557526615
Energy: 1.0674848175958942
Energy: 1.1118215575245347
Energy: 1.7839058673691783
Energy: 1.1118215575245347
Energy: 1.100802322000007
Energy: 1.544874637097184
Energy: 1.0679782056555631
Energy: 1.544874637090943
Energy: 1.100802322000007
Energy: 1.544874637090943
Energy: 1.7856198679756243
Energy: 1.068132527400822
Energy: 1.0670129403268611
Energy: 1.0681325273945812
Energy: 1.7856198679756243
Energy: 1.0681325273945812
Energy: 1.100984852890916
Energy: 1.2818953837588745
Energy: 1.7830538123156578
Energy: 1.2818953837588745
Energy: 1.100984852890916
Energy: 1.2818953837588745
Energy: 1.7855964630092782
Energy: 1.068134669619207
Energy: 1.0670109294773191
Energy: 1.0681346696212874
Energy: 1.7855964630092782
Energy: 1.0681346696212874
Energy: 1.1007607145035851
Energy: 1.545870819206035
Energy: 1.0679833783671668
Energy: 1.545870819206035
Energy: 1.1007607145035851
Energy: 1.545870819206035

minimum gb energy = 1.0670109294773191 eV
minimum distance =  2.26558812785944 Angstroms
sigma value = 11


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

Energy: 1.6998293598422956
Energy: 1.3626587250193527
Energy: 1.8141168341047307
Energy: 1.3626587250193527
Energy: 1.6998293598413818
Energy: 1.3626587250193527
Energy: 1.3293764816597233
Energy: 1.736542882320636
Energy: 1.329325581205419
Energy: 1.736542882320636
Energy: 1.3293764816588094
Energy: 1.736542882320636
Energy: 1.3299708855386647
Energy: 1.5325939618481408
Energy: 1.3320711206607365
Energy: 1.5325939618481408
Energy: 1.3299708855386647
Energy: 1.5325939618481408
Energy: 1.3479805877871234
Energy: 1.381579353849974
Energy: 1.3300227134337999
Energy: 1.381579353849974
Energy: 1.3479805877862094
Energy: 1.381579353849974
Energy: 1.330442150120053
Energy: 1.4916751499009198
Energy: 1.348844656666842
Energy: 1.4916751499000058
Energy: 1.3304421501191392
Energy: 1.4916751499009198
Energy: 1.3685280018832306
Energy: 1.5792114399978874
Energy: 1.3298925640548844
Energy: 1.5792114399978874
Energy: 1.3685280018832306
Energy: 1.5792114399988015
Energy: 1.3479637281818833
Energy: 1.6163077747622485
Energy: 1.367144840876645
Energy: 1.6163077747631625
Energy: 1.3479637281818833
Energy: 1.6163077747622485
Energy: 1.3310532695187085
Energy: 1.3812711466053786
Energy: 1.330694462926442
Energy: 1.3812711466053786
Energy: 1.3310532695187085
Energy: 1.3812711466053786
Energy: 1.329436881964091
Energy: 1.460051323164352
Energy: 1.3300100553398353
Energy: 1.4600513231634382
Energy: 1.329436881964091
Energy: 1.4600513231634382
Energy: 1.3292439636065794
Energy: 1.6666922345569393
Energy: 1.3482811768333551
Energy: 1.6666922345560253
Energy: 1.3292439636065794
Energy: 1.6666922345560253
Energy: 1.3483283273984186
Energy: 1.3306032758631916
Energy: 1.52813383495337
Energy: 1.3306032758622777
Energy: 1.3483283273984186
Energy: 1.3306032758641053
Energy: 1.3311112668454768
Energy: 1.506403641562557
Energy: 1.5278716644338808
Energy: 1.506403641562557
Energy: 1.3311112668463907
Energy: 1.506403641562557
Energy: 1.3294526175817034
Energy: 1.5322555654019823
Energy: 1.431053079582137
Energy: 1.5322555654019823
Energy: 1.3294526175817034
Energy: 1.5322555654019823
Energy: 1.3486599364634126
Energy: 1.4601034537884503
Energy: 1.349025985571135
Energy: 1.4601034537884503
Energy: 1.3486599364634126
Energy: 1.4601034537884503
Energy: 1.3300248695408992
Energy: 1.6092957467095244
Energy: 1.3293162563872496
Energy: 1.6092957467095244
Energy: 1.3300248695408992
Energy: 1.6092957467095244
Energy: 1.3484186674131147
Energy: 1.7025389652089589
Energy: 1.3675864504567419
Energy: 1.7025389652089589
Energy: 1.3484186674122007
Energy: 1.7025389652089589
Energy: 1.3672083005787676
Energy: 1.6994524120225976
Energy: 1.3293256602786683
Energy: 1.6994524120225976
Energy: 1.3672083005787676
Energy: 1.6994524120225976
Energy: 1.3293885959492502
Energy: 1.609030484356946
Energy: 1.329928536477498
Energy: 1.6090304843560324
Energy: 1.3293885959501643
Energy: 1.6090304843560324
Energy: 1.3500181295427263
Energy: 1.3822193329802657
Energy: 1.3477435879477624
Energy: 1.3822193329811794
Energy: 1.350018129543619
Energy: 1.3822193329811794
Energy: 1.3296676808700252
Energy: 1.5321667500511469
Energy: 1.3305223129333632
Energy: 1.5321667500511469
Energy: 1.3296676808700252
Energy: 1.5321667500511469
Energy: 1.527859829747072
Energy: 1.5070041287515863
Energy: 1.329698328401211
Energy: 1.5070041287515863
Energy: 1.527859829747072
Energy: 1.5070041287515863
Energy: 1.5280249263924979
Energy: 1.7487301603568797
Energy: 1.3486961177965484
Energy: 1.7487301603559662
Energy: 1.5280249263924979
Energy: 1.7487301603559662
Energy: 1.347904854004734
Energy: 1.6671425220350975
Energy: 1.37212154018488
Energy: 1.6671425220360114
Energy: 1.347904854004734
Energy: 1.6671425220360114
Energy: 1.330173705121294
Energy: 1.4601362548635126
Energy: 1.3298229276974527
Energy: 1.4601362548635126
Energy: 1.330173705121294
Energy: 1.4601362548635126
Energy: 1.3303535715632877
Energy: 1.3809151807573121
Energy: 1.3296747737543335
Energy: 1.3809151807573121
Energy: 1.330353571562374
Energy: 1.3809151807573121
Energy: 1.3750331081947462
Energy: 1.5671416630771309
Energy: 1.3478047397613195
Energy: 1.5671416630771309
Energy: 1.3750331081956602
Energy: 1.5671416630771309
Energy: 1.3294932898202803
Energy: 1.5064213520794105
Energy: 1.3300915146862302
Energy: 1.5064213520803247
Energy: 1.329493289819366
Energy: 1.5064213520803247
Energy: 1.3479241790795797
Energy: 1.5658937151436043
Energy: 1.3687438907664748
Energy: 1.5658937151436043
Energy: 1.3479241790795797
Energy: 1.5658937151436043
Energy: 1.330504917192251
Energy: 1.3813947407787224
Energy: 1.3481368018815898
Energy: 1.3813947407778084
Energy: 1.330504917192251
Energy: 1.3813947407778084
Energy: 1.3295874706569843
Energy: 1.5329535081229364
Energy: 1.331310559584362
Energy: 1.5329535081220225
Energy: 1.3295874706560704
Energy: 1.5329535081220225
Energy: 1.3291073650270502
Energy: 1.736439441002044
Energy: 1.3299230182400672
Energy: 1.7364394410029582
Energy: 1.3291073650270502
Energy: 1.7364394410029582

minimum gb energy = 1.3291073650270502 eV
minimum distance =  2.22681798701786 Angstroms
sigma value = 57


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

Energy: 1.4785204171600805
Energy: 1.4865130214887377
Energy: 1.6317961187530596
Energy: 1.4865130214887377
Energy: 1.4785204171600805
Energy: 1.4865130214887377
Energy: 1.431522265432506
Energy: 1.4828110518625046
Energy: 1.4213699568411036
Energy: 1.4845479960174242
Energy: 1.431522265432506
Energy: 1.4828110518625046
Energy: 1.4218831324889563
Energy: 1.4890862167463987
Energy: 1.421325905349689
Energy: 1.4890862167463987
Energy: 1.4218831324889563
Energy: 1.4890862167463987
Energy: 1.4218040438051043
Energy: 1.5134618944499973
Energy: 1.4219007067431375
Energy: 1.5135773947964373
Energy: 1.4218040438051043
Energy: 1.5134618944434923
Energy: 1.4213233103790903
Energy: 1.4890813140386114
Energy: 1.4217135941098782
Energy: 1.4890813140386114
Energy: 1.4213233103790903
Energy: 1.4890813140386114
Energy: 1.421313961228625
Energy: 1.4828419407887214
Energy: 1.431197016054546
Energy: 1.4828419407887214
Energy: 1.421313961228625
Energy: 1.4828419407887214
Energy: 1.6310477602034654
Energy: 1.4865130214887377
Energy: 1.4785204171600805
Energy: 1.4865130214887377
Energy: 1.6310477602034654
Energy: 1.4865130214887377
Energy: 1.4213699568411036
Energy: 1.4828110518641309
Energy: 1.4315222654341322
Energy: 1.4828110518641309
Energy: 1.4213699568411036
Energy: 1.6318455623686585
Energy: 1.4213259053480627
Energy: 1.4890862167463987
Energy: 1.4218831324905825
Energy: 1.4890862167463987
Energy: 1.4213259053480627
Energy: 1.4890862167463987
Energy: 1.4219007067431375
Energy: 1.5134618944109677
Energy: 1.4218040438051043
Energy: 1.513461894412594
Energy: 1.4219007067431375
Energy: 1.6011178549747138
Energy: 1.4217135941098782
Energy: 1.4890813140369852
Energy: 1.4213233103790903
Energy: 1.4890813140369852
Energy: 1.421713594108252
Energy: 1.4890813140369852
Energy: 1.431197016054546
Energy: 1.4828419407887214
Energy: 1.421313961228625
Energy: 1.4828419407887214
Energy: 1.431197016054546
Energy: 1.4828419407887214
Energy: 1.4785204171600805
Energy: 1.4865130214887377
Energy: 1.6310477602050917
Energy: 1.4865130214887377
Energy: 1.4785204171600805
Energy: 1.4865130214887377
Energy: 1.431522265432506
Energy: 1.4828110518641309
Energy: 1.4213699568411036
Energy: 1.4828110518641309
Energy: 1.4315222654341322
Energy: 1.4828110518625046
Energy: 1.4218831324889563
Energy: 1.4890862167463987
Energy: 1.421325905349689
Energy: 1.4890862167463987
Energy: 1.4218831324889563
Energy: 1.4890862167463987
Energy: 1.4218040438051043
Energy: 1.5134618943605909
Energy: 1.4219007067431375
Energy: 1.5134618943719746
Energy: 1.4218040438051043
Energy: 1.5134618943573386
Energy: 1.4213233103790903
Energy: 1.4890813140386114
Energy: 1.421713594108252
Energy: 1.4890813140386114
Energy: 1.4213233103790903
Energy: 1.4890813140386114

minimum gb energy = 1.421313961228625 eV
minimum distance =  2.26111374394668 Angstroms
sigma value = 9


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

Energy: 1.5779788720307706
Energy: 1.6276027615579232
Energy: 1.5859141059779998
Energy: 1.6276027615565953
Energy: 1.5779788720307706
Energy: 1.6276027615565953
Energy: 1.444013142377305
Energy: 1.5943032763381892
Energy: 1.485915180024899
Energy: 1.5943032763368614
Energy: 1.444013142377305
Energy: 1.5943032763381892
Energy: 1.5000885495540106
Energy: 1.5918394305991
Energy: 1.4871736634010768
Energy: 1.591839430604411
Energy: 1.500088549552683
Energy: 1.591839430604411
Energy: 1.5056195950507956
Energy: 1.5010220351440873
Energy: 1.482918498471111
Energy: 1.5010220351427594
Energy: 1.5056195950507956
Energy: 1.5010220351427594
Energy: 1.4761130238743219
Energy: 1.589362763606011
Energy: 1.4873520128891828
Energy: 1.5893627636086667
Energy: 1.4761130238743219
Energy: 1.5893627636086667
Energy: 1.505738468140932
Energy: 1.501337716726917
Energy: 1.6674083173392629
Energy: 1.5013377167256194
Energy: 1.505738468140932
Energy: 1.501337716726917
Energy: 1.5023972326982007
Energy: 1.5904294228150024
Energy: 1.4874261030743803
Energy: 1.5904294228136746
Energy: 1.5023972326982007
Energy: 1.590429422812347
Energy: 1.5035603774449209
Energy: 1.5540901977485904
Energy: 1.4904445559817483
Energy: 1.5540901977472625
Energy: 1.5035603774449209
Energy: 1.5540901977472625
Energy: 1.5011159374759477
Energy: 1.5786801066445564
Energy: 1.4591134651101623
Energy: 1.5786801066485403
Energy: 1.5011159374759477
Energy: 1.5786801066472123
Energy: 1.5894601962089954
Energy: 1.6504706536663474
Energy: 1.488598013745361
Energy: 1.6504706536676752
Energy: 1.5894601962089954
Energy: 1.6504706536676752
Energy: 1.5013599383643366
Energy: 1.5100791821862631
Energy: 1.4576342316733093
Energy: 1.5100791821849353
Energy: 1.5013599383643366
Energy: 1.5100791821849353
Energy: 1.4990547357451718
Energy: 1.5024366820032726
Energy: 1.4832364970412015
Energy: 1.5024366820032726
Energy: 1.4990547357451718
Energy: 1.5024366820032726
Energy: 1.5008687917200543
Energy: 1.5870099519947007
Energy: 1.5079403083468539
Energy: 1.587009951993373
Energy: 1.5008687917200543
Energy: 1.587009951993373
Energy: 1.4992425263386304
Energy: 1.501922399483667
Energy: 1.4559294292351586
Energy: 1.5019223994863227
Energy: 1.4992425263386304
Energy: 1.5019223994863227
Energy: 1.5858138184628823
Energy: 1.6509214758998179
Energy: 1.4964090030537553
Energy: 1.6509214759024737
Energy: 1.5858138184628823
Energy: 1.6509214759024737
Energy: 1.5003388495475036
Energy: 1.5792320151165056
Energy: 1.456651652592556
Energy: 1.5792320151165056
Energy: 1.5003388495488315
Energy: 1.5792320151165056
Energy: 1.5017754167471244
Energy: 1.5808221309577566
Energy: 1.4937953306592302
Energy: 1.5808221309590844
Energy: 1.5017754167457964
Energy: 1.5808221309590844
Energy: 1.5480077401970262
Energy: 1.5915917783963447
Energy: 1.4886920694954797
Energy: 1.5915917784003284
Energy: 1.5480077401970262
Energy: 1.5915917784003284
Energy: 1.5020619589613398
Energy: 1.5019077542674677
Energy: 1.6582081437366207
Energy: 1.5019077542661396
Energy: 1.502061958960012
Energy: 1.5019077542648118
Energy: 1.5053285868560577
Energy: 1.5881091491156074
Energy: 1.4891493151001982
Energy: 1.5881091491142796
Energy: 1.5053285868560577
Energy: 1.5881091491142796
Energy: 1.5020304905072028
Energy: 1.5017056468117822
Energy: 1.4837559440563122
Energy: 1.5017056468117822
Energy: 1.5020304905072028
Energy: 1.5017056468117822

minimum gb energy = 1.444013142377305 eV
minimum distance =  2.26860467362006 Angstroms
sigma value = 27


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

Energy: 1.6330667469314188
Energy: 1.62490011969718
Energy: 1.6411773519157975
Energy: 1.624900119698299
Energy: 1.6330667469314188
Energy: 1.624900119698299
Energy: 1.525987099695205
Energy: 1.5951127957875724
Energy: 1.469215458921524
Energy: 1.5951127957886917
Energy: 1.525987099695205
Energy: 1.5951127957886917
Energy: 1.4693130915934016
Energy: 1.4831747619448534
Energy: 1.4692149488519648
Energy: 1.4831747619448534
Energy: 1.4693130915922823
Energy: 1.4831747619448534
Energy: 1.5014053741495454
Energy: 1.5805046033365502
Energy: 1.4696858912340154
Energy: 1.5805046033343113
Energy: 1.5014053741495454
Energy: 1.5805046033343113
Energy: 1.4363699624412165
Energy: 1.6036275986595874
Energy: 1.4675564513278698
Energy: 1.6036275986595874
Energy: 1.4363699624412165
Energy: 1.6036275986595874
Energy: 1.4834668493810448
Energy: 1.5159353939031255
Energy: 1.4900039707601767
Energy: 1.5159353939031255
Energy: 1.4834668493810448
Energy: 1.5159353939031255
Energy: 1.4546084868456879
Energy: 1.5494593742702667
Energy: 1.490691732730024
Energy: 1.5494593742702667
Energy: 1.4546084868456879
Energy: 1.5494593742702667
Energy: 1.469570201301516
Energy: 1.580435706997851
Energy: 1.491687412035
Energy: 1.5804357070012085
Energy: 1.469570201301516
Energy: 1.5804357070012085
Energy: 1.570122889786013
Energy: 1.578941973932497
Energy: 1.5438566343778737
Energy: 1.578941973932497
Energy: 1.570122889786013
Energy: 1.578941973932497
Energy: 1.4507408720077104
Energy: 1.6337312923128766
Energy: 1.5142874790321204
Energy: 1.6337312923128766
Energy: 1.4507408720077104
Energy: 1.6337312923128766
Energy: 1.4688886882025585
Energy: 1.61812826634354
Energy: 1.5142318855839958
Energy: 1.61812826634354
Energy: 1.4688886882025585
Energy: 1.61812826634354
Energy: 1.5701975919871831
Energy: 1.5788517214217106
Energy: 1.4840225238815759
Energy: 1.5788517214217106
Energy: 1.5701975919871831
Energy: 1.5788517214217106
Energy: 1.451052450189423
Energy: 1.5403142405204047
Energy: 1.4906943387183167
Energy: 1.540314240518166
Energy: 1.451052450189423
Energy: 1.5403142405192853
Energy: 1.4719394820708163
Energy: 1.5305804421658078
Energy: 1.4915863912842542
Energy: 1.5305804421658078
Energy: 1.4719394820708163
Energy: 1.5305804421658078
Energy: 1.5055925620169106
Energy: 1.5162713976782394
Energy: 1.4901040013546778
Energy: 1.5162713976804778
Energy: 1.5055925620169106
Energy: 1.5162713976804778
Energy: 1.4364438536536774
Energy: 1.6036275986595874
Energy: 1.4676049177029342
Energy: 1.6036275986595874
Energy: 1.4364438536536774
Energy: 1.6036275986595874
Energy: 1.501340569376076
Energy: 1.5811449757541232
Energy: 1.451425788810423
Energy: 1.5811449757541232
Energy: 1.501340569376076
Energy: 1.5811449757541232
Energy: 1.4514438449272127
Energy: 1.6342468697816948
Energy: 1.4691154800328645
Energy: 1.634246869782814
Energy: 1.4514438449283065
Energy: 1.634246869782814
Energy: 1.4769725200467434
Energy: 1.4651937870521454
Energy: 1.4688321199017216
Energy: 1.4651937870521454
Energy: 1.4769725200467434
Energy: 1.4651937870521454
Energy: 1.6330667469314188
Energy: 1.624900119698299
Energy: 1.6392885386508598
Energy: 1.624900119698299
Energy: 1.6330667469314188
Energy: 1.624900119698299
Energy: 1.525987099695205
Energy: 1.5951127957864786
Energy: 1.469215458921524
Energy: 1.5951127957886917
Energy: 1.525987099695205
Energy: 1.5951127957886917
Energy: 1.469313091594521
Energy: 1.483174761943734
Energy: 1.4692149488519648
Energy: 1.483174761943734
Energy: 1.4693130915934016
Energy: 1.4831747619448534
Energy: 1.5014053741495454
Energy: 1.5805046033376693
Energy: 1.4696858912340154
Energy: 1.5805046033354309
Energy: 1.5014053741484263
Energy: 1.5805046033354309
Energy: 1.4363699624400974
Energy: 1.6036275986595874
Energy: 1.4675564513278698
Energy: 1.6036275986595874
Energy: 1.4363699624400974
Energy: 1.6036275986595874
Energy: 1.4834668493810448
Energy: 1.5159353939020062
Energy: 1.490003970761296
Energy: 1.5159353939031255
Energy: 1.4834668493799255
Energy: 1.5159353939042446

minimum gb energy = 1.4363699624400974 eV
minimum distance =  2.26754738202416 Angstroms
sigma value = 19


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

Energy: 1.610890103498739
Energy: 1.4105595024964408
Energy: 1.5712656271626748
Energy: 1.4105595024964408
Energy: 1.6108901034977727
Energy: 1.4105595024964408
Energy: 1.4778379255141165
Energy: 1.5128024234378497
Energy: 1.390678826737085
Energy: 1.5128024234368838
Energy: 1.4778379255150826
Energy: 1.5128024234368838
Energy: 1.3946564470256768
Energy: 1.5687511215489023
Energy: 1.3905919523855779
Energy: 1.56875112154697
Energy: 1.3946564470256768
Energy: 1.56875112154697
Energy: 1.4060306561100009
Energy: 1.4421862803763439
Energy: 1.4079602122733712
Energy: 1.4421862803763439
Energy: 1.4060306561100009
Energy: 1.4421862803763439
Energy: 1.3992003722401012
Energy: 1.47997545916099
Energy: 1.401170885060437
Energy: 1.47997545916099
Energy: 1.3992003722401012
Energy: 1.47997545916099
Energy: 1.3990482249015113
Energy: 1.4957109456944817
Energy: 1.4069703740404107
Energy: 1.4957109456944817
Energy: 1.3990482249015113
Energy: 1.4957109456944817
Energy: 1.3905555601844295
Energy: 1.534207800575468
Energy: 1.4010530368255325
Energy: 1.5342078005764344
Energy: 1.3905555601844295
Energy: 1.5342078005764344
Energy: 1.3904070173529801
Energy: 1.4956864028742436
Energy: 1.4069029252291514
Energy: 1.4956864028732775
Energy: 1.3904070173529801
Energy: 1.4956864028732775
Energy: 1.4061138279503709
Energy: 1.541784045229729
Energy: 1.4483166117917587
Energy: 1.541784045229729
Energy: 1.4061138279503709
Energy: 1.541784045229729
Energy: 1.3994397679859027
Energy: 1.4771720633245573
Energy: 1.3905528206257236
Energy: 1.4771720633245573
Energy: 1.3994397679859027
Energy: 1.4771720633245573
Energy: 1.3909021411699931
Energy: 1.5679286585312042
Energy: 1.4057910080653628
Energy: 1.5679286585302379
Energy: 1.3909021411699931
Energy: 1.5679286585302379
Energy: 1.413172038783724
Energy: 1.5741190726504364
Energy: 1.3906421409493759
Energy: 1.5741190726504364
Energy: 1.413172038783724
Energy: 1.5741190726514027
Energy: 1.4134320092764576
Energy: 1.3771405092544518
Energy: 1.3912749967513125
Energy: 1.3771405092534854
Energy: 1.4134320092764576
Energy: 1.3771405092534854
Energy: 1.4099974803360062
Energy: 1.6129467406691291
Energy: 1.5078818780053989
Energy: 1.6129467406681632
Energy: 1.4099974803360062
Energy: 1.6129467406681632
Energy: 1.4096200322765866
Energy: 1.5406008205136683
Energy: 1.4295647911846883
Energy: 1.5406008205156003
Energy: 1.4096200322765866
Energy: 1.5406008205146344
Energy: 1.4079614991244949
Energy: 1.478763451675397
Energy: 1.3772306976969302
Energy: 1.478763451674431
Energy: 1.4079614991244949
Energy: 1.478763451674431
Energy: 1.3945732362828367
Energy: 1.4946026877869691
Energy: 1.3943855900268443
Energy: 1.494602687787935
Energy: 1.3945732362828367
Energy: 1.494602687787935
Energy: 1.401439306263526
Energy: 1.6241875225018
Energy: 1.3748347720986183
Energy: 1.6241875225037326
Energy: 1.401439306263526
Energy: 1.6241875225037326
Energy: 1.3945169523611276
Energy: 1.4956326581132875
Energy: 1.3944524058781904
Energy: 1.4956326581113553
Energy: 1.3945169523620937
Energy: 1.4956326581113553
Energy: 1.4079512175278965
Energy: 1.4787405952170323
Energy: 1.390260651969625
Energy: 1.4787405952151003
Energy: 1.4079512175278965
Energy: 1.4787405952151003
Energy: 1.4061442160629904
Energy: 1.5719999838423087
Energy: 1.39102840236795
Energy: 1.5719999838423087
Energy: 1.4061442160629904
Energy: 1.5719999838423087
Energy: 1.4120843737138968
Energy: 1.5394392784755981
Energy: 1.508792246927461
Energy: 1.539439278474632
Energy: 1.4120843737138968
Energy: 1.539439278474632
Energy: 1.4784032639460871
Energy: 1.5909113498154537
Energy: 1.3910026295684745
Energy: 1.5909113498154537
Energy: 1.478403263945121
Energy: 1.59091134981642
Energy: 1.4786751734637897
Energy: 1.405627402965074
Energy: 1.3911448893746128
Energy: 1.405627402965074
Energy: 1.4786751734637897
Energy: 1.405627402965074
Energy: 1.4781323064973135
Energy: 1.5394428386572474
Energy: 1.4107080684611835
Energy: 1.5394428386591799
Energy: 1.4781323064973135
Energy: 1.5394428386591799
Energy: 1.3997052454052559
Energy: 1.3871702991700476
Energy: 1.3916096295917533
Energy: 1.3871702991690815
Energy: 1.3997052454042895
Energy: 1.3871702991690815
Energy: 1.4060543186328958
Energy: 1.4790929921133649
Energy: 1.4160632492723317
Energy: 1.4790929921114326
Energy: 1.4060543186328958
Energy: 1.4790929921114326
Energy: 1.3907531090127514
Energy: 1.4954628363658073
Energy: 1.406927883856979
Energy: 1.4954628363667515
Energy: 1.3907531090137173
Energy: 1.4954628363667515
Energy: 1.3906112163639215
Energy: 1.5304109213001131
Energy: 1.4010433738520085
Energy: 1.5304109213010795
Energy: 1.3906112163639215
Energy: 1.5304109213001131

minimum gb energy = 1.3748347720986183 eV
minimum distance =  2.24604261214516 Angstroms
sigma value = 101


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

Energy: 1.4882247814826792
Energy: 1.3427055093785822
Energy: 1.4131945261764032
Energy: 1.3427055093794313
Energy: 1.4882247814826792
Energy: 1.3427055093794313
Energy: 1.3434442312070247
Energy: 1.4692571804932073
Energy: 1.3414442656094947
Energy: 1.469257180492358
Energy: 1.343444231207874
Energy: 1.4692571804932073
Energy: 1.3296777425280877
Energy: 1.497616475606862
Energy: 1.3823138193414808
Energy: 1.497616475606862
Energy: 1.3296777425280877
Energy: 1.497616475606862
Energy: 1.3522217359228303
Energy: 1.4490373103685905
Energy: 1.3292931790991054
Energy: 1.473885248055383
Energy: 1.3522217359219806
Energy: 1.4490373103677414
Energy: 1.3173557806109262
Energy: 1.4325169079391598
Energy: 1.3374905732875948
Energy: 1.4325169079391598
Energy: 1.3173557806109262
Energy: 1.4325169079391598
Energy: 1.3299646357906059
Energy: 1.491612397283896
Energy: 1.317963308927187
Energy: 1.491612397283896
Energy: 1.3299646357906059
Energy: 1.491612397283896
Energy: 1.337737225793861
Energy: 1.5282755093580618
Energy: 1.317359847517807
Energy: 1.528275509358911
Energy: 1.337737225793861
Energy: 1.528275509358911
Energy: 1.3289070004713208
Energy: 1.4902397584416551
Energy: 1.3314727298437499
Energy: 1.5170189876121773
Energy: 1.3289070004713208
Energy: 1.4902397584416551
Energy: 1.3169570675522915
Energy: 1.4913151874267894
Energy: 1.3301025613495716
Energy: 1.4913151874267894
Energy: 1.3169570675514422
Energy: 1.4913151874276385
Energy: 1.316651306627332
Energy: 1.4746869167558312
Energy: 1.3181615375781341
Energy: 1.4746869167558312
Energy: 1.316651306627332
Energy: 1.4746869167558312
Energy: 1.3690048205724354
Energy: 1.4814718309798414
Energy: 1.398819106639144
Energy: 1.4814718309798414
Energy: 1.3690048205724354
Energy: 1.4814718309798414
Energy: 1.3412948740956847
Energy: 1.4974950678569918
Energy: 1.3175253904587279
Energy: 1.4974950678569918
Energy: 1.3412948740956847
Energy: 1.4974950678569918
Energy: 1.3822915833033367
Energy: 1.49762792192405
Energy: 1.3516140384101567
Energy: 1.49762792192405
Energy: 1.3822915833041858
Energy: 1.49762792192405
Energy: 1.3291289750724269
Energy: 1.334018235762808
Energy: 1.341292535166041
Energy: 1.3500442857398112
Energy: 1.3291289750724269
Energy: 1.334018235762808
Energy: 1.3248581512107505
Energy: 1.317200004835492
Energy: 1.341107475390075
Energy: 1.3172000048337935
Energy: 1.3248581512107505
Energy: 1.3172000048397385
Energy: 1.3823650990108889
Energy: 1.3796135168556625
Energy: 1.3290318539751251
Energy: 1.3796135168548131
Energy: 1.3823650990108889
Energy: 1.3796135168548131
Energy: 1.3173765304655742
Energy: 1.449346138951543
Energy: 1.353419026112729
Energy: 1.449346138951543
Energy: 1.3173765304655742
Energy: 1.449346138951543
Energy: 1.3310443656173234
Energy: 1.4322236842311498
Energy: 1.3167483255048646
Energy: 1.4322236842303007
Energy: 1.331044365618173
Energy: 1.4322236842303007
Energy: 1.3293724333733614
Energy: 1.4902715443617478
Energy: 1.3302126167276864
Energy: 1.4902715443617478
Energy: 1.3293724333733614
Energy: 1.4902715443617478
Energy: 1.3183096672461774
Energy: 1.5276344968610267
Energy: 1.316575572625949
Energy: 1.5276344968610267
Energy: 1.3183096672461774
Energy: 1.5276344968610267
Energy: 1.3435264450443827
Energy: 1.432100542663664
Energy: 1.3296707033094173
Energy: 1.4321005426628148
Energy: 1.3435264450435334
Energy: 1.4321005426628148
Energy: 1.3177388576764424
Energy: 1.4904025249318695
Energy: 1.316575636603478
Energy: 1.4904025249318695
Energy: 1.3177388576764424
Energy: 1.4904025249318695
Energy: 1.3296062893561005
Energy: 1.4901652329442674
Energy: 1.3170759387709141
Energy: 1.4901652329442674
Energy: 1.3296062893561005
Energy: 1.4901652329442674
Energy: 1.3520624865035513
Energy: 1.5238892272788513
Energy: 1.3778641342521485
Energy: 1.5238892272797007
Energy: 1.3520624865035513
Energy: 1.5107096344964839
Energy: 1.3170995151485845
Energy: 1.4631851133788545
Energy: 1.32631677029157
Energy: 1.4631851133788545
Energy: 1.3170995151494336
Energy: 1.4631851133797038
Energy: 1.316935740536597
Energy: 1.4376818487396243
Energy: 1.3824112491768943
Energy: 1.4376818487396243
Energy: 1.3169357405357476
Energy: 1.4376818487396243
Energy: 1.3411255181775177
Energy: 1.316998825329568
Energy: 1.3168396384455487
Energy: 1.3169988253287188
Energy: 1.341125518176707
Energy: 1.3169988253287188
Energy: 1.3410908532041945
Energy: 1.3174420016791977
Energy: 1.3182493326870437
Energy: 1.3174420016817456
Energy: 1.341090853205044
Energy: 1.3174420016808963
Energy: 1.527315929771212
Energy: 1.436798607974535
Energy: 1.4231547111417908
Energy: 1.4367986079728368
Energy: 1.527315929771212
Energy: 1.4367986079736859
Energy: 1.3167297480532734
Energy: 1.4639983440889583
Energy: 1.318427511231847
Energy: 1.4639983440889583
Energy: 1.3167297480532734
Energy: 1.4639983440889583
Energy: 1.3534227716718614
Energy: 1.4325731642288648
Energy: 1.3291616287202646
Energy: 1.4325731642280155
Energy: 1.3534227716727105
Energy: 1.4325731642288648
Energy: 1.3171173618523175
Energy: 1.4901777427391052
Energy: 1.3178518739893994
Energy: 1.4901777427399545
Energy: 1.3171173618523175
Energy: 1.4901777427391052
Energy: 1.3171547025564823
Energy: 1.484488388034984
Energy: 1.3295452052179597
Energy: 1.484488388034984
Energy: 1.3171547025564823
Energy: 1.4844883880341349

minimum gb energy = 1.316575572625949 eV
minimum distance =  2.26032973057431 Angstroms
sigma value = 33


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

Energy: 0.01493055908651459
Energy: 0.015889321170175694
Energy: 1.2917191587239985
Energy: 0.015889321170175694
Energy: 0.01493055908651459
Energy: 0.015889321170175694
Energy: 0.015065179790918086
Energy: 0.7115401112110825
Energy: 0.015065179790918086
Energy: 0.7115401112110825
Energy: 0.015065179790918086
Energy: 0.7115401112110825
Energy: 1.4525890564891015
Energy: 0.015889321170175694
Energy: 0.01493055908651459
Energy: 0.015889321170175694
Energy: 1.4525890564911794
Energy: 0.015889321170175694
Energy: 0.015065179790918086
Energy: 0.7115401112110825
Energy: 0.015065179790918086
Energy: 0.7115401112117881
Energy: 0.015065179790918086
Energy: 0.7115401112110825

minimum gb energy = 0.01493055908651459 eV
minimum distance =  2.44499057394331 Angstroms
sigma value = 1