Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349977833563
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018146717812245496
Energy: 0.018439063092483863
Energy: 1.5256452865141195
Energy: 0.018439063092483863
Energy: 0.018439063092483863
Energy: 1.265351706115141
Energy: 0.018439063091822857
Energy: 1.265351706115141
Energy: 1.5256452865147803
Energy: 0.018439063092483863
Energy: 0.018146717812245496
Energy: 0.018439063092483863
Energy: 0.018439063091822857
Energy: 1.265351706115141
Energy: 0.018439063092483863
Energy: 1.265351706115141

minimum gb energy = 0.018146717812245496 eV
minimum distance =  2.42313336511894 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.6103248894824214
Energy: 1.5672589903562821
Energy: 1.483748800341843
Energy: 1.5672589903562821
Energy: 1.469198387044823
Energy: 1.5603706476922723
Energy: 1.47652043843133
Energy: 1.5603706476922723
Energy: 1.4240638734180733
Energy: 1.553167403386347
Energy: 1.5219792338213065
Energy: 1.5531674033871485
Energy: 1.4601791972472549
Energy: 1.5293839896985284
Energy: 1.42549779359355
Energy: 1.5293839896985284
Energy: 1.4333379931212662
Energy: 1.5732577055100987
Energy: 1.4985887451446347
Energy: 1.5732577055100987
Energy: 1.3975821237104227
Energy: 1.7466717696554155
Energy: 1.4018009598921795
Energy: 1.7466717696554155
Energy: 1.4726477542370626
Energy: 1.5491124096159148
Energy: 1.399805066616536
Energy: 1.5491124096167164
Energy: 1.335172027635146
Energy: 1.5748606463011405
Energy: 1.4008647088704949
Energy: 1.5748606463019423
Energy: 1.4245383115241812
Energy: 1.773292257688443
Energy: 1.4839767893261049
Energy: 1.773292257688443
Energy: 1.3896802004139648
Energy: 1.5517405522344994
Energy: 1.327566356538766
Energy: 1.5517405522344994
Energy: 1.4961832686802263
Energy: 1.5343486395298533
Energy: 1.4246494651621755
Energy: 1.5343486395306551
Energy: 1.4968737554324114
Energy: 1.5775867006091522
Energy: 1.406226590106257
Energy: 1.5775867006091522
Energy: 1.474389271306382
Energy: 1.547832870418997
Energy: 1.4752535420762731
Energy: 1.547832870418997
Energy: 1.4399600552249814
Energy: 1.5582681451943556
Energy: 1.4144771395893119
Energy: 1.5582681451951572
Energy: 1.4546761512708177
Energy: 1.5676654747954288
Energy: 1.43632876850058
Energy: 1.5676654747954288
Energy: 1.4534187925092592
Energy: 1.5673360991389995
Energy: 1.4682793883770513
Energy: 1.5673360991398013
Energy: 1.521941142725214
Energy: 1.5530643609025525
Energy: 1.37825060075599
Energy: 1.553064360903354
Energy: 1.4764914538710652
Energy: 1.5175578996345065
Energy: 1.5068689722090436
Energy: 1.5175578996345065
Energy: 1.3500673440035986
Energy: 1.573237945163867
Energy: 1.4046870742003772
Energy: 1.5732379451646683
Energy: 1.5068309865650786
Energy: 1.9854851077497688
Energy: 1.427224729773941
Energy: 1.9854851077497688
Energy: 1.4002463677528998
Energy: 1.5530951373853037
Energy: 1.3423002864083216
Energy: 1.5530951373853037
Energy: 1.4252634774877353
Energy: 1.448886548725229
Energy: 1.4861915508374528
Energy: 1.448886548725229
Energy: 1.4556124521845981
Energy: 1.5736602288419679
Energy: 1.382726647531711
Energy: 1.5736602288419679
Energy: 1.4378592185634176
Energy: 1.548771068956197
Energy: 1.3976407683386698
Energy: 1.548771068956197
Energy: 1.399279315432284
Energy: 1.7470177384153605
Energy: 1.4748308648020978
Energy: 1.7470177384161623
Energy: 1.4285916909279446
Energy: 1.575132632198706
Energy: 1.4131574979820474
Energy: 1.5751326321995076
Energy: 1.4645989484422168
Energy: 1.778941088369324
Energy: 1.4246334450493354
Energy: 1.7789410883701258
Energy: 1.4103916999548718
Energy: 1.5488723541506353
Energy: 1.586995054676111
Energy: 1.5488723541506353
Energy: 1.4680432230878193
Energy: 1.515820254430214
Energy: 1.4694417916431983
Energy: 1.515820254430214
Energy: 1.547816855856104
Energy: 1.568874450603107
Energy: 1.4973162075668258
Energy: 1.568874450603107
Energy: 1.4733517879101534
Energy: 1.5550752857855152
Energy: 1.4744224485893633
Energy: 1.5550752857863168
Energy: 1.4402459329293655
Energy: 1.5481317111112796
Energy: 1.4403057724155783
Energy: 1.5481317111120814
Energy: 1.4333389588177392
Energy: 1.5301175495067723
Energy: 1.4299521274407574
Energy: 1.5301175495067723

minimum gb energy = 1.327566356538766 eV
minimum distance =  2.23788412168935 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.7116960137976076
Energy: 1.669295716634951
Energy: 1.5847847398823027
Energy: 1.669295716633123
Energy: 1.5212996950740951
Energy: 1.6175874244625168
Energy: 1.5370147920622639
Energy: 1.6175874244625168
Energy: 1.4773514611727263
Energy: 1.6723787696049541
Energy: 1.5622986050013108
Energy: 1.672378769605868
Energy: 1.475273203485213
Energy: 1.491007816742253
Energy: 1.45471478366319
Energy: 1.491007816740425
Energy: 1.4754772443233846
Energy: 1.6414474669824075
Energy: 1.5307830480944518
Energy: 1.6414474669842356
Energy: 1.5889799038515922
Energy: 1.6416651330856484
Energy: 1.4915145397599683
Energy: 1.6416651330838203
Energy: 1.5215302603075875
Energy: 1.495013753062685
Energy: 1.475798445272216
Energy: 1.495013753060857
Energy: 1.3828192891244249
Energy: 1.6722277557271858
Energy: 1.445970034032534
Energy: 1.672227755726272
Energy: 1.4757816225820235
Energy: 2.1286532019667512
Energy: 1.5757186332585222
Energy: 2.1286532019676647
Energy: 1.4655762056520194
Energy: 1.6731425277926146
Energy: 1.5377002174343404
Energy: 1.6731425277926146
Energy: 1.521605757385271
Energy: 1.592322265831825
Energy: 1.5424691681820828
Energy: 1.592322265833653
Energy: 1.4313142992228884
Energy: 1.6535536740402739
Energy: 1.5058290410903623
Energy: 1.6535536740394017
Energy: 1.511336132001647
Energy: 1.6361725505818066
Energy: 1.5272923439307986
Energy: 1.6361725505818066
Energy: 1.5116511478963475
Energy: 1.6362166658209716
Energy: 1.4807172920674139
Energy: 1.6362166658200576
Energy: 1.4310790071112796
Energy: 1.6534919363376823
Energy: 1.5058284902748629
Energy: 1.6534919363376823
Energy: 1.521735846008551
Energy: 1.5923195277300766
Energy: 1.5369759245493253
Energy: 1.5923195277309905
Energy: 1.4655678098406772
Energy: 1.6731310416069765
Energy: 1.4089374721565213
Energy: 1.6731310416033205
Energy: 1.4759133717366062
Energy: 2.128547525775683
Energy: 1.5755825046186132
Energy: 2.128547525777511
Energy: 1.3828317386847913
Energy: 1.6722199392970265
Energy: 1.4456811584107299
Energy: 1.6722199392961123
Energy: 1.521381181785658
Energy: 1.4949681397994927
Energy: 1.4547466983347472
Energy: 1.4949681397985786
Energy: 1.588880085483955
Energy: 1.641393059498245
Energy: 1.4248880379194897
Energy: 1.6413930595000732
Energy: 1.4756839211895787
Energy: 1.6414510315532174
Energy: 1.5326002342119511
Energy: 1.6414510315513893
Energy: 1.4754699404657068
Energy: 1.4912755772876682
Energy: 1.4500507967143477
Energy: 1.4912755772894963
Energy: 1.477620480233719
Energy: 1.67240111357628
Energy: 1.4999713278820226
Energy: 1.672401113578108
Energy: 1.5214120514674543
Energy: 1.6177318728755647
Energy: 1.5366630624946023
Energy: 1.6177318728755647
Energy: 1.7116960137976076
Energy: 1.669295716634951
Energy: 1.5847847398832169
Energy: 1.6692957166322089
Energy: 1.521299695075009
Energy: 1.6175874244634303
Energy: 1.53701479206135
Energy: 1.6175874244634303
Energy: 1.4773514611727263
Energy: 1.6723787696049541
Energy: 1.5063322238118706
Energy: 1.672378769605868
Energy: 1.475273203485213
Energy: 1.4910078167413392
Energy: 1.45471478366319
Energy: 1.4910078167376828

minimum gb energy = 1.3828192891244249 eV
minimum distance =  2.23231887402616 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.5954646216235977
Energy: 1.738838777621041
Energy: 1.7523083475555061
Energy: 1.738838777621041
Energy: 1.6172028393611286
Energy: 1.67175843505202
Energy: 1.5545579580294382
Energy: 1.67175843505202
Energy: 1.5523213292759994
Energy: 1.7944231389120435
Energy: 1.56207763667043
Energy: 1.7944231389120435
Energy: 1.5769067264101615
Energy: 1.571033508340376
Energy: 1.509828039224775
Energy: 1.5710335083414384
Energy: 1.5108672410623696
Energy: 1.7403772762156988
Energy: 1.6135285188277464
Energy: 1.7403772762146363
Energy: 1.682524887643549
Energy: 1.7923167238963476
Energy: 1.7827042952079024
Energy: 1.7923167238963476
Energy: 1.6153416217736953
Energy: 1.5637600163107344
Energy: 1.548532455586512
Energy: 1.5637600163107344
Energy: 1.8005814945150593
Energy: 1.7460490131169677
Energy: 1.4622515097543884
Energy: 1.7460490131169677
Energy: 1.5482087553949482
Energy: 1.6685505922968553
Energy: 1.6148440147785512
Energy: 1.6685505922979178
Energy: 1.5586971156094211
Energy: 1.7931229956628207
Energy: 1.4999104110232242
Energy: 1.7931229956628207
Energy: 1.612738372541072
Energy: 1.736522492698421
Energy: 1.6146913361591448
Energy: 1.7365224926994838
Energy: 1.5713488102153286
Energy: 1.7383675534294427
Energy: 1.5528073238381197
Energy: 1.7383675534294427
Energy: 1.5619253906934176
Energy: 1.6906883076646055
Energy: 1.4986287546899322
Energy: 1.6906883076646055
Energy: 1.5476880766505576
Energy: 1.5571907647021996
Energy: 1.627984241129648
Energy: 1.5571907647021996
Energy: 1.6202003940557972
Energy: 1.7481775554815777
Energy: 1.4598381752232952
Energy: 1.7481775554826404
Energy: 1.6159841109355795
Energy: 1.563686030785486
Energy: 1.5098017920259017
Energy: 1.5636860307865488
Energy: 1.440046250094662
Energy: 1.7946622579990956
Energy: 1.4398853416600843
Energy: 1.7946622579990956
Energy: 1.5097214179255756
Energy: 1.6786329383100032
Energy: 1.6156468186430122
Energy: 1.6786329383100032
Energy: 1.5490225782138962
Energy: 1.6957157565584533
Energy: 1.5108884129135602
Energy: 1.6957157565584533
Energy: 1.6286055486279443
Energy: 1.7921785729157398
Energy: 1.564164937426532
Energy: 1.7921785729168025
Energy: 1.5636895481529094
Energy: 1.6695979416925855
Energy: 1.5529476348636548
Energy: 1.6695979416925855
Energy: 1.596174882891625
Energy: 1.7404697661777488
Energy: 1.6792039730515058
Energy: 1.7404697661777488
Energy: 1.615150348103314
Energy: 1.6792809357530023
Energy: 1.552931017217918
Energy: 1.6792809357530023
Energy: 1.5514214677148301
Energy: 1.7928853541483396
Energy: 1.5587868820290243
Energy: 1.7928853541483396
Energy: 1.6168015334245793
Energy: 1.5703526767708393
Energy: 1.5104496715752456
Energy: 1.5703526767708393

minimum gb energy = 1.4398853416600843 eV
minimum distance =  2.23763067051299 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.6664597576037037
Energy: 1.6677531633766574
Energy: 1.9380461333122383
Energy: 1.667753163377925
Energy: 1.5957866785265118
Energy: 1.7581039274248835
Energy: 1.6209491400961715
Energy: 1.7581039274248835
Energy: 1.6302019356712814
Energy: 1.6835270249759733
Energy: 1.6534039311627662
Energy: 1.6835270249759733
Energy: 1.926839850944977
Energy: 1.6422143681625831
Energy: 1.5388491326453282
Energy: 1.6422143681638506
Energy: 1.7841076490869907
Energy: 1.7600891208308571
Energy: 1.9195232124938082
Energy: 1.7600891208308571
Energy: 1.488098478476792
Energy: 1.6821026982243297
Energy: 1.6661736349248593
Energy: 1.6821026982243297
Energy: 1.6166982844990996
Energy: 1.539347214507981
Energy: 1.5399510615882235
Energy: 1.539347214507981
Energy: 1.7064489369645075
Energy: 1.6824464825769254
Energy: 1.5229811411297056
Energy: 1.6824464825756578
Energy: 1.61758332179246
Energy: 1.7624007433252007
Energy: 1.72088859587048
Energy: 1.7624007433252007
Energy: 1.6577135244704126
Energy: 1.6662054233137162
Energy: 1.6657506878586754
Energy: 1.6662054233137162
Energy: 1.5547253237893948
Energy: 1.779217895966312
Energy: 1.622872308701268
Energy: 1.7792178959650442
Energy: 1.7725517589281214
Energy: 1.7421405272783965
Energy: 1.5389553856852334
Energy: 1.7421405272783965
Energy: 1.4880770830451568
Energy: 1.6836928728611666
Energy: 1.7051589578863227
Energy: 1.6836928728611666
Energy: 1.6260104439454452
Energy: 1.6334653393632264
Energy: 1.6200154338005743
Energy: 1.6334653393644938
Energy: 1.488098355592221
Energy: 1.6850576624513314
Energy: 1.7063421714407598
Energy: 1.6850576624513314
Energy: 1.7727401797240026
Energy: 1.7418058909213636
Energy: 1.5389313118293981
Energy: 1.7418058909213636
Energy: 1.5536402062693886
Energy: 1.7795026456740364
Energy: 1.654699090030419
Energy: 1.7795026456727687
Energy: 1.6576563510472007
Energy: 1.6662743410596452
Energy: 1.6657590043755175
Energy: 1.666274341058378
Energy: 1.6173759272327772
Energy: 1.762186543009013
Energy: 1.6220660790336539
Energy: 1.762186543009013
Energy: 1.7063909142578457
Energy: 1.6823205083794355
Energy: 1.522973956696451
Energy: 1.6823205083794355
Energy: 1.616655787186161
Energy: 1.5391938330341703
Energy: 1.5398345476852944
Energy: 1.5391938330329027

minimum gb energy = 1.4880770830451568 eV
minimum distance =  2.33014267758819 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.5628848290143762
Energy: 1.9195957105285764
Energy: 1.7874467131599958
Energy: 1.9195957105285764
Energy: 1.5351995402761993
Energy: 1.5782663824246703
Energy: 1.5145781399925269
Energy: 1.5782663824246703
Energy: 1.7317775727166278
Energy: 1.6932061257294526
Energy: 1.5143618412413544
Energy: 1.6932061257294526
Energy: 1.5621112947647404
Energy: 1.8296677972027129
Energy: 1.8011787039799851
Energy: 1.8296677972042805
Energy: 1.8008907262186835
Energy: 1.5346606429974048
Energy: 1.5150604794612232
Energy: 1.5346606429974048
Energy: 1.5142475064500547
Energy: 1.6932498192621974
Energy: 1.7299291108393207
Energy: 1.6932498192621974
Energy: 1.5149665134304227
Energy: 1.7605974900126617
Energy: 1.5139475394751527
Energy: 1.7605974900126617
Energy: 1.7798211554483392
Energy: 1.9222159572786195
Energy: 1.5619311102380853
Energy: 1.9222159572786195
Energy: 1.514607672429826
Energy: 1.663856401170105
Energy: 1.5356523480518611
Energy: 1.6638564011685375
Energy: 1.846990907284995
Energy: 1.6928764363238378
Energy: 1.7298774898357858
Energy: 1.6928764363238378
Energy: 1.636210644069221
Energy: 1.6606545393122825
Energy: 2.0605822981858988
Energy: 1.6606545393107148
Energy: 1.5142492988543121
Energy: 1.6948741715901516
Energy: 1.8462570862280228
Energy: 1.6948741715917193
Energy: 1.7868954714668523
Energy: 1.642390107887506
Energy: 1.5139795555980327
Energy: 1.642390107887506
Energy: 1.5145467618998827
Energy: 1.7978205272804344
Energy: 1.779117727324727
Energy: 1.7978205272976775
Energy: 1.5148900713949145
Energy: 1.8865762987165131
Energy: 1.7797241525640317
Energy: 1.886576298714946
Energy: 1.5347431141927244
Energy: 1.6930774909505588
Energy: 1.514335801152602
Energy: 1.693077490934919
Energy: 1.513997995965583
Energy: 1.6589613777076413
Energy: 1.844818385462491
Energy: 1.6589613777076413

minimum gb energy = 1.5139475394751527 eV
minimum distance =  2.31936916476648 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.7043185910845118
Energy: 1.7052874690582738
Energy: 2.0828090268900907
Energy: 1.7052874690582738
Energy: 1.803794524197357
Energy: 1.7299187395369453
Energy: 1.5456598964499202
Energy: 1.729918739537833
Energy: 1.9900162014686804
Energy: 1.6951740670375595
Energy: 1.5448410782225206
Energy: 1.6951740670384472
Energy: 1.5471780108702333
Energy: 1.706153774744737
Energy: 1.7826156464202256
Energy: 1.706153774744737
Energy: 1.8799536582983158
Energy: 1.6679436441674442
Energy: 1.6233324669697924
Energy: 1.6679436441656688
Energy: 1.5653491699207516
Energy: 1.7277697136337264
Energy: 1.9221625812960323
Energy: 1.7277697136328385
Energy: 1.548418817528278
Energy: 1.7282667121462947
Energy: 1.641060738929605
Energy: 1.7282667121471824
Energy: 1.9334150605373688
Energy: 1.7262210060281216
Energy: 1.5631137620174238
Energy: 1.7262210060281216
Energy: 1.5640373124091473
Energy: 1.72778108662936
Energy: 1.8680600090491262
Energy: 1.72778108662936
Energy: 1.9792345292988769
Energy: 1.6695721149996205
Energy: 1.5460271045381146
Energy: 1.6695721149978449
Energy: 1.5513028654836294
Energy: 1.7630980733250068
Energy: 1.9198868931533315
Energy: 1.7630980733250068
Energy: 1.6519063699021284
Energy: 1.7286650629016382
Energy: 1.6524111600046405
Energy: 1.7286650629016382
Energy: 1.7947884663376565
Energy: 1.7044318956461597
Energy: 1.711651360636756
Energy: 1.7044318956461597
Energy: 1.5455312852951373
Energy: 1.751752732382916
Energy: 1.804672092314411
Energy: 1.7517527323820283
Energy: 1.734839279109581
Energy: 1.7286983474362563
Energy: 1.566603119394828
Energy: 1.7286983474362563
Energy: 1.799539439128805
Energy: 1.7046552670300632
Energy: 1.7941321756786897
Energy: 1.7046552670300632
Energy: 1.6405005497490581
Energy: 1.7962005957919331
Energy: 1.9926914209012874
Energy: 1.7962005957919331
Energy: 1.9160183638741897
Energy: 1.696025335074947
Energy: 1.5653559820036702
Energy: 1.696025335075835
Energy: 1.7235811974655304
Energy: 1.794391648507632
Energy: 1.6604397298282714
Energy: 1.7943916485067444
Energy: 1.6400897013982587
Energy: 1.8377615265583211
Energy: 1.6935921153907196
Energy: 1.8377615265565457
Energy: 1.6947712925541965
Energy: 1.6953864533784069
Energy: 1.8416623649491874
Energy: 1.6953864533775191
Energy: 1.6407026316965638
Energy: 1.938051782678513
Energy: 2.029320765782829
Energy: 1.938051782678513
Energy: 1.8560176185955255
Energy: 1.705927367642933
Energy: 1.544643723162832
Energy: 1.7059273676420454
Energy: 1.6532205296796052
Energy: 1.7944396606415138
Energy: 1.7942333000765414
Energy: 1.794439660640626
Energy: 1.722558450380753
Energy: 1.6957085594431995
Energy: 1.9629511280806895
Energy: 1.6957085594431995
Energy: 1.9328237816671225
Energy: 1.7379359156100749
Energy: 1.5467150115375652
Energy: 1.737935915615402
Energy: 1.5873714976351536
Energy: 1.805578490486057
Energy: 2.063067516643472
Energy: 1.805578490486057
Energy: 1.80067141589486
Energy: 1.728329548855569
Energy: 1.8427166876274406
Energy: 1.7283295488564567
Energy: 1.9347474355242782
Energy: 1.8402189351247935
Energy: 1.54774449673296
Energy: 1.8402189351247935
Energy: 1.5629192886584256
Energy: 1.791056291485975
Energy: 1.9160476923561705
Energy: 1.791056291485975

minimum gb energy = 1.544643723162832 eV
minimum distance =  2.21608639158391 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.4471046466623911
Energy: 1.4467474804736127
Energy: 2.025172354926926
Energy: 1.4467474804736127
Energy: 1.85105693902154
Energy: 1.6518229523058794
Energy: 1.817394556244281
Energy: 1.6518229523058794
Energy: 1.4783669840933717
Energy: 1.4465139097074318
Energy: 1.8154123640544033
Energy: 1.4465139097094755
Energy: 1.4783979181047435
Energy: 1.4465407166426483
Energy: 1.6819454886228706
Energy: 1.4465407166426483
Energy: 1.8510291577576996
Energy: 1.6517799939796411
Energy: 1.783303826906423
Energy: 1.6517799939796411
Energy: 1.4471046466644348
Energy: 1.4467474804736127
Energy: 2.025156911356693
Energy: 1.4467474804736127
Energy: 1.85105693902154
Energy: 1.6518229523058794
Energy: 1.817394556244281
Energy: 1.6518229523058794
Energy: 1.4783669840933717
Energy: 1.4465139097094755
Energy: 1.8154123640544033
Energy: 1.4465139097094755
Energy: 1.4783979181026996
Energy: 1.4465407166426483
Energy: 1.6533702837586695
Energy: 1.4465407166426483
Energy: 1.8510291577576996
Energy: 1.6517799939775974
Energy: 1.7708699672944834
Energy: 1.6517799939796411
Energy: 1.4471046466644348
Energy: 1.4467474804736127
Energy: 2.2007521067387734
Energy: 1.4467474804736127
Energy: 1.85105693902154
Energy: 1.6518229523058794
Energy: 1.817394556242284
Energy: 1.6518229523058794
Energy: 1.4783669840933717
Energy: 1.4465139097074318
Energy: 1.8154123640544033
Energy: 1.4465139097094755

minimum gb energy = 1.4465139097074318 eV
minimum distance =  2.29529889966486 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.6636771747785908
Energy: 1.8648759817734977
Energy: 2.264865795405685
Energy: 1.864875981774254
Energy: 1.993881122061897
Energy: 1.7421850544392843
Energy: 1.6491302524642373
Energy: 1.7421850544407975
Energy: 1.65018456841031
Energy: 1.5770836876139995
Energy: 1.5972629090810273
Energy: 1.5770836876139995
Energy: 1.9044955179201941
Energy: 1.9232715028989325
Energy: 1.650021991631036
Energy: 1.9232715029012015
Energy: 1.9922135918277586
Energy: 1.6940906789280041
Energy: 1.6444849357440783
Energy: 1.6940906789234655
Energy: 1.6447343625816906
Energy: 1.6480997752412945
Energy: 1.9610937937021713
Energy: 1.6480997752428073
Energy: 2.2356644882360843
Energy: 1.6623565304466874
Energy: 1.6690209893722128
Energy: 1.6623565304466874
Energy: 1.6723574162800858
Energy: 1.9391890333747763
Energy: 1.8620006801928357
Energy: 1.9391890333747763
Energy: 1.6537079912546007
Energy: 1.9341262956064054
Energy: 1.6447713891180238
Energy: 1.9341262956033791
Energy: 1.6951339296799983
Energy: 1.730116606981813
Energy: 1.7112013304281952
Energy: 1.730116606981813
Energy: 1.645648352279433
Energy: 1.8373068690331709
Energy: 2.1744259549798106
Energy: 1.8373068690361969
Energy: 1.9536614752434796
Energy: 1.79119373516205
Energy: 1.6638386907191285
Energy: 1.7911937351612934
Energy: 1.635910541763143
Energy: 1.7134528168116197
Energy: 2.0227208216587806
Energy: 1.7134528168146452
Energy: 1.916515528588032
Energy: 1.8387279586698146
Energy: 1.6025395830482578
Energy: 1.838727958665276
Energy: 1.6391155007133758
Energy: 1.7828503245985707
Energy: 1.9040524825531229
Energy: 1.7828503245978145
Energy: 1.6398226592850655
Energy: 1.9331975892963311
Energy: 1.8508384833408218
Energy: 1.9331975892963311
Energy: 1.7860070714730818
Energy: 1.9008964095998042
Energy: 1.6409927630784853
Energy: 1.9008964095982912
Energy: 1.6586147540809564
Energy: 1.6620491273148355
Energy: 2.0510697938273155
Energy: 1.6620491273140792
Energy: 2.0496671468830474
Energy: 1.7846420608192834
Energy: 1.6486229788705304
Energy: 1.7846420608170137
Energy: 1.6319465630910919
Energy: 1.7166006283963346
Energy: 1.8572416554255684
Energy: 1.7166006283940651
Energy: 1.865995458955031
Energy: 1.9223820335218964
Energy: 1.8735858409658086
Energy: 1.9223820335234092
Energy: 1.7964079620692777
Energy: 1.6012011683621132
Energy: 1.6733651667501548
Energy: 1.6012011683606004
Energy: 1.6439701359168089
Energy: 1.739628067029069
Energy: 1.752877802103911
Energy: 1.739628067032851
Energy: 2.136008870371452
Energy: 1.7956052054499128
Energy: 1.6436063330570585
Energy: 1.795605205452182
Energy: 1.6361903263972197
Energy: 1.8044560445520488
Energy: 2.1556452289742487
Energy: 1.8044560445520488
Energy: 1.7513570709555693
Energy: 1.5759155413182802
Energy: 1.633567063922674
Energy: 1.575915541319793
Energy: 1.8307739425873248
Energy: 1.8971592409380922
Energy: 1.902102678245092
Energy: 1.8971592409350662
Energy: 1.6644619061244201
Energy: 1.8617633861092253
Energy: 1.90818557715208
Energy: 1.8617633861092253
Energy: 1.7813064966252063
Energy: 1.5754049058097825
Energy: 1.6320512571104115
Energy: 1.5754049058097825
Energy: 1.6359770871760082
Energy: 1.8243179923496164
Energy: 2.1372484714073283
Energy: 1.8243179923481037
Energy: 2.0341862545958853
Energy: 1.7491493293825038
Energy: 1.642118068329032
Energy: 1.7491493293802343
Energy: 1.6499840890191317
Energy: 1.7335372992382676
Energy: 1.7162010773583771
Energy: 1.7335372992367546
Energy: 1.645745580266831
Energy: 1.80162500609822
Energy: 1.6378914445543837
Energy: 1.80162500609822
Energy: 1.8909908450443293
Energy: 1.7517731062499207
Energy: 1.8449173141345152
Energy: 1.7517731062506772
Energy: 1.6304900759464451
Energy: 2.007179792574286
Energy: 2.11016731278293
Energy: 2.0071797925757986

minimum gb energy = 1.5754049058097825 eV
minimum distance =  2.23454088873523 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.6993508261671302
Energy: 1.6994927718120856
Energy: 2.1043239778059917
Energy: 1.6994927718120856
Energy: 1.8104507400832552
Energy: 1.7299153293830951
Energy: 1.578833060130526
Energy: 1.7299153293830951
Energy: 1.671339353696355
Energy: 1.578766989637249
Energy: 1.6110256659887985
Energy: 1.578766989637249
Energy: 1.7017081238066967
Energy: 1.8312009747797553
Energy: 1.711888695056353
Energy: 1.8312009747797553
Energy: 1.7269729002028005
Energy: 1.750159914074726
Energy: 1.611016252345858
Energy: 1.750159914074726
Energy: 1.705873280718673
Energy: 1.5777498896921685
Energy: 2.1557955194830467
Energy: 1.5777498896933686
Energy: 2.1510356875656202
Energy: 1.8429026194066453
Energy: 1.6731749247134435
Energy: 1.8429026194078455
Energy: 1.6743099085444393
Energy: 1.57809207428106
Energy: 2.0597124925112307
Energy: 1.57809207428106
Energy: 2.1341757969146093
Energy: 1.5788447755526027
Energy: 1.5781464764995965
Energy: 1.578844775553803
Energy: 1.5795203700388207
Energy: 1.809285383608838
Energy: 1.5789103155773538
Energy: 1.809285383608838
Energy: 1.633183109444088
Energy: 1.5785186355582463
Energy: 2.059343054732475
Energy: 1.5785186355570462
Energy: 1.8236967551799235
Energy: 1.8300077483613508
Energy: 1.7119657390938527
Energy: 1.8300077483601507
Energy: 1.6528148043522184
Energy: 1.70101331365506
Energy: 1.9508488199997904
Energy: 1.7010133136538599
Energy: 2.1192340878655176
Energy: 1.813009665430543
Energy: 1.7071400383936295
Energy: 1.813009665430543
Energy: 1.659170308240635
Energy: 1.8474431513601552
Energy: 1.9575872323838985
Energy: 1.8474431513613556
Energy: 2.058967448927179
Energy: 1.5787815755624892
Energy: 1.6744912579119653
Energy: 1.5787815755636891
Energy: 1.698456947074174
Energy: 1.7002293639096842
Energy: 1.6715645402070594
Energy: 1.7002293639096842
Energy: 1.6995297931895998
Energy: 1.868393739552889
Energy: 1.6722168075826418
Energy: 1.868393739552889
Energy: 1.8672331654797814
Energy: 1.5779056402775085
Energy: 1.6716659176593862
Energy: 1.5779056402787086
Energy: 1.6643420418448793
Energy: 1.7833766841182925
Energy: 2.116437940905703
Energy: 1.7833766841170926
Energy: 2.1401226178877395
Energy: 1.6261863246300414
Energy: 1.6992069536232755
Energy: 1.6261863246312416
Energy: 1.7121518531792865
Energy: 1.745620596150727
Energy: 1.890331910906066
Energy: 1.745620596150727

minimum gb energy = 1.5777498896921685 eV
minimum distance =  2.2429672847294 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.6076072327831061
Energy: 1.6077440834750911
Energy: 2.2127371858058407
Energy: 1.6077440834784857
Energy: 2.0746321647161654
Energy: 1.7629170640644276
Energy: 1.6517040858526235
Energy: 1.7629170640644276
Energy: 1.6647311877948168
Energy: 1.85792744043795
Energy: 1.6167352465704197
Energy: 1.8579274404387986
Energy: 1.6156116694831322
Energy: 1.7156483929327153
Energy: 1.6517361592556916
Energy: 1.7156483929310182
Energy: 1.6592059720091403
Energy: 1.7197988375973132
Energy: 1.601077057782678
Energy: 1.7197988375990103
Energy: 1.6578917441279541
Energy: 1.6076559483692134
Energy: 2.1034948258837685
Energy: 1.6076559483666677
Energy: 1.799714141958967
Energy: 1.8715872441242483
Energy: 1.6224646515514212
Energy: 1.8715872441954968
Energy: 1.6596170357143745
Energy: 1.608118189610872
Energy: 2.1817948366393134
Energy: 1.608118189610023
Energy: 1.8114698170051768
Energy: 1.698055683084753
Energy: 1.6679546389781543
Energy: 1.6980556830856017
Energy: 1.6575392159475353
Energy: 1.7157042611440125
Energy: 1.7912678434093416
Energy: 1.715704261140618
Energy: 1.6135199391005328
Energy: 1.8575619679373683
Energy: 1.6020755745083928
Energy: 1.8575619679365198
Energy: 1.612124179754723
Energy: 1.7196861178100726
Energy: 1.6012666546237266
Energy: 1.719686117808375
Energy: 1.6090641556004688
Energy: 1.6095332337743726
Energy: 1.6653147052477262
Energy: 1.6095332337743726
Energy: 1.6168098440216103
Energy: 1.60106906370052
Energy: 1.6659383371245018
Energy: 1.6010690637022174
Energy: 1.6501156291788641
Energy: 1.918704604498676
Energy: 1.845295030358238
Energy: 1.9187046044969789
Energy: 2.2621211218438915
Energy: 1.6000939376010392
Energy: 1.6733681923416914
Energy: 1.6000939376027363
Energy: 1.6502479854809542
Energy: 1.7196303465960616
Energy: 1.805738607519029
Energy: 1.7196303465935154
Energy: 1.6327339175511273
Energy: 1.8988261032442961
Energy: 1.6664600817660753
Energy: 1.8988261032459934
Energy: 1.64954505596889
Energy: 1.8564132511149656
Energy: 1.6831780696975367
Energy: 1.856413251115814
Energy: 1.6500962663314944
Energy: 1.7331338527896716
Energy: 1.604352636271395
Energy: 1.73313385279052
Energy: 1.6131712725236846
Energy: 1.8597490694521637
Energy: 1.6677823409269594
Energy: 1.8597490694504664
Energy: 1.6583710949313684
Energy: 1.8547033823752361
Energy: 1.7876506608738731
Energy: 1.8547033823726904
Energy: 2.013665420329113
Energy: 1.7032652273778814
Energy: 1.6539742351303095
Energy: 1.7032652273787299
Energy: 1.6133305616449065
Energy: 1.6083355009046663
Energy: 2.1087483173374673
Energy: 1.6083355009063633
Energy: 1.645722192798341
Energy: 1.733528614427576
Energy: 1.628536228240284
Energy: 1.7335286144241815
Energy: 1.6150498588102724
Energy: 1.8544524798547253
Energy: 1.6024822045536817
Energy: 1.8544524798513309
Energy: 1.6594242720296186
Energy: 1.718352375778488
Energy: 1.630453267450736
Energy: 1.7183523757793364
Energy: 1.613736157719559
Energy: 1.7186545459469877
Energy: 1.6518645386366104
Energy: 1.7186545459478364
Energy: 1.6592166464657807
Energy: 1.6087421356850293
Energy: 1.8184655251087432
Energy: 1.6087421356858778
Energy: 1.6122764743858857
Energy: 1.707648120777112
Energy: 1.6497013104908274
Energy: 1.7076481207762633
Energy: 1.6592135277508377
Energy: 1.6087338141901475
Energy: 2.0472289590636454
Energy: 1.608733814190996

minimum gb energy = 1.6000939376010392 eV
minimum distance =  2.23342291178069 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.5140852563432472
Energy: 1.505428912589167
Energy: 1.9841724341475948
Energy: 1.5054289125897249
Energy: 1.4563845756684997
Energy: 1.5152818035582598
Energy: 1.511614115983145
Energy: 1.5152818035585556
Energy: 1.627756181644321
Energy: 1.5822285210064808
Energy: 1.7746149420118174
Energy: 1.5822285210059224
Energy: 1.5115139427252393
Energy: 1.4575630549420973
Energy: 1.5121290546509694
Energy: 1.4575630549418013
Energy: 1.5144540221102156
Energy: 1.5547374976693393
Energy: 1.7746625556036664
Energy: 1.5547374976696349
Energy: 1.5058289310860782
Energy: 1.5833981672735846
Energy: 1.50593959462367
Energy: 1.5833981672738802
Energy: 1.5065260639520048
Energy: 1.5547485517640194
Energy: 1.5144359612913458
Energy: 1.5547485517640194
Energy: 1.511818650438499
Energy: 1.4562779775301766
Energy: 1.5115271997764554
Energy: 1.4562779775287313
Energy: 1.7745888655662887
Energy: 1.582143247926955
Energy: 1.774447511478199
Energy: 1.5821432479266593

minimum gb energy = 1.4562779775287313 eV
minimum distance =  2.28922846433451 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.5184676401739836
Energy: 1.523337167452293
Energy: 2.0718335385294613
Energy: 1.523337167450763
Energy: 1.7705449388406196
Energy: 1.6084282214954466
Energy: 1.536471886656392
Energy: 1.6084282214946448
Energy: 1.4907681718938939
Energy: 1.516954122569212
Energy: 1.796046211954355
Energy: 1.516954122569212
Energy: 1.5451035390366874
Energy: 1.5994019689427725
Energy: 1.4965258511409272
Energy: 1.5994019689435741
Energy: 1.5159700367441664
Energy: 1.6084964909531856
Energy: 1.742018258980426
Energy: 1.6084964909531856
Energy: 1.6162594822888772
Energy: 1.5255905213796146
Energy: 1.4907013749205404
Energy: 1.5255905213804162
Energy: 1.4803668833284926
Energy: 1.603942097201004
Energy: 1.479697481269383
Energy: 1.603942097200202
Energy: 1.4902007307106082
Energy: 1.5262341956889716
Energy: 1.4955676307674186
Energy: 1.5262341956889716
Energy: 1.487991153233372
Energy: 1.6052680334646638
Energy: 1.523467227433296
Energy: 1.6052680334646638
Energy: 1.4914924985660225
Energy: 1.6040190371719447
Energy: 1.5415396994135397
Energy: 1.6040190371727467
Energy: 1.5467900831625934
Energy: 1.6012137525680024
Energy: 1.4938729870256404
Energy: 1.601213752568804
Energy: 1.528182111869179
Energy: 1.5086804067801063
Energy: 1.5242082033710902
Energy: 1.5086804067809079
Energy: 1.6864283301658018
Energy: 1.5249333953505404
Energy: 1.5227447572854342
Energy: 1.524933395351342
Energy: 1.5136512196290501
Energy: 1.524222938306213
Energy: 1.5107219331637596
Energy: 1.5242229383054111
Energy: 1.8572030381990403
Energy: 1.488134987280168
Energy: 1.4936290217763557
Energy: 1.4881349872793663
Energy: 1.493627248269106
Energy: 1.5171828036297008
Energy: 1.8887507251395625
Energy: 1.5171828036297008
Energy: 1.7463926226821604
Energy: 1.5103012164107519
Energy: 1.5186274070752521
Energy: 1.5103012164115537
Energy: 1.498943364922057
Energy: 1.525066313152649
Energy: 2.041244068500308
Energy: 1.5250663131534508
Energy: 1.5274296226494337
Energy: 1.6059739839903118
Energy: 1.4866114977384528
Energy: 1.6059739839903118
Energy: 1.4928296747468974
Energy: 1.6950290348170818
Energy: 1.5026547279944829
Energy: 1.69502903481628
Energy: 1.539928733205921
Energy: 1.597497860393406
Energy: 1.49178112722067
Energy: 1.597497860393406
Energy: 1.543578410686571
Energy: 1.60413203782276
Energy: 1.487133749240608
Energy: 1.6041320378219583
Energy: 1.532260258298028
Energy: 1.5259512425758837
Energy: 1.5436109465083712
Energy: 1.5259512425766855
Energy: 1.5235940954502905
Energy: 1.5341183409924846
Energy: 1.5339159385603804
Energy: 1.5341183409924846
Energy: 1.5228892028220653
Energy: 1.5182649430518904
Energy: 1.4965253994627337
Energy: 1.5182649430510886
Energy: 1.510346060749899
Energy: 1.524284475890752
Energy: 1.5187838570861587
Energy: 1.524284475891554
Energy: 1.5309087085020658
Energy: 1.48256684209485
Energy: 1.5875331476096886
Energy: 1.4825668420940483
Energy: 1.9131534585297687
Energy: 1.6107221241999627
Energy: 1.4937598590077164
Energy: 1.6107221241999627
Energy: 1.505657841330919
Energy: 1.4986332874012722
Energy: 1.7506021132364662
Energy: 1.4986332873996688
Energy: 2.0476441772871783
Energy: 1.5243939763108454
Energy: 1.4988166956208462
Energy: 1.5243939763124488
Energy: 1.4880638253896188
Energy: 1.502523152559893
Energy: 1.773830651762728
Energy: 1.5025231525614966
Energy: 1.7441318986571128
Energy: 1.6072949001743218
Energy: 1.5061562810779603
Energy: 1.6072949001759251
Energy: 1.4966209516187756
Energy: 1.6019632805871626
Energy: 1.539683688173238
Energy: 1.601963280586361

minimum gb energy = 1.479697481269383 eV
minimum distance =  2.22515027254724 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.6321577323123246
Energy: 1.632376203900824
Energy: 2.0102392791468717
Energy: 1.632376203901932
Energy: 1.5976749011599816
Energy: 1.426410079357729
Energy: 1.4598517639707098
Energy: 1.426410079357729
Energy: 1.4433235059033669
Energy: 1.469745071759409
Energy: 1.7201695184219368
Energy: 1.469745071758301
Energy: 1.4557064958432908
Energy: 1.5710743975732597
Energy: 1.4594019598448202
Energy: 1.571074397572151
Energy: 1.4404706172591688
Energy: 1.4690896002702494
Energy: 1.7859623796823856
Energy: 1.4690896002702494
Energy: 1.431458225593155
Energy: 1.4710676149187065
Energy: 1.4597005108429042
Energy: 1.4710676149198147
Energy: 1.4394019172507788
Energy: 1.6211909482204439
Energy: 1.4630680714615658
Energy: 1.6211909482204439
Energy: 1.4398244090427204
Energy: 1.4735916896521242
Energy: 1.5321040090995497
Energy: 1.4735916896521242
Energy: 1.4689545909911688
Energy: 1.4794774647798086
Energy: 1.4884103831683246
Energy: 1.4794774647798086
Energy: 1.4691512147214878
Energy: 1.480560223957479
Energy: 1.5120067520520188
Energy: 1.4805602239508286
Energy: 1.4403908027137098
Energy: 1.4729052066441473
Energy: 1.486223473944224
Energy: 1.4729052066419304
Energy: 1.4396714151322834
Energy: 1.60531832434932
Energy: 1.6686951904007195
Energy: 1.6053183243515368
Energy: 1.4310187712458096
Energy: 1.574645833975642
Energy: 1.461544122679464
Energy: 1.5746458339767506
Energy: 1.4313730194081487
Energy: 1.4763511747661384
Energy: 1.469541195700144
Energy: 1.4763511747672469
Energy: 1.6168801058130609
Energy: 1.5708560148852235
Energy: 1.461598933951191
Energy: 1.5708560148852235
Energy: 1.4433237103788756
Energy: 1.4702334780393647
Energy: 1.8426105707197273
Energy: 1.470233478040473
Energy: 2.0239549474392917
Energy: 1.4276899265510392
Energy: 1.456373216949314
Energy: 1.4276899265510392
Energy: 1.6321577323123246
Energy: 1.632376203900824
Energy: 2.010241278244252
Energy: 1.632376203900824
Energy: 1.5976749011588736
Energy: 1.4264100793566208
Energy: 1.4598517639707098
Energy: 1.426410079357729
Energy: 1.4433235059033669
Energy: 1.469745071759409
Energy: 1.7201695184230454
Energy: 1.469745071758301
Energy: 1.4557064958455077
Energy: 1.571074397572151
Energy: 1.4594019598459285
Energy: 1.5710743975732597
Energy: 1.4404706172602775
Energy: 1.4690896002702494
Energy: 1.7859623796846023
Energy: 1.4690896002702494
Energy: 1.431458225593155
Energy: 1.4710676149187065
Energy: 1.4597005108417958
Energy: 1.4710676149187065
Energy: 1.4394019172496701
Energy: 1.6211909482204439
Energy: 1.4630680714626743
Energy: 1.6211909482215523

minimum gb energy = 1.4264100793566208 eV
minimum distance =  2.23550518337093 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.4606812903587938
Energy: 1.461286684563328
Energy: 1.8831981781342801
Energy: 1.4612866845626429
Energy: 1.6593785818871043
Energy: 1.4493291442522391
Energy: 1.4332725780790219
Energy: 1.449329144252924
Energy: 1.4297939032658542
Energy: 1.4462249008842198
Energy: 1.7585445639810142
Energy: 1.4462249008849049
Energy: 1.5833663540429084
Energy: 1.7271289100959009
Energy: 1.427941229870724
Energy: 1.7271289100952156
Energy: 1.4311956578427367
Energy: 1.4608409381183727
Energy: 1.8117450799635406
Energy: 1.4608409381190575
Energy: 1.4670765931219085
Energy: 1.7374401243622908
Energy: 1.4431125800644529
Energy: 1.7374401243629756
Energy: 1.4605935898188633
Energy: 1.5310866659401954
Energy: 1.4455817160552213
Energy: 1.5310866659408806
Energy: 1.456763634013311
Energy: 1.7471703936099303
Energy: 1.4273820832070896
Energy: 1.7471703936085603
Energy: 1.462563495697596
Energy: 1.747175633581435
Energy: 1.5088234882475653
Energy: 1.7471756335800648
Energy: 1.4454641951496376
Energy: 1.746013991192767
Energy: 1.4425145501769334
Energy: 1.7460139911920818
Energy: 1.4220781728030811
Energy: 1.7224765653907157
Energy: 1.4274522602816235
Energy: 1.722476565392086
Energy: 1.4212117559898185
Energy: 1.5265706677955626
Energy: 1.4143612703390565
Energy: 1.526570667796248
Energy: 1.462709129326136
Energy: 1.739029421631225
Energy: 1.431493727387725
Energy: 1.7390294216319098
Energy: 1.4620779165445164
Energy: 1.5507307560301702
Energy: 1.4601035434704122
Energy: 1.5507307560301702
Energy: 1.4258867286435055
Energy: 1.7298526864980321
Energy: 1.4730263174165192
Energy: 1.7298526864980321
Energy: 1.4364999542897732
Energy: 1.447086868763242
Energy: 1.8053857686205583
Energy: 1.447086868763242
Energy: 1.4940542266801862
Energy: 1.7318877260334684
Energy: 1.4326038793022626
Energy: 1.7318877260334684
Energy: 1.4216598108166594
Energy: 1.4606647568151523
Energy: 1.7304396797027388
Energy: 1.4606647568137823
Energy: 1.651978286088575
Energy: 1.730096842240853
Energy: 1.4334887904247255
Energy: 1.730096842241538
Energy: 1.4371665812948
Energy: 1.446509687807511
Energy: 1.5821215607094226
Energy: 1.446509687807511
Energy: 1.4627405699651326
Energy: 1.4392106476266509
Energy: 1.45858864672485
Energy: 1.4392106476252806
Energy: 1.458914698317994
Energy: 1.4620512357175826
Energy: 1.488165302636334
Energy: 1.4620512357182678
Energy: 1.6429399087879055
Energy: 1.4345807820827636
Energy: 1.4394448479034219
Energy: 1.434580782083449
Energy: 1.433391042127859
Energy: 1.4404847215544074
Energy: 1.660778112993897
Energy: 1.4404847215550922
Energy: 1.524909200933527
Energy: 1.4610781877633447
Energy: 1.4240799616165736
Energy: 1.4610781877633447
Energy: 1.4329277274325058
Energy: 1.5519396096216966
Energy: 1.4939294411529749
Energy: 1.5519396096216966
Energy: 1.6460942143718844
Energy: 1.515585932761984
Energy: 1.439570328131466
Energy: 1.5155859327640395
Energy: 1.471687232324589
Energy: 1.730563162691665
Energy: 1.4459540901683747
Energy: 1.7305631626902949
Energy: 1.4596595501241116
Energy: 1.5499797644429545
Energy: 1.4558584720730905
Energy: 1.5499797644436397
Energy: 1.4323809897200086
Energy: 1.7386719560202994
Energy: 1.5178737870829728
Energy: 1.7386719560202994
Energy: 1.4314054039023272
Energy: 1.5495867579116047
Energy: 1.4211158353874365
Energy: 1.5495867579116047
Energy: 1.427151555102982
Energy: 1.7266214885597957
Energy: 1.4309870716546744
Energy: 1.7266214885584257
Energy: 1.439791654316798
Energy: 1.5237806479624232
Energy: 1.6605076163185197
Energy: 1.5237806479624232
Energy: 1.5127022487109834
Energy: 1.7466313111073166
Energy: 1.4453326048872983
Energy: 1.7466313111066316
Energy: 1.4255077638024285
Energy: 1.4622762066857489
Energy: 1.4974827362980365
Energy: 1.4622762066857489
Energy: 1.4461990219260814
Energy: 1.5334971026639306
Energy: 1.4584923450030272
Energy: 1.5334971026659858
Energy: 1.4395237036450323
Energy: 1.9404968598980954
Energy: 1.4552512069586843
Energy: 1.9404968598980954
Energy: 1.815867334497539
Energy: 1.5503116894540747
Energy: 1.4367360113211807
Energy: 1.5503116894540747

minimum gb energy = 1.4143612703390565 eV
minimum distance =  2.23510426527759 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.3015698796775066
Energy: 1.3017990941120106
Energy: 2.132971660328341
Energy: 1.3017990941120106
Energy: 1.3019870895377983
Energy: 1.3396760943499189
Energy: 1.323985148147775
Energy: 1.3396760943499189
Energy: 1.3209800238948124
Energy: 1.4004920938805743
Energy: 2.272767875080017
Energy: 1.4004920938823668
Energy: 1.345367174742586
Energy: 1.3397215838718077
Energy: 1.3242043686246674
Energy: 1.3397215838718077
Energy: 1.3204912081604812
Energy: 1.4340546801358287
Energy: 2.1766123187539317
Energy: 1.4340546801358287
Energy: 1.3204838580572316
Energy: 1.3024581879777368
Energy: 1.3014688807761852
Energy: 1.3024581879777368
Energy: 1.3212090039324427
Energy: 1.533562990373178
Energy: 1.3017150789637646
Energy: 1.533562990373178
Energy: 1.3425958252475132
Energy: 1.533178571308216
Energy: 1.323927999509788
Energy: 1.533178571308216
Energy: 1.3204967959163245
Energy: 1.4336578634377517
Energy: 1.3457820514924121
Energy: 1.4336578634377517
Energy: 1.3392018693775118
Energy: 1.3025902130962217
Energy: 1.3203562352506182
Energy: 1.3025902130962217
Energy: 1.3015343691537828
Energy: 1.340681358852863
Energy: 1.3203590220035806
Energy: 1.340681358852863
Energy: 1.3015982227110836
Energy: 1.534502353039855
Energy: 1.3238799078475996
Energy: 1.534502353039855
Energy: 1.3205077534383616
Energy: 1.3035206385683518
Energy: 1.338324197124748
Energy: 1.3035206385683518
Energy: 1.3207448267959851
Energy: 1.432934765889947
Energy: 1.3205479440135568
Energy: 1.432934765889947
Energy: 1.310592706183818
Energy: 1.3036458097088708
Energy: 1.3205351054863086
Energy: 1.3036458097106634

minimum gb energy = 1.3014688807761852 eV
minimum distance =  2.2534511395102 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.3062117578590409
Energy: 1.2734654854387903
Energy: 1.7704288590385044
Energy: 1.2734654854395415
Energy: 1.519343146254955
Energy: 1.4891950008602122
Energy: 1.2677487825648335
Energy: 1.4891950008587096
Energy: 1.275153416878633
Energy: 1.2747861043003472
Energy: 1.9907015861766053
Energy: 1.2747861043003472
Energy: 1.2679071724416315
Energy: 1.489458725047423
Energy: 1.2645978138353156
Energy: 1.4894587250489257
Energy: 1.2818971716415042
Energy: 1.3675095620764706
Energy: 1.3549815415508721
Energy: 1.367509562079476
Energy: 1.2977874391120663
Energy: 1.3010139991370624
Energy: 1.2803461240825544
Energy: 1.301013999138565
Energy: 1.2820309299042532
Energy: 1.2888594258566652
Energy: 1.6513984623480047
Energy: 1.2888594258581678
Energy: 1.2703374388371798
Energy: 1.4894119950279767
Energy: 1.2803036396686827
Energy: 1.4894119950279767
Energy: 1.2818125291418452
Energy: 1.3710089192808947
Energy: 1.4992297927274831
Energy: 1.3710089192839003
Energy: 1.5121163793092351
Energy: 1.577425970631337
Energy: 1.2647459196425406
Energy: 1.577425970633591
Energy: 1.2819415627711512
Energy: 1.3928939877520077
Energy: 1.3053806289908065
Energy: 1.3928939877520077
Energy: 1.6948122551289786
Energy: 1.5777588837616174
Energy: 1.272708871512323
Energy: 1.5777588837623686
Energy: 1.315674505013642
Energy: 1.2885655398807043
Energy: 1.3019094800906177
Energy: 1.2885655398874665
Energy: 1.697372409879418
Energy: 1.391590691925493
Energy: 1.2726954831350032
Energy: 1.3915906919284982
Energy: 1.282645354956419
Energy: 1.2717733376626565
Energy: 1.2755148342476905
Energy: 1.2717733376649105
Energy: 1.2626968785875288
Energy: 1.3921182513562467
Energy: 1.2611917928437433
Energy: 1.3921182513554953
Energy: 1.2783413477471268
Energy: 1.3586662915717327
Energy: 1.2615284852390656
Energy: 1.3586662915732355
Energy: 1.3020103786423771
Energy: 1.3679906542121152
Energy: 1.2758913796868774
Energy: 1.3679906542128661
Energy: 1.2786784195808918
Energy: 1.2898732274675535
Energy: 1.2757727292822336
Energy: 1.289873227466051
Energy: 1.2785661212507373
Energy: 1.2897694760926526
Energy: 1.2758691285447443
Energy: 1.2897694760911502
Energy: 1.3021453471275384
Energy: 1.36794007363349
Energy: 1.2758337045952532
Energy: 1.36794007363349
Energy: 1.2783901378647475
Energy: 1.3584143349324143
Energy: 1.2617424686321896
Energy: 1.3584143349346685
Energy: 1.262338397129483
Energy: 1.3922618964625015
Energy: 1.261429274791538
Energy: 1.392261896465507
Energy: 1.2821383513601055
Energy: 1.2718383237212811
Energy: 1.3113104399526745
Energy: 1.2718383237152708
Energy: 1.6973297028820047
Energy: 1.3917015598798987
Energy: 1.2735799245451387
Energy: 1.3917015598791473
Energy: 1.3212184923636447
Energy: 1.2886318887007406
Energy: 1.3106406346438788
Energy: 1.2886318887007406
Energy: 1.694456837939655
Energy: 1.5773050785155132
Energy: 1.2730789114675733
Energy: 1.5773050785177671
Energy: 1.2829957584545957
Energy: 1.39294641358497
Energy: 1.304660167325323
Energy: 1.392946413587224
Energy: 1.5121215967317356
Energy: 1.5778213237632657
Energy: 1.2647185763436974
Energy: 1.5778213237587577
Energy: 1.2818847352098484
Energy: 1.3710110356007452
Energy: 1.7159925475827276
Energy: 1.371011035604502
Energy: 1.2706876623414627
Energy: 1.4896591152934018
Energy: 1.2803141351076783
Energy: 1.489659115291148
Energy: 1.2820723912639025
Energy: 1.28876746220507
Energy: 1.8429865994106203
Energy: 1.2887674622073242
Energy: 1.2977617984762813
Energy: 1.3012467288711163
Energy: 1.2803674687819115
Energy: 1.301246728870365
Energy: 1.2818418411532566
Energy: 1.3674984372110035
Energy: 1.3416783473706984
Energy: 1.3674984372087493
Energy: 1.2680146189160257
Energy: 1.4895939579532833
Energy: 1.2646178983913585
Energy: 1.489593957947273

minimum gb energy = 1.2611917928437433 eV
minimum distance =  2.22066932912246 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.385231130654374
Energy: 1.384846517699462
Energy: 1.2084039819767485
Energy: 1.3848465177007545
Energy: 1.4737283152609035
Energy: 1.6156816295121161
Energy: 1.1796369672605593
Energy: 1.6156816295134089
Energy: 1.200508044915188
Energy: 1.369760077830323
Energy: 1.6149312491382037
Energy: 1.3697600776662464
Energy: 1.326881331228451
Energy: 1.3709192535753196
Energy: 1.1800434056455853
Energy: 1.370919253574027
Energy: 1.1790978264597907
Energy: 1.2046732355222636
Energy: 1.3210159132366737
Energy: 1.204673235520971
Energy: 1.2168941965582518
Energy: 1.781743558822669
Energy: 1.3293498048155525
Energy: 1.781743558822669
Energy: 1.1952098104561624
Energy: 1.9708987365183421
Energy: 1.6723274446880896
Energy: 1.9708987365183421
Energy: 1.162500501780758
Energy: 1.2058776196780834
Energy: 1.2074073047452505
Energy: 1.2058776196780834
Energy: 1.1804385079612365
Energy: 1.6152652549075275
Energy: 1.4976461559291752
Energy: 1.6152652549088202
Energy: 1.6151052052633417
Energy: 1.6623670327525524
Energy: 1.330507423612938
Energy: 1.6623670327525524
Energy: 1.1782824078234215
Energy: 1.865612575982747
Energy: 1.3273616715181564
Energy: 1.8656125759840398
Energy: 1.5748251501983659
Energy: 1.2052467452637141
Energy: 1.180020590399005
Energy: 1.2052467452637141
Energy: 1.3265693090186805
Energy: 1.6150199427463743
Energy: 1.3974903154394127
Energy: 1.6150199427463743
Energy: 1.6751422932042364
Energy: 1.971252725699338
Energy: 1.1624503119147092
Energy: 1.971252725699338
Energy: 1.3842353915266195
Energy: 1.4191034592930072
Energy: 1.162559433503926
Energy: 1.4191034592930072
Energy: 1.384389864875538
Energy: 1.6158222276386098
Energy: 1.1793938733426221
Energy: 1.6158222276386098
Energy: 1.326647582365698
Energy: 1.3507836959964177
Energy: 1.180865128067953
Energy: 1.3507836959964177
Energy: 1.327079262285862
Energy: 1.70977647879174
Energy: 1.178274593835824
Energy: 1.70977647879174
Energy: 1.178294722707862
Energy: 1.206594146070088
Energy: 1.1783878970345105
Energy: 1.2065941460687952
Energy: 1.1785112221249094
Energy: 1.6158421883245178
Energy: 1.3265690127532606
Energy: 1.6158421883245178

minimum gb energy = 1.1624503119147092 eV
minimum distance =  2.23365809795482 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.2559321769621217
Energy: 1.4689127045195396
Energy: 1.070495048441911
Energy: 1.468912704520549
Energy: 1.5117518746775185
Energy: 1.3256596718768558
Energy: 1.063984564019373
Energy: 1.325659671877865
Energy: 1.1916864987991664
Energy: 1.1922691963333705
Energy: 1.3933676832201565
Energy: 1.1922691963323613
Energy: 1.2728908170044508
Energy: 1.23042921377364
Energy: 1.0720178813797336
Energy: 1.23042921377364
Energy: 1.082723112612977
Energy: 1.3250379998530575
Energy: 1.1533565380047757
Energy: 1.3250379998530575
Energy: 1.1659367699779142
Energy: 1.320924126869839
Energy: 1.0821797721755135
Energy: 1.320924126869839
Energy: 1.066905053640927
Energy: 1.0580118199719069
Energy: 1.2740286218612837
Energy: 1.0580118199708977
Energy: 1.0678914149216379
Energy: 1.2419957891693665
Energy: 1.1940018479714867
Energy: 1.2419957891673477
Energy: 1.0628012086297822
Energy: 1.0968951454377893
Energy: 1.6667154691136619
Energy: 1.0968951454367801
Energy: 1.0392800711304573
Energy: 1.30709514909697
Energy: 1.1217891644524078
Energy: 1.30709514909697
Energy: 1.06693797591626
Energy: 1.057605144291327
Energy: 1.5707726524332288
Energy: 1.0576051442903176
Energy: 1.3929596468855547
Energy: 1.6360526784066354
Energy: 1.1940231579023735
Energy: 1.6360526784076446
Energy: 1.0743358964103658
Energy: 1.1071838375602387
Energy: 1.4371258291487612
Energy: 1.1071838375612482
Energy: 1.3820788999817009
Energy: 1.4179994600538373
Energy: 1.0819421531613822
Energy: 1.4179994600528276
Energy: 1.0811425419925556
Energy: 1.057451254070851
Energy: 1.1650533229842233
Energy: 1.0574512540698415
Energy: 1.478565127043942
Energy: 1.736659502152529
Energy: 1.064793680486879
Energy: 1.7366595021505105
Energy: 1.1971685608937372
Energy: 1.4796859737461363
Energy: 1.0486458750397278
Energy: 1.4796859737471457
Energy: 1.4591238426460724
Energy: 1.2082762069490502
Energy: 1.0638650285993605
Energy: 1.2082762069480408
Energy: 1.2592835429478673
Energy: 1.0769418393662
Energy: 1.0403110232624877
Energy: 1.0769418393662
Energy: 1.711515942867791
Energy: 1.736312827159393
Energy: 1.0646973526856733
Energy: 1.736312827159393
Energy: 1.197101468161398
Energy: 1.735970025065122
Energy: 1.0534355261870096
Energy: 1.7359700250641128
Energy: 1.1914858295332622
Energy: 1.1072528007192342
Energy: 1.075255879739537
Energy: 1.107252800784798
Energy: 1.0810847052000205
Energy: 1.171200944392296
Energy: 1.3822394394301074
Energy: 1.1712009443933054
Energy: 1.165139979291897
Energy: 1.792287567316886
Energy: 1.080883682221727
Energy: 1.792287567315877
Energy: 1.0647057075457356
Energy: 1.6219212626632988
Energy: 1.4783757220580656
Energy: 1.6219212626622894
Energy: 1.0474976607880873
Energy: 1.357409155065731
Energy: 1.1914351231189295
Energy: 1.357409155065731

minimum gb energy = 1.0392800711304573 eV
minimum distance =  2.2370016307956 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.379975731906617
Energy: 1.1838818201525174
Energy: 0.9679056050697675
Energy: 1.1838818201665857
Energy: 1.4469737407258192
Energy: 0.9673085527402827
Energy: 0.958167342161736
Energy: 0.9673085527394552
Energy: 0.985755330882156
Energy: 0.9545658250614008
Energy: 1.768049311213699
Energy: 0.9545658250605732
Energy: 1.2361047503587237
Energy: 0.9684029119232602
Energy: 0.9578013709067209
Energy: 0.9684029119216052
Energy: 0.9516793190059816
Energy: 1.3996804270366567
Energy: 1.0307961592128172
Energy: 1.3996804270374845
Energy: 1.0240934691797197
Energy: 1.1663437639913732
Energy: 0.9578198261653914
Energy: 1.1663437639897183
Energy: 0.9565600828246661
Energy: 1.1666081416268752
Energy: 1.0241801303829492
Energy: 1.1666081416268752
Energy: 0.9403313566349433
Energy: 0.9889872020704806
Energy: 0.9529167049555428
Energy: 0.9889872020696532
Energy: 0.9614645928576375
Energy: 1.5484711949408685
Energy: 1.6181257268635587
Energy: 1.548471194941696
Energy: 0.9424022015979946
Energy: 0.9551191723920126
Energy: 0.9874092792868061
Energy: 0.9551191723911852
Energy: 0.9568886734264298
Energy: 0.9672354125001424
Energy: 1.5748094339035752
Energy: 0.9672354124984873
Energy: 0.944449082445186
Energy: 1.1829295418718966
Energy: 1.3812985296997973
Energy: 1.1829295418710692
Energy: 0.9615363397567505
Energy: 1.54871742831203
Energy: 1.6997587317915714
Energy: 1.5487174283128573
Energy: 1.2355543678972858
Energy: 1.372203245328288
Energy: 0.9870943279935339
Energy: 1.372203245329943
Energy: 0.9566606504996327
Energy: 0.9673936815367105
Energy: 1.3745290207499883
Energy: 0.9673936815367105
Energy: 1.2226976370429585
Energy: 1.547184145994821
Energy: 0.9530145989669347
Energy: 1.5471841459973035
Energy: 0.9616882386788526
Energy: 1.6200482069965563
Energy: 1.2744526450702611
Energy: 1.6200482069965563
Energy: 1.2166419611442703
Energy: 1.3727150080064143
Energy: 0.9579952940537506
Energy: 1.3727150080055865
Energy: 0.9569958125209158
Energy: 0.9896813970269919
Energy: 0.9399165727979735
Energy: 0.9896813970278194
Energy: 1.2052438189066466
Energy: 1.183149264080203
Energy: 0.9613942991626339
Energy: 1.1831492640810306
Energy: 0.9910340751132186
Energy: 1.3537719404649735
Energy: 0.9437334164211645
Energy: 1.3537719404649735
Energy: 1.5765146694878303
Energy: 1.7040036074643603
Energy: 0.9581141693720874
Energy: 1.7040036074643603
Energy: 1.384949706898254
Energy: 1.1827953247120582
Energy: 0.9442118674087884
Energy: 1.1827953247120582
Energy: 1.3803129757701251
Energy: 1.5484936133902096
Energy: 0.9618589428030998
Energy: 1.5484936133893819
Energy: 0.9911822660646188
Energy: 1.352825662526742
Energy: 0.9505185034189528
Energy: 1.352825662528397
Energy: 1.3755389166377607
Energy: 1.6974037344815784
Energy: 0.9582295641597123
Energy: 1.6974037344824062
Energy: 0.9569890184895571
Energy: 1.5527890672956968
Energy: 1.2227387801293466
Energy: 1.5527890672948692
Energy: 0.9521323735257351
Energy: 1.3540875742583895
Energy: 0.9615630606186857
Energy: 1.354087574260045
Energy: 0.9617181907500466
Energy: 1.353102392830344
Energy: 1.2178382422079794
Energy: 1.3531023928311718
Energy: 0.9399915353541612
Energy: 1.5921896083371905
Energy: 0.9625404252031549
Energy: 1.5921896083388456
Energy: 0.9573025593535077
Energy: 1.1842786592303358
Energy: 1.2054217940916625
Energy: 1.1842786591013172
Energy: 0.9443262262547756
Energy: 1.354766851947948
Energy: 0.9962770744171292
Energy: 1.354766851947948

minimum gb energy = 0.9399165727979735 eV
minimum distance =  2.2659550920887 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.2529572731971084
Energy: 1.5254773041536207
Energy: 1.719634952219493
Energy: 1.5254773041536207
Energy: 1.7428547515310604
Energy: 1.2195493503297488
Energy: 0.8957111309193325
Energy: 1.21954935033045
Energy: 0.9252339463651557
Energy: 0.8939036066342594
Energy: 1.6611388227890755
Energy: 0.8939036066342594
Energy: 1.4088358389311235
Energy: 1.2208592933274747
Energy: 0.8956331783733972
Energy: 1.2208592933267735
Energy: 0.8915259170170325
Energy: 1.5314862110215024
Energy: 0.8723114148648226
Energy: 1.5314862110201004
Energy: 1.2273799379043513
Energy: 1.3866932121399949
Energy: 0.8956303437553813
Energy: 1.3866932121406959
Energy: 0.8947665973429292
Energy: 1.078375804145767
Energy: 0.9339822480924718
Energy: 1.078375804146468
Energy: 1.3417500850713604
Energy: 1.0728433308167098
Energy: 0.895737697737907
Energy: 1.0728433308153076
Energy: 0.8983304929957446
Energy: 1.5396493767728976
Energy: 1.1115731362807135
Energy: 1.5396493767742996
Energy: 0.8651169184094721
Energy: 0.8980545739522765
Energy: 0.892432911338239
Energy: 0.8980545739557816
Energy: 0.8948522900648603
Energy: 1.2227881467105945
Energy: 1.557051032480941
Energy: 1.2227881467091928
Energy: 0.8677303267504641
Energy: 1.0619399086281003
Energy: 0.92606660293413
Energy: 1.061939908622492
Energy: 0.8980847271273104
Energy: 1.5364873224255415
Energy: 1.568247246604367
Energy: 1.5364873224269435
Energy: 0.867974306129187
Energy: 1.526003734697234
Energy: 1.253440537851029
Energy: 1.526003734697935
Energy: 0.8948633040414694
Energy: 1.4542676069788016
Energy: 1.5912948900937123
Energy: 1.4542676069773997
Energy: 1.1135318163360486
Energy: 1.0620910430018082
Energy: 0.9259378231525868
Energy: 1.0620910430123238
Energy: 0.8981061021068193
Energy: 1.5364900299354536
Energy: 1.5086526337483133
Energy: 1.5364900299347526
Energy: 1.105500442569149
Energy: 1.5315423332670686
Energy: 0.8923192206866741
Energy: 1.5315423332677696
Energy: 0.8948921348204573
Energy: 1.2206371787302548
Energy: 1.229936268626603
Energy: 1.2206371787302548
Energy: 1.101012329505986
Energy: 1.0611580709603903
Energy: 0.8956107645839168
Energy: 1.0611580709617925
Energy: 0.8979983025448695
Energy: 1.4149381601488504
Energy: 1.1446858482305906
Energy: 1.4149381601488504
Energy: 1.1038120427601874
Energy: 1.4728208859615768
Energy: 0.9019965869392457
Energy: 1.4728208859601746
Energy: 0.894793631016841
Energy: 1.2187877552311324
Energy: 0.8647672887555162
Energy: 1.2187877552318338
Energy: 1.443625254546627
Energy: 1.0635648255077677
Energy: 0.8957622548185851
Energy: 1.0635648255063657
Energy: 0.9284138967681371
Energy: 1.4128493637733655
Energy: 0.8685208376987732
Energy: 1.4128493637733655
Energy: 1.4233419316787743
Energy: 1.5405411965003348
Energy: 0.90199035785771
Energy: 1.5405411965003348
Energy: 1.2557904137762608
Energy: 1.5226352975173145
Energy: 0.8683103541185245
Energy: 1.5226352975159125
Energy: 1.5867313931542544
Energy: 1.3854580178150486
Energy: 0.8958228176146424
Energy: 1.3854580178164506
Energy: 0.9282511787854405
Energy: 1.5568466521315794
Energy: 0.8746410920624259
Energy: 1.5568466521322804
Energy: 1.2301285046801735
Energy: 1.5407300954633045
Energy: 0.9019221404860848
Energy: 1.5407300954626035
Energy: 0.8947794465050862
Energy: 1.5251900166551398
Energy: 1.105510340339375
Energy: 1.5251900166551398
Energy: 1.2292939877013513
Energy: 1.218300494874653
Energy: 0.8956234358149567
Energy: 1.218300494877457
Energy: 0.8981621827361139
Energy: 1.5569583359245016
Energy: 1.100456123225464
Energy: 1.5569583359259034
Energy: 0.8720054156285441
Energy: 1.415388348806181
Energy: 0.9019287658887277
Energy: 1.415388348806181
Energy: 0.8888626372029325
Energy: 1.2366015978706542
Energy: 1.1036131311611497
Energy: 1.2366015978706542
Energy: 0.8645214905510968
Energy: 1.2262351795770157
Energy: 0.8990179306712117
Energy: 1.2262351795756774
Energy: 0.8978938569954057
Energy: 1.5561908832782165
Energy: 1.4446409430713438
Energy: 1.5561908832768145

minimum gb energy = 0.8645214905510968 eV
minimum distance =  2.26676585031763 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.1791497316486619
Energy: 1.4270094450957012
Energy: 1.0921292386531938
Energy: 1.4270094450944852
Energy: 1.7051457055283996
Energy: 0.9960494985351364
Energy: 0.8213251331984737
Energy: 0.9960494985333125
Energy: 1.1317715491982678
Energy: 1.1323951034698363
Energy: 1.7040117249845057
Energy: 1.1323951034698363
Energy: 1.4146577168972216
Energy: 0.9964710616587747
Energy: 0.82122908861043
Energy: 0.9964710616587747
Energy: 0.8605211786994414
Energy: 0.81923579921305
Energy: 0.7809434390703168
Energy: 0.8192357992136581
Energy: 1.256801745755912
Energy: 1.000344826908031
Energy: 0.8212003059569524
Energy: 1.0003448268825226
Energy: 0.8173057220400377
Energy: 1.1550610294913017
Energy: 0.90091119099064
Energy: 1.1550610294913017
Energy: 1.0956905526284753
Energy: 0.9963652578762446
Energy: 0.8213252769147813
Energy: 0.9963652578756366
Energy: 0.8205491775707846
Energy: 1.1160600921298134
Energy: 1.0541901592913328
Energy: 1.1160600921298134
Energy: 0.9425366007052054
Energy: 1.154849871868671
Energy: 0.8180783518091599
Energy: 1.154849871868671
Energy: 0.8209419255484507
Energy: 1.0000614326921482
Energy: 1.4690698016510886
Energy: 1.0000614326951884
Energy: 0.7813841431643749
Energy: 0.9961940673698343
Energy: 0.861383023629621
Energy: 0.9961940673813587
Energy: 0.8206199551653068
Energy: 1.115612568194556
Energy: 1.4313569570819242
Energy: 1.115612568194556
Energy: 0.7844193045098211
Energy: 1.1325055516277416
Energy: 1.1326460105530705
Energy: 1.1325055516277416
Energy: 0.820867782469905
Energy: 0.9969753296459652
Energy: 1.5561572667978267
Energy: 0.9969753296459652
Energy: 0.7838316554028373
Energy: 1.4273524755559703
Energy: 1.1799704133695246
Energy: 1.4273524755559703
Energy: 0.8208316198840744
Energy: 1.1149655268146699
Energy: 1.5563431594816572
Energy: 1.1149655268146699
Energy: 0.9999767427541739
Energy: 1.1325289344823732
Energy: 1.1326238520432585
Energy: 1.1325289344823732
Energy: 0.8208487172364957
Energy: 1.2879095062656167
Energy: 1.4145503738112402
Energy: 1.2879095062656167
Energy: 0.9891786687729545
Energy: 1.4516157962582306
Energy: 0.861238047767665
Energy: 1.4516157962582306
Energy: 0.820494644846478
Energy: 1.117139437441294
Energy: 1.2567717636789697
Energy: 1.1171394374419021
Energy: 0.9863863975734618
Energy: 1.1597134887693008
Energy: 0.8180698554090157
Energy: 1.1597134887699085
Energy: 0.8207331097587999
Energy: 1.1332818531550413
Energy: 1.0962479389458628
Energy: 1.1332818531684172
Energy: 0.9936254970331505
Energy: 1.154754285263934
Energy: 0.821066782677723
Energy: 1.1547542852615023
Energy: 0.8205290622796785
Energy: 0.996453378894607
Energy: 0.9425281606820711
Energy: 0.996453378893999
Energy: 1.295700320523376
Energy: 1.1323591240422077
Energy: 0.8221480197272005
Energy: 1.1323591240416
Energy: 0.8634634096990401
Energy: 1.1337813252035143
Energy: 0.7810286233790753
Energy: 1.1337813251998663
Energy: 1.2961451168572464
Energy: 1.4480665277478266
Energy: 0.821672612865299
Energy: 1.4480665277478266
Energy: 1.1351617126269142
Energy: 1.1328486294104354
Energy: 0.7847147034060759
Energy: 1.1328486294110434
Energy: 1.5604960575920377
Energy: 1.2876222891888875
Energy: 0.8221059484335415
Energy: 1.2876222891894955
Energy: 1.182415215046514
Energy: 1.134052323329891
Energy: 0.7837937480976901
Energy: 1.1340523219011096
Energy: 1.4380621235401359
Energy: 1.447749594249789
Energy: 0.8213324821230495
Energy: 1.447749594249789
Energy: 1.1354287884027447
Energy: 1.1330982428720724
Energy: 0.7939385642840036
Energy: 1.1330982428726804
Energy: 1.4146069699930117
Energy: 1.2874519395751916
Energy: 0.8220813635032773
Energy: 1.2874519395745836
Energy: 0.8636434074833599
Energy: 1.4398318609956648
Energy: 0.9891857312355103
Energy: 1.4398318609956648
Energy: 1.101396199429286
Energy: 1.4405922297746827
Energy: 0.8211511364629398
Energy: 1.4405922297752909
Energy: 0.8207436222557356
Energy: 1.132473292208695
Energy: 0.9865296168452422
Energy: 1.132473292208695
Energy: 1.0959864725768746
Energy: 0.9957633475748374
Energy: 0.8220173653812961
Energy: 0.9957633475772696
Energy: 0.8205929087915566
Energy: 1.1328367673742945
Energy: 0.99308324117172
Energy: 1.1328367673730784
Energy: 0.7902044871428072
Energy: 1.3388917665517774
Energy: 0.8172689287930247
Energy: 1.3388917665517774
Energy: 0.8204054174572215
Energy: 1.1327209863144556
Energy: 1.29531473948133
Energy: 1.1327209863144556
Energy: 0.7811234180896234
Energy: 0.9959064959575255
Energy: 0.860249201146833
Energy: 0.9959064959581333
Energy: 0.8207121468485791
Energy: 1.4146268922080478
Energy: 1.2886838900978022
Energy: 1.4146268922086558

minimum gb energy = 0.7809434390703168 eV
minimum distance =  2.25724987372285 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.02052232950915443
Energy: 0.021362477631651697
Energy: 1.229870063570868
Energy: 0.021362477630249493
Energy: 1.2293293885232313
Energy: 0.45541318055302393
Energy: 0.45463930022212995
Energy: 0.45541318055260843
Energy: 0.02052232950915443
Energy: 0.021362477631184297
Energy: 1.2299257438172306
Energy: 0.021362477630249493
Energy: 1.2293293885236984
Energy: 0.45541318055302393
Energy: 0.4546392957335153
Energy: 0.45541318055260843
Energy: 0.02052232950915443
Energy: 0.021362477631184297
Energy: 1.2298698983958194
Energy: 0.021362477630249493
Energy: 1.2293293885232313
Energy: 0.45541318055302393
Energy: 0.4546393002906822
Energy: 0.45541318055260843

minimum gb energy = 0.02052232950915443 eV
minimum distance =  2.48527387779541 Angstroms
sigma value = 1