Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000005543232
cohesive_energy=4.4278017536966265
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: -0.022546436667 eV

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

Energy: 0.022124540852591645
Energy: 0.6441286727285576
Energy: 1.0715258919329103
Energy: 0.6440926162283086
Energy: 0.022124540852591645
Energy: 0.6441286727311981
Energy: 0.3820504459209595
Energy: 0.6865954895149554
Energy: 0.02260214825068864
Energy: 0.34407696714649666
Energy: 0.022521917281539357
Energy: 0.686595489517596
Energy: 0.02260214825068864
Energy: 0.34407696714649666
Energy: 0.022124540852591645
Energy: 0.6441286727285576
Energy: 0.3820504459209595
Energy: 0.6440926162283086
Energy: 0.022124540852591645
Energy: 0.6441286727311981
Energy: 0.3820504459209595
Energy: 0.6865954895149554
Energy: 0.02260214825068864
Energy: 0.34407696714649666
Energy: 0.022521917281539357
Energy: 0.686595489517596
Energy: 0.02260214825068864
Energy: 0.34407696714649666
Energy: 0.022124540852591645
Energy: 0.6441286727285576
Energy: 0.3820504459209595
Energy: 0.6440926162283086
Energy: 0.022124540852591645
Energy: 0.6441286727311981
Energy: 0.3820504459209595
Energy: 0.6865954895149554
Energy: 0.02260214825068864
Energy: 0.34407696714649666
Energy: 0.022521917281539357
Energy: 0.686595489517596
Energy: 0.02260214825068864
Energy: 0.34407696714649666

minimum gb energy = 0.022124540852591645 eV
minimum distance =  2.4694889716933 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.5464960277016366
Energy: 1.5208242615874794
Energy: 1.5821214447992236
Energy: 1.518174674461936
Energy: 1.546496027679054
Energy: 1.5208242615810275
Energy: 1.5744403690029425
Energy: 1.427195202184679
Energy: 1.4653369368672424
Energy: 1.5093899821232992
Energy: 1.4597637394331167
Energy: 1.4271952021717746
Energy: 1.4653369368736946
Energy: 1.5093899821426555
Energy: 1.4261744587265386
Energy: 1.4273516388987189
Energy: 1.5399492312466063
Energy: 1.4604234168479415
Energy: 1.4261744587168603
Energy: 1.4273516388922667
Energy: 1.5399492312466063
Energy: 1.5264244129909788
Energy: 1.4709112817366765
Energy: 1.571867155225221
Energy: 1.4539391465090086
Energy: 1.5264244129813007
Energy: 1.4709112817559744
Energy: 1.5718671552123167
Energy: 1.439507910650716
Energy: 1.4132003696547635
Energy: 1.5443687457562691
Energy: 1.4712620448618843
Energy: 1.4395079106539421
Energy: 1.4132003696547635
Energy: 1.5443687457756257
Energy: 1.478604822631223
Energy: 1.4597248170236639
Energy: 1.4644190973669322
Energy: 1.465116551724107
Energy: 1.4786048226344493
Energy: 1.4597248170172117
Energy: 1.464419097347576
Energy: 1.425855032475371
Energy: 1.4912304543903485
Energy: 1.5527975575194457
Energy: 1.482609254276989
Energy: 1.4258550324656927
Energy: 1.4912304543806705
Energy: 1.5432193408463029
Energy: 1.428247947928383
Energy: 1.428261421949119
Energy: 1.5449539553291884
Energy: 1.4647235302149886
Energy: 1.4282479479252157
Energy: 1.4282614219523448
Energy: 1.544953955338867
Energy: 1.4096422460456777
Energy: 1.4540338270999962
Energy: 1.5303315897246803
Energy: 1.4339008694118662
Energy: 1.4096422460327735
Energy: 1.4540338270999962
Energy: 1.5303315897375847
Energy: 1.4387564512840678
Energy: 1.4965254812345785
Energy: 1.5290140276456405
Energy: 1.4563192207851872
Energy: 1.4387564512905202
Energy: 1.496525481221674
Energy: 1.5290140276617712
Energy: 1.425742322260904
Energy: 1.4423959158050328
Energy: 1.4716383613353108
Energy: 1.5009545059126763
Energy: 1.42574232226413
Energy: 1.4423959158147113
Energy: 1.4716383613095023
Energy: 1.465604752604459
Energy: 1.514836630346431
Energy: 1.521042723863317
Energy: 1.4694279742058656
Energy: 1.465604752620531
Energy: 1.514836630352883
Energy: 1.5210427238536386
Energy: 1.558292547107195
Energy: 1.5100698895206586
Energy: 1.5481908768315034
Energy: 1.4575390556994268
Energy: 1.5582925470942905
Energy: 1.5100698895271107
Energy: 1.5481908768057533
Energy: 1.4255048176982075
Energy: 1.4932020812347275
Energy: 1.5487043756641248
Energy: 1.4307542708846246
Energy: 1.4255048176982075
Energy: 1.4932020812315017
Energy: 1.5487043756545051
Energy: 1.4382573346508816
Energy: 1.4331401269641888
Energy: 1.5581374418813034
Energy: 1.4419183409461664
Energy: 1.4382573346476557
Energy: 1.4331401269512845
Energy: 1.5581374418651728
Energy: 1.4964850949143422
Energy: 1.499913268245612
Energy: 1.5435851929761313
Energy: 1.5631138491025967
Energy: 1.4964850949207942
Energy: 1.499913268242386
Energy: 1.5435851929793576
Energy: 1.4328013530734656
Energy: 1.4445119113336014
Energy: 1.4653119920406508
Energy: 1.47525684003705
Energy: 1.4328013530702393
Energy: 1.4445119113465057
Energy: 1.4653119920406508
Energy: 1.4259926039683957
Energy: 1.4173202656131774
Energy: 1.546608774925164
Energy: 1.4640906226563986
Energy: 1.425992603990978
Energy: 1.4173202655970472
Energy: 1.5466087749283899
Energy: 1.4570085348777084
Energy: 1.4363895829367408
Energy: 1.5465779069628087
Energy: 1.4542415567775218
Energy: 1.4570085348777084
Energy: 1.4363895829496451
Energy: 1.5465779069821652
Energy: 1.4397179324207303
Energy: 1.416099016247381
Energy: 1.5484074883833387
Energy: 1.4732424424590735
Energy: 1.4397179324271823
Energy: 1.4160990162506069
Energy: 1.5484074883994694
Energy: 1.4259356565312853
Energy: 1.4396221963005507
Energy: 1.566134198620891
Energy: 1.44257662999063
Energy: 1.4259356565409635
Energy: 1.4396221962973246
Energy: 1.566134198630569
Energy: 1.424948524707913
Energy: 1.4730490039363486
Energy: 1.5856877740633002
Energy: 1.4367462024608064
Energy: 1.4249485246917826
Energy: 1.4730490039105983
Energy: 1.585687774056848
Energy: 1.4400630115447202
Energy: 1.4279505648383406
Energy: 1.550188324032666
Energy: 1.4751479675458719
Energy: 1.4400630115511726
Energy: 1.4279505648254363
Energy: 1.5501883240262138
Energy: 1.4690106602434858
Energy: 1.4724756186586887
Energy: 1.538413880407882
Energy: 1.4531660442929215
Energy: 1.4690106602370334
Energy: 1.4724756186651409
Energy: 1.5384138804175602
Energy: 1.4339493235560739
Energy: 1.4938320440727555
Energy: 1.5324849540279262
Energy: 1.4432369366424185
Energy: 1.4339493235399432
Energy: 1.4938320440824338
Energy: 1.5134374804826443
Energy: 1.4416406718088879
Energy: 1.4434014864374158
Energy: 1.4851668337000759
Energy: 1.5159779123510135
Energy: 1.441640671802436
Energy: 1.44340148643419
Energy: 1.4851668337065282
Energy: 1.534247818539527
Energy: 1.4233170162357855
Energy: 1.5410865696582916
Energy: 1.4421935193930486
Energy: 1.534247818536301
Energy: 1.4233170162390116
Energy: 1.533346284946609
Energy: 1.4916746933224139
Energy: 1.5172969377681182
Energy: 1.5556898371373955
Energy: 1.5171789245642135
Energy: 1.4916746933320921
Energy: 1.517296937751988
Energy: 1.5556898371341692
Energy: 1.4873526611557115
Energy: 1.4598080362056183
Energy: 1.5904530465219513
Energy: 1.430638431760732
Energy: 1.4873526611492591
Energy: 1.4598080362088441
Energy: 1.5904530465380817
Energy: 1.4219337836052492
Energy: 1.4625407782562492
Energy: 1.579243036598195
Energy: 1.4470158472506236
Energy: 1.4219337836052492
Energy: 1.4625407782916775
Energy: 1.579243036598195
Energy: 1.4343142951820258
Energy: 1.4917873382468452
Energy: 1.5482044796943302
Energy: 1.4848140047552283
Energy: 1.4343142951820258
Energy: 1.4917873382597495
Energy: 1.5482044796943302
Energy: 1.472147358458229
Energy: 1.4598253721192367
Energy: 1.4898900329770226
Energy: 1.4631657570900323
Energy: 1.4721473584356461
Energy: 1.4598253721127843
Energy: 1.4898900329737965
Energy: 1.4484149022301482
Energy: 1.4785673526861107
Energy: 1.5448270293149893
Energy: 1.4281249853758353
Energy: 1.4484149022462784
Energy: 1.47856735266998
Energy: 1.5448270292988588
Energy: 1.455466804970721
Energy: 1.4292805505788722
Energy: 1.5772459447709977
Energy: 1.4642460516085376
Energy: 1.455466804977173
Energy: 1.4292805505659678
Energy: 1.5772459447903544
Energy: 1.419673595336831
Energy: 1.431379072436944
Energy: 1.5429804133889742
Energy: 1.4793937729183433
Energy: 1.419673595336831
Energy: 1.4313790724401696
Energy: 1.5429804133792961
Energy: 1.4390340409849869
Energy: 1.439571681522899
Energy: 1.5768827431245986
Energy: 1.4459807276067638
Energy: 1.4390340409817606
Energy: 1.4395716815164468
Energy: 1.5768827431245986
Energy: 1.4110033710864767
Energy: 1.4540725888891308
Energy: 1.6025850177323056
Energy: 1.4362320315022403
Energy: 1.4110033710832506
Energy: 1.454072588902035
Energy: 1.6025850177323056
Energy: 1.4260484130125617
Energy: 1.429997202760381
Energy: 1.5253682711658685
Energy: 1.4769886627767452
Energy: 1.426048413015788
Energy: 1.429997202776511
Energy: 1.5253682711626422
Energy: 1.4706639734517555
Energy: 1.485767484123534
Energy: 1.559535717706523
Energy: 1.4724505722459071
Energy: 1.4706639734453033
Energy: 1.4857674841138557
Energy: 1.559535717716201
Energy: 1.4919063050161832
Energy: 1.5011546106987814
Energy: 1.5041400825548839
Energy: 1.4743333690421083
Energy: 1.4919063050258612
Energy: 1.5011546106987814
Energy: 1.5041400825484317
Energy: 1.4872289867124366
Energy: 1.4356892092179674
Energy: 1.5400751725587252
Energy: 1.4861540446794315
Energy: 1.487228986715663
Energy: 1.4356892092179674
Energy: 1.5400751725716295
Energy: 1.492257350341121
Energy: 1.4305252873504803
Energy: 1.5481468011515205
Energy: 1.4448480629997569
Energy: 1.4922573503540253
Energy: 1.4305252873569327
Energy: 1.5481468011450683
Energy: 1.5579916844881898
Energy: 1.4726402603625597
Energy: 1.57015980266768
Energy: 1.510621508177197
Energy: 1.5579916844881898
Energy: 1.4726402603593334
Energy: 1.570159802670906
Energy: 1.4844199159473974
Energy: 1.4949530507120585
Energy: 1.5213896183960023
Energy: 1.4348591154445387
Energy: 1.484419915934493
Energy: 1.4949530507249629
Energy: 1.521389618376646
Energy: 1.4105891546383778
Energy: 1.4430715272033516
Energy: 1.564415505008344
Energy: 1.4481076998532532
Energy: 1.4105891546383778
Energy: 1.4430715271872798
Energy: 1.564415505001892
Energy: 1.439064006576182
Energy: 1.5046106043824334
Energy: 1.629767849054978
Energy: 1.4894308954339592
Energy: 1.4390640065632778
Energy: 1.5046106043824334
Energy: 1.6297678490517522
Energy: 1.4099636232310828
Energy: 1.4845885139810426
Energy: 1.521472695242443
Energy: 1.4373863930262862
Energy: 1.409963623237535
Energy: 1.4845885139745902
Energy: 1.5214726952392756

minimum gb energy = 1.4096422460327735 eV
minimum distance =  2.16178826533898 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.5066622695496381
Energy: 1.490157895629041
Energy: 1.6133197205731986
Energy: 1.4827923041911226
Energy: 1.5066622695496381
Energy: 1.4901578956217172
Energy: 1.6068892918843782
Energy: 1.4128573357082246
Energy: 1.4449579468277538
Energy: 1.505718090218616
Energy: 1.4791603512455878
Energy: 1.4128573357009007
Energy: 1.4449579468204299
Energy: 1.505718090214954
Energy: 1.4376124982768408
Energy: 1.4649685593734052
Energy: 1.5631076367373213
Energy: 1.45875827841644
Energy: 1.4376124982805025
Energy: 1.4649685593660813
Energy: 1.5631076367299974
Energy: 1.4677462114463269
Energy: 1.499182753371066
Energy: 1.5429226282048698
Energy: 1.4419439864376837
Energy: 1.467746211439003
Energy: 1.499182753371066
Energy: 1.5487679545391366
Energy: 1.4665470099671356
Energy: 1.4681367668298535
Energy: 1.4975950814824346
Energy: 1.4403574467667726
Energy: 1.4665470099634739
Energy: 1.4681367668225296
Energy: 1.4975950814860965
Energy: 1.4237018064608469
Energy: 1.4443912673813923
Energy: 1.4771682834822406
Energy: 1.4888085154873751
Energy: 1.4237018064754947
Energy: 1.4443912673777304
Energy: 1.4771682834859026
Energy: 1.469619534893697
Energy: 1.4942655868052017
Energy: 1.5055555130256222
Energy: 1.4562244875473578
Energy: 1.4696195348900352
Energy: 1.4942655867942158
Energy: 1.4801761637600719
Energy: 1.4678772662877537
Energy: 1.4379957107279584
Energy: 1.548543411525067
Energy: 1.4750107004144666
Energy: 1.46787726628043
Energy: 1.4379957107206345
Energy: 1.548543411521405
Energy: 1.4403355363995651
Energy: 1.4409330730885153
Energy: 1.4365871023284988
Energy: 1.471857845391865
Energy: 1.440335536395903
Energy: 1.4409330730775294
Energy: 1.4743113313665948
Energy: 1.4680607505162995
Energy: 1.4755094853436461
Energy: 1.481328168729622
Energy: 1.471873138224666
Energy: 1.4680607505089756
Energy: 1.4755094853619557
Energy: 1.4643586796455492
Energy: 1.465770236127112
Energy: 1.5002592169647708
Energy: 1.517634192287872
Energy: 1.471759365117931
Energy: 1.4657702361380978
Energy: 1.500259216972028
Energy: 1.526292779033049
Energy: 1.4230714246441722
Energy: 1.4480878990839896
Energy: 1.572763267807353
Energy: 1.4810847560680749
Energy: 1.423071424647834
Energy: 1.4480878990693415
Energy: 1.5179963339715925
Energy: 1.4376336598959016
Energy: 1.4585149943091185
Energy: 1.5865238243658777
Energy: 1.5330709305803447
Energy: 1.4376336599032253
Energy: 1.4585149943054565
Energy: 1.5728295274618507
Energy: 1.502730171374807
Energy: 1.490157895632703
Energy: 1.6116496891354157
Energy: 1.4827923041911226
Energy: 1.5027301713784686
Energy: 1.4901578956180555
Energy: 1.6116496891390775
Energy: 1.4128573357045626
Energy: 1.4449579468277538
Energy: 1.505718090214954
Energy: 1.4656665522012646
Energy: 1.4128573357009007
Energy: 1.444957946824092
Energy: 1.505718090211292
Energy: 1.4376124982805025
Energy: 1.4649685593697432
Energy: 1.5631076367373213
Energy: 1.458758278412778
Energy: 1.437612498284165
Energy: 1.4649685593624193
Energy: 1.5631076367299974
Energy: 1.4677462114463269
Energy: 1.4956442515560937
Energy: 1.5487679545391366
Energy: 1.4419439864303598
Energy: 1.467746211439003
Energy: 1.4956442515487696
Energy: 1.5487679545391366
Energy: 1.4665470099671356
Energy: 1.4687554834109577
Energy: 1.4975950814824346
Energy: 1.4403574467667726
Energy: 1.46654700995615
Energy: 1.4687554834182817
Energy: 1.4975950814860965
Energy: 1.4237065965051339
Energy: 1.444391267385054
Energy: 1.4771682834822406
Energy: 1.4888085154873751
Energy: 1.4237065965087958
Energy: 1.4443912673740684
Energy: 1.4771682834859026
Energy: 1.4687863328634627
Energy: 1.4942655868052017
Energy: 1.480176163752748
Energy: 1.4562244875436963
Energy: 1.4687863328707869
Energy: 1.4942655867942158
Energy: 1.4801761637600719
Energy: 1.4679302624990433
Energy: 1.4379957107316201
Energy: 1.548543411525067
Energy: 1.475376759984132
Energy: 1.4679302624880577
Energy: 1.4379957107242962
Energy: 1.548543411521405
Energy: 1.4403355364032269
Energy: 1.4409330730921772
Energy: 1.422304309564099
Energy: 1.4718578453991886
Energy: 1.4403355363995651
Energy: 1.4409330730775294
Energy: 1.4309938972743228
Energy: 1.4680607505126377
Energy: 1.4755094853436461
Energy: 1.4132799186589
Energy: 1.4718731382210042
Energy: 1.4680607505126377
Energy: 1.4755094853582937
Energy: 1.4234849463485433
Energy: 1.465770236127112
Energy: 1.5143476893089494
Energy: 1.4800094017361043
Energy: 1.471759365117931
Energy: 1.4657702361380978
Energy: 1.5143476893089494
Energy: 1.5502096881728369
Energy: 1.4230605781957948
Energy: 1.4480878990803274
Energy: 1.5697513587103527
Energy: 1.4810847560717368
Energy: 1.423060578192133
Energy: 1.4480878990693415
Energy: 1.5464613940239313
Energy: 1.4232638631369674
Energy: 1.4585149943054565
Energy: 1.5929607153732064
Energy: 1.5330709305803447
Energy: 1.4232638631442913
Energy: 1.4585149943054565
Energy: 1.5929607153732064
Energy: 1.5066622695496381
Energy: 1.490157895629041
Energy: 1.6116496891390775
Energy: 1.4827923041947844
Energy: 1.5066622695496381
Energy: 1.4901578956180555
Energy: 1.6116496891390775
Energy: 1.4128573357082246
Energy: 1.4449579468314158
Energy: 1.505718090218616
Energy: 1.4791603512492497
Energy: 1.4128573357009007
Energy: 1.4449579468204299
Energy: 1.505718090214954
Energy: 1.4376124982805025
Energy: 1.4649685593697432
Energy: 1.5631076367336594
Energy: 1.45875827841644
Energy: 1.437612498284165
Energy: 1.4649685593624193
Energy: 1.5631076367263355
Energy: 1.4677462114499888
Energy: 1.499182753371066
Energy: 1.5487679545391366
Energy: 1.4419439864340218
Energy: 1.4677462114426651
Energy: 1.499182753367404
Energy: 1.5487679545391366
Energy: 1.4665470099671356
Energy: 1.4681367668298535
Energy: 1.4975950814824346
Energy: 1.4403574467704343
Energy: 1.4665470099598117
Energy: 1.4681367668298535
Energy: 1.4975950814824346
Energy: 1.4237018064571851
Energy: 1.4443912673813923
Energy: 1.4771682834822406
Energy: 1.4888085154910369
Energy: 1.4237018064718328
Energy: 1.4443912673740684
Energy: 1.4771682834859026
Energy: 1.469619534893697
Energy: 1.4942655868052017
Energy: 1.480176163752748
Energy: 1.456224487554682
Energy: 1.4696195348900352
Energy: 1.4942655867942158
Energy: 1.4801761637637336
Energy: 1.4678772662877537
Energy: 1.4379957107279584
Energy: 1.548543411521405
Energy: 1.4750107004181288
Energy: 1.4678772662840918
Energy: 1.4379957107206345
Energy: 1.5485434115140813
Energy: 1.4403355363995651
Energy: 1.4409330730811916
Energy: 1.422304309567761
Energy: 1.471857845391865
Energy: 1.4403355363995651
Energy: 1.4409330730738676
Energy: 1.4223043095531132
Energy: 1.4680607505162995
Energy: 1.475509485347308
Energy: 1.4132799186589
Energy: 1.471873138224666
Energy: 1.4680607505126377
Energy: 1.4755094853619557
Energy: 1.4132799186662235
Energy: 1.46577023612345
Energy: 1.500259216968366
Energy: 1.4800094017397663
Energy: 1.471759365117931
Energy: 1.465770236134436
Energy: 1.5002592169756899
Energy: 1.4888554702215178
Energy: 1.4230714246368483
Energy: 1.4480878990839896
Energy: 1.549950298272005
Energy: 1.4810847560717368
Energy: 1.4230714246441722
Energy: 1.4480878990693415
Energy: 1.5730824460761434
Energy: 1.4376336598995634
Energy: 1.4585149943091185
Energy: 1.5929607153768683
Energy: 1.5330709305840067
Energy: 1.4376336599032253
Energy: 1.4585149943054565
Energy: 1.5929607153768683
Energy: 1.502730171374807
Energy: 1.490157895629041
Energy: 1.6116496891354157
Energy: 1.4827923041911226
Energy: 1.502730171374807
Energy: 1.4901578956180555
Energy: 1.6116496891390775
Energy: 1.4128573357045626
Energy: 1.4449579468277538
Energy: 1.505718090214954
Energy: 1.4656665522012646
Energy: 1.4128573357045626
Energy: 1.4449579468167681
Energy: 1.505718090211292

minimum gb energy = 1.4128573357009007 eV
minimum distance =  2.21828833620591 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.528214583466275
Energy: 1.4730512823466215
Energy: 1.5112050851215726
Energy: 1.4740621466385175
Energy: 1.528214583470926
Energy: 1.4730512823495814
Energy: 1.5585696781348637
Energy: 1.5471185228243918
Energy: 1.4793284345563782
Energy: 1.592854443880585
Energy: 1.515009380912729
Energy: 1.5471185228231232
Energy: 1.479328434557224
Energy: 1.5928544438818535
Energy: 1.4995042579070428
Energy: 1.5188392342440984
Energy: 1.6733008918972079
Energy: 1.4982622701972177
Energy: 1.49950425790662
Energy: 1.5188392342432526
Energy: 1.6733008918972079
Energy: 1.4858555357484522
Energy: 1.4654814230999302
Energy: 1.6175126048486939
Energy: 1.465448137233215
Energy: 1.4858555357446466
Energy: 1.4654814230986617
Energy: 1.6175126048474253
Energy: 1.5252382933816377
Energy: 1.4855383891167107
Energy: 1.5810913525422317
Energy: 1.4861185199888076
Energy: 1.5252382933816377
Energy: 1.4855383891200937
Energy: 1.590494080450804
Energy: 1.4681092557803268
Energy: 1.47576736003395
Energy: 1.5310899864614043
Energy: 1.5066869124671955
Energy: 1.4681092557799036
Energy: 1.4757673600390244
Energy: 1.5310899864656327
Energy: 1.4677942592599937
Energy: 1.56239407673867
Energy: 1.5587543989932995
Energy: 1.4902193526298162
Energy: 1.4677942592608395
Energy: 1.5623940767399385
Energy: 1.5478575911030839
Energy: 1.4969900198709665
Energy: 1.4779966215465528
Energy: 1.6746990714702916
Energy: 1.504270975811283
Energy: 1.4969900198667379
Energy: 1.4779966215431697
Energy: 1.6746990714732515
Energy: 1.471183415761664
Energy: 1.4663210342502035
Energy: 1.5836281797716194
Energy: 1.4855948524687397
Energy: 1.4711834157620869
Energy: 1.4663210342540094
Energy: 1.583628179775425
Energy: 1.4665174513072459
Energy: 1.5049176041342196
Energy: 1.5444938473108947
Energy: 1.487127087437415
Energy: 1.4665174513097827
Energy: 1.5049176041295682
Energy: 1.544493847313009
Energy: 1.5797701400882105
Energy: 1.5086319150364405
Energy: 1.5453598826616652
Energy: 1.4497407673003262
Energy: 1.5797701400877873
Energy: 1.5086319150368632
Energy: 1.545359882662088
Energy: 1.5286656300378647
Energy: 1.5199593275557601
Energy: 1.5667928994579174
Energy: 1.5045388516858227
Energy: 1.528665630039556
Energy: 1.5199593275591046
Energy: 1.5667928994570717
Energy: 1.5181007952917585
Energy: 1.5048906743353454
Energy: 1.6085696560343896
Energy: 1.4652670127876104
Energy: 1.5181007952904901
Energy: 1.5048906743366137
Energy: 1.6085696560348124
Energy: 1.4793768259302835
Energy: 1.4900267733259902
Energy: 1.6244104084918158
Energy: 1.5156168273439667
Energy: 1.479376825929015
Energy: 1.4900267733226074
Energy: 1.624410408488856
Energy: 1.5383096972304318
Energy: 1.4651630968676477
Energy: 1.6118241588916642
Energy: 1.4636614567833108
Energy: 1.5383096972308545
Energy: 1.4651630968684934
Energy: 1.6118241588942015
Energy: 1.5288054910921054
Energy: 1.5018068901073867
Energy: 1.5606088290188331
Energy: 1.494843849283703
Energy: 1.5288054910925284
Energy: 1.5018068901069637
Energy: 1.5606088290175646
Energy: 1.5489009444701562
Energy: 1.4749775396725606
Energy: 1.5567219883388916
Energy: 1.5045035090951437
Energy: 1.5489009444714248
Energy: 1.4749775396729832
Energy: 1.556721988335509
Energy: 1.4815201804796163
Energy: 1.504156954899058
Energy: 1.518205741894275
Energy: 1.5048369427837383
Energy: 1.481520180480462
Energy: 1.5041569549024023
Energy: 1.518205741891315
Energy: 1.4694438315519942
Energy: 1.4834503441416462
Energy: 1.5995277418866238
Energy: 1.5044325850555376
Energy: 1.46944383155284
Energy: 1.4834503441437603
Energy: 1.5408197911515376
Energy: 1.4974780617227375
Energy: 1.4660317956395463
Energy: 1.6043783621046486
Energy: 1.4813045085294623
Energy: 1.4974780617214687
Energy: 1.466031795642929
Energy: 1.6043783621054943
Energy: 1.5099299092634453
Energy: 1.4895089580569068
Energy: 1.5763153574058761
Energy: 1.5257783703336614
Energy: 1.5099299092647136
Energy: 1.4895089580569068
Energy: 1.5717828439598478
Energy: 1.5148660008295065
Energy: 1.5095570872371034
Energy: 1.5448830535136002
Energy: 1.4519793488337762
Energy: 1.5148660008286607
Energy: 1.5095570872404862
Energy: 1.5448830535102172
Energy: 1.5297014155668374
Energy: 1.4862578361659342
Energy: 1.50610025191341
Energy: 1.4853691098694246
Energy: 1.5297014155668374
Energy: 1.4862578361676257
Energy: 1.5061002519142552
Energy: 1.480434658020528
Energy: 1.4928843332083876
Energy: 1.6178097384448287
Energy: 1.4655848394258333
Energy: 1.4804346580171455
Energy: 1.4928843332075423
Energy: 1.6178097384367944
Energy: 1.4944498434875368
Energy: 1.4847910684016516
Energy: 1.5529249290763194
Energy: 1.4992492522086622
Energy: 1.4944498434879594
Energy: 1.4847910683995373
Energy: 1.5529249290775882
Energy: 1.5054438460518436
Energy: 1.5154826833708654
Energy: 1.5922099275198922
Energy: 1.463077469347943
Energy: 1.5054438460552264
Energy: 1.5154826833712887
Energy: 1.5922099275211608
Energy: 1.549761820154093
Energy: 1.481486841655638
Energy: 1.5678647669716674
Energy: 1.473007204385559
Energy: 1.549761820149019
Energy: 1.481486841652678
Energy: 1.56786476697209
Energy: 1.5360371962570156
Energy: 1.4748234543302645
Energy: 1.592819227995246
Energy: 1.521753096411671
Energy: 1.5360371962570156
Energy: 1.4748234543260363
Energy: 1.59281922799317
Energy: 1.500193718876358
Energy: 1.5207667990397409
Energy: 1.6395725437155295
Energy: 1.4905124000938301
Energy: 1.50019371886917
Energy: 1.5207667990393179
Energy: 1.6395725437125694
Energy: 1.468225155518366
Energy: 1.4820811763752462
Energy: 1.598862008248815
Energy: 1.4938314613386334
Energy: 1.468225155521749
Energy: 1.482081176372709
Energy: 1.5988620082428953
Energy: 1.5207210643250233
Energy: 1.4856391184029953
Energy: 1.522065208254768
Energy: 1.4862400092047554
Energy: 1.5207210643267148
Energy: 1.4856391184025723
Energy: 1.5220652082488486
Energy: 1.4799733580602483
Energy: 1.4526430408958406
Energy: 1.5838531202302952
Energy: 1.50043395724337
Energy: 1.4799733580627854
Energy: 1.4526430408983777
Energy: 1.5838531202302952
Energy: 1.5097672858326547
Energy: 1.551110652774819
Energy: 1.5486171781607958
Energy: 1.5090551815364874
Energy: 1.5097672858330775
Energy: 1.551110652777779
Energy: 1.5486171781629097
Energy: 1.494714539028515
Energy: 1.517355065055059
Energy: 1.658811285523554
Energy: 1.4654924867903933
Energy: 1.494714539028515
Energy: 1.5173550650508305
Energy: 1.6588112855218626
Energy: 1.471206952903541
Energy: 1.520711371421876
Energy: 1.5557200956588724
Energy: 1.4767495578153813
Energy: 1.471206952901427
Energy: 1.5207113714222986
Energy: 1.555720095662678
Energy: 1.4671539180360427
Energy: 1.5029436067100586
Energy: 1.5578354383754012
Energy: 1.5710707395240648
Energy: 1.4671539180356201
Energy: 1.502943606710904
Energy: 1.5578354383800528

minimum gb energy = 1.4497407673003262 eV
minimum distance =  2.21534255116539 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.4799968343253107
Energy: 1.4843346421856844
Energy: 1.5129949785238663
Energy: 1.484328778969811
Energy: 1.4799968343188235
Energy: 1.4843346421881798
Energy: 1.5129949785243653
Energy: 1.4614227856728232
Energy: 1.5098592733932037
Energy: 1.364279684142342
Energy: 1.5095623011465782
Energy: 1.4614227856663358
Energy: 1.5098592733912077
Energy: 1.3642796841493285
Energy: 1.4801641152619622
Energy: 1.4029649410691858
Energy: 1.4817508384243703
Energy: 1.4433124066580685
Energy: 1.480164115269947
Energy: 1.4029649410761722
Energy: 1.4817508384173836
Energy: 1.4809132732298496
Energy: 1.5098528027592744
Energy: 1.3641667407175975
Energy: 1.423920280891689
Energy: 1.4809132732402839
Energy: 1.5098528027622686
Energy: 1.36416674070866
Energy: 1.5349569691783889
Energy: 1.442297519643849
Energy: 1.4407938627767132
Energy: 1.443286641756468
Energy: 1.5349569691818823
Energy: 1.4422975196423518
Energy: 1.4407938627896881
Energy: 1.481285391628323
Energy: 1.4246793310639914
Energy: 1.579775173054945
Energy: 1.4416782272843054
Energy: 1.4812853916243307
Energy: 1.424679331071477
Energy: 1.579775173058937
Energy: 1.555868375983937
Energy: 1.4421316421350991
Energy: 1.5006108869990307
Energy: 1.4422865575945112
Energy: 1.5558683759894265
Energy: 1.4421316421350991
Energy: 1.4577027368714588
Energy: 1.4813936893858999
Energy: 1.3956969094747285
Energy: 1.5793123126907336
Energy: 1.3956456248536198
Energy: 1.481393689389892
Energy: 1.3956969094737304
Energy: 1.5793123126882387
Energy: 1.5560878899810853
Energy: 1.4423011339138923
Energy: 1.4815140613469144
Energy: 1.4421991163199839
Energy: 1.5560878899785902
Energy: 1.4423011339124405
Energy: 1.4815140613474136
Energy: 1.481218930719063
Energy: 1.4416927255204237
Energy: 1.5794948010387173
Energy: 1.424653532118609
Energy: 1.4812189307225563
Energy: 1.4416927255204237
Energy: 1.579494801047201
Energy: 1.5351455339710744
Energy: 1.4433283836668993
Energy: 1.3945744767425725
Energy: 1.4422725842516515
Energy: 1.5351455339755655
Energy: 1.4433283836629067
Energy: 1.405376311708116
Energy: 1.4808280752983998
Energy: 1.4239691633214062
Energy: 1.3641473562618007
Energy: 1.5100467239452173
Energy: 1.4808280752939085
Energy: 1.4239691633154177
Energy: 1.3641473562513209
Energy: 1.4798353752191664
Energy: 1.443378566357168
Energy: 1.425254280832126
Energy: 1.4029856839850101
Energy: 1.4798353752276046
Energy: 1.443378566367149
Energy: 1.425254280831627
Energy: 1.4614309915806616
Energy: 1.5095732298779632
Energy: 1.3641454254181358
Energy: 1.5098486576430763
Energy: 1.4614309915806616
Energy: 1.509573229891437
Energy: 1.3641454254201317
Energy: 1.4799968343278063
Energy: 1.4843346421891779
Energy: 1.5129949785263612
Energy: 1.484328778969811
Energy: 1.4799968343223167
Energy: 1.4843346421921269
Energy: 1.5129949785278582
Energy: 1.4614227856723239
Energy: 1.509859273394701
Energy: 1.3642796841453362
Energy: 1.5095623011470773
Energy: 1.4614227856683317
Energy: 1.5098592733917064
Energy: 1.3642796841518237
Energy: 1.4801641152634595
Energy: 1.4029649410676885
Energy: 1.4817508384238711
Energy: 1.4433124066595655
Energy: 1.4801641152694478
Energy: 1.4029649410741758
Energy: 1.481750838418881
Energy: 1.4809132732293504
Energy: 1.5098528027577771
Energy: 1.3641667407156464
Energy: 1.4239202808951823
Energy: 1.4809132732387866
Energy: 1.5098528027607712
Energy: 1.3641667407081608
Energy: 1.534956969179387
Energy: 1.4422975196443482
Energy: 1.4407938627782102
Energy: 1.443286641756468
Energy: 1.5349569691813831
Energy: 1.4422975196418526
Energy: 1.440793862790187
Energy: 1.4812853916323157
Energy: 1.4246793310634922
Energy: 1.5797751730569412
Energy: 1.4416782272858024
Energy: 1.4812853916278241
Energy: 1.424679331072475
Energy: 1.5797751730609333
Energy: 1.555868375982939
Energy: 1.4421316421346004
Energy: 1.4577027368579847
Energy: 1.4422865575940123
Energy: 1.5558683759879295
Energy: 1.4421316421331034
Energy: 1.4577027368704607
Energy: 1.4813936893863986
Energy: 1.3956969094712806
Energy: 1.5793123126907336
Energy: 1.395645624855117
Energy: 1.481393689389892
Energy: 1.3956969094747285
Energy: 1.5793123126877395
Energy: 1.5560878899805863
Energy: 1.4423011339114424
Energy: 1.4815140613454174
Energy: 1.4421991163154924
Energy: 1.5560878899785902
Energy: 1.4423011339128942
Energy: 1.4815140613459163
Energy: 1.4812189307200614
Energy: 1.4416927255189265
Energy: 1.5794948010397156
Energy: 1.4246535321201061
Energy: 1.4812189307240535
Energy: 1.4416927255194256
Energy: 1.5794948010467018
Energy: 1.5351455339725715
Energy: 1.4433283836668993
Energy: 1.3653585313739984
Energy: 1.4422725842526496
Energy: 1.5351455339755655
Energy: 1.443328383662408
Energy: 1.3653585313705052
Energy: 1.480828075300396
Energy: 1.4239691633199094
Energy: 1.3641473562603035
Energy: 1.5100467239467148
Energy: 1.4808280752949061
Energy: 1.4239691633164158
Energy: 1.3641473562538158
Energy: 1.479835375216172
Energy: 1.4433785663591643
Energy: 1.4252542808346214
Energy: 1.402985683983014
Energy: 1.4798353752261075
Energy: 1.443378566369145
Energy: 1.425254280833124
Energy: 1.461430991584654
Energy: 1.509573229878462
Energy: 1.3641454254211298
Energy: 1.5098486576440744
Energy: 1.461430991583157
Energy: 1.5095732298884432
Energy: 1.3641454254211298
Energy: 1.47999683432581
Energy: 1.4843346421856844
Energy: 1.5129949785243653
Energy: 1.4843287789703103
Energy: 1.4799968343193226
Energy: 1.4843346421881798
Energy: 1.5129949785253634
Energy: 1.4614227856723239
Energy: 1.5098592733932037
Energy: 1.3642796841403457
Energy: 1.5095623011465782
Energy: 1.4614227856663358
Energy: 1.5098592733912077
Energy: 1.3642796841483305

minimum gb energy = 1.3641454254181358 eV
minimum distance =  2.24043068444637 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.4853862659502266
Energy: 1.5932448177433152
Energy: 1.5388612711191283
Energy: 1.5932378079227327
Energy: 1.4853862659514383
Energy: 1.5932448177433152
Energy: 1.5388612711167053
Energy: 1.5279145209896268
Energy: 1.4520330766803724
Energy: 1.5222319375936277
Energy: 1.4518697426022276
Energy: 1.527914520988415
Energy: 1.4520330766815843
Energy: 1.5222319375887816
Energy: 1.4854889207577047
Energy: 1.4523655296671993
Energy: 1.4724344035905124
Energy: 1.4454513035645828
Energy: 1.485488920756493
Energy: 1.4523655296671993
Energy: 1.472434403591118
Energy: 1.5079042328319878
Energy: 1.4519705474311433
Energy: 1.6043694552622831
Energy: 1.4526015313898757
Energy: 1.5079042328307763
Energy: 1.4519705474293259
Energy: 1.6043694552592542
Energy: 1.4385579665675712
Energy: 1.52844916392697
Energy: 1.4372585988954016
Energy: 1.4807052584103453
Energy: 1.438557966571206
Energy: 1.5284491639245468
Energy: 1.4372585988929782
Energy: 1.5080205027816567
Energy: 1.4459790068904488
Energy: 1.4926588459353285
Energy: 1.4714472953507873
Energy: 1.5080205027828681
Energy: 1.4459790068916605
Energy: 1.49265884593654
Energy: 1.4854784276679736
Energy: 1.5283931996146258
Energy: 1.4593550962637671
Energy: 1.4634183602820046
Energy: 1.4854784276661561
Energy: 1.5283931996164435
Energy: 1.4593550962704311
Energy: 1.4969472299686795
Energy: 1.446963367367837
Energy: 1.493469054345054
Energy: 1.4713333990255009
Energy: 1.4969472299704971
Energy: 1.446963367370866
Energy: 1.4934690543486886
Energy: 1.4854827376253263
Energy: 1.4846857388120611
Energy: 1.5166248347589442
Energy: 1.48175635797172
Energy: 1.4854827376259323
Energy: 1.4846857388108496
Energy: 1.5166248347583382
Energy: 1.488905676880406
Energy: 1.445994914858469
Energy: 1.4636403465302767
Energy: 1.4701394546582855
Energy: 1.488905676877377
Energy: 1.445994914858469
Energy: 1.4636403465339118
Energy: 1.4790379231868631
Energy: 1.5101717986892764
Energy: 1.4734795358215973
Energy: 1.4627141737906029
Energy: 1.4790379231838338
Energy: 1.5101717986904881
Energy: 1.4734795358209916
Energy: 1.4022163516794974
Energy: 1.4734829976013177
Energy: 1.4746623762371989
Energy: 1.4252805730100742
Energy: 1.402216351681315
Energy: 1.4734829975970771
Energy: 1.474662376235987
Energy: 1.4795439340199679
Energy: 1.457745018627947
Energy: 1.455340542449
Energy: 1.4560517874084868
Energy: 1.4795439340199679
Energy: 1.4577450186267356
Energy: 1.4553405424508177
Energy: 1.4028298460631425
Energy: 1.4743828315287537
Energy: 1.495409284183236
Energy: 1.4092931195383314
Energy: 1.4028298460637485
Energy: 1.4743828315269363
Energy: 1.4954092841844477
Energy: 1.5078720370557794
Energy: 1.4118014548463005
Energy: 1.5071108643814466
Energy: 1.4623618535391292
Energy: 1.5078720370594145
Energy: 1.4118014548487237
Energy: 1.507110864380235
Energy: 1.4022575363937333
Energy: 1.5229518428616862
Energy: 1.4953972262126856
Energy: 1.532565304070198
Energy: 1.4022575363925214
Energy: 1.5229518428574456
Energy: 1.4953972262126856
Energy: 1.5085074942929404
Energy: 1.4110411044590998
Energy: 1.494132233601625
Energy: 1.4626922318850037
Energy: 1.5085074942971812
Energy: 1.4110411044572821
Energy: 1.4941322336022307
Energy: 1.4023434504405428
Energy: 1.4616070039120665
Energy: 1.4727389202432688
Energy: 1.4960859838281448
Energy: 1.4023434504417545
Energy: 1.4616070039102491
Energy: 1.4727389202456644
Energy: 1.4858597922409535
Energy: 1.4108861157554784
Energy: 1.514980680741521
Energy: 1.4544514052559352
Energy: 1.4858597922403476
Energy: 1.4108861157548722
Energy: 1.5149806807433386
Energy: 1.4035193143124547
Energy: 1.497710849023325
Energy: 1.4666264777619353
Energy: 1.4976994041654337
Energy: 1.4035193143130607
Energy: 1.4977108490196902
Energy: 1.4666264777619353
Energy: 1.4858632322502876
Energy: 1.4544066364257364
Energy: 1.5149700968363895
Energy: 1.4108599538034245
Energy: 1.485863232251499
Energy: 1.4544066364275539
Energy: 1.5149700968345723
Energy: 1.4023468199061442
Energy: 1.4960591187394672
Energy: 1.472722711426117
Energy: 1.4616718611091222
Energy: 1.4023468199061442
Energy: 1.4960591187364383
Energy: 1.4727227114273285
Energy: 1.5085729609524856
Energy: 1.462645645126921
Energy: 1.4842461331584238
Energy: 1.4112144258149617
Energy: 1.5085729609530913
Energy: 1.462645645124498
Energy: 1.4842461331596355
Energy: 1.4022679288407254
Energy: 1.5325449752248232
Energy: 1.4955795086777308
Energy: 1.5229818151876582
Energy: 1.4022679288413311
Energy: 1.5325449752242173
Energy: 1.4955795086783366
Energy: 1.5080602135715988
Energy: 1.4622894141605103
Energy: 1.542374227829175
Energy: 1.411795136222902
Energy: 1.5080602135728107
Energy: 1.462289414158693
Energy: 1.5423742278321766

minimum gb energy = 1.4022163516794974 eV
minimum distance =  2.22099265902905 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.5232370089064173
Energy: 1.5138483179681508
Energy: 1.4952602722848412
Energy: 1.51386218974817
Energy: 1.5232370088963358
Energy: 1.5138483179782936
Energy: 1.4952602722882218
Energy: 1.5001798365505865
Energy: 1.4704880382594965
Energy: 1.5244719847519788
Energy: 1.4698307871452854
Energy: 1.5001798365438244
Energy: 1.470488038272959
Energy: 1.5244719847620605
Energy: 1.4557471883001367
Energy: 1.4519461402190872
Energy: 1.5883162932415409
Energy: 1.452770652521846
Energy: 1.4557471883068989
Energy: 1.4519461402258493
Energy: 1.5883162932280168
Energy: 1.3836879160897726
Energy: 1.470302420220873
Energy: 1.6257905627228622
Energy: 1.469158222049773
Energy: 1.383687916099916
Energy: 1.4703024202107295
Energy: 1.6257905627330052
Energy: 1.5084528993804813
Energy: 1.3935801632952494
Energy: 1.5209499769337684
Energy: 1.3913573896213167
Energy: 1.5084528993906245
Energy: 1.3935801632952494
Energy: 1.5209499769506734
Energy: 1.3839588089062493
Energy: 1.4155537531950297
Energy: 1.5738223979527213
Energy: 1.4131958603759047
Energy: 1.3839588089197732
Energy: 1.415553753208492
Energy: 1.5738223979493404
Energy: 1.4305351611589856
Energy: 1.3935787613643018
Energy: 1.5550588423682146
Energy: 1.4115283207925737
Energy: 1.4305351611522237
Energy: 1.3935787613609207
Energy: 1.5550588423783573
Energy: 1.3825445882844347
Energy: 1.4202083685858085
Energy: 1.6255848198741443
Energy: 1.404833398097151
Energy: 1.3825445882911966
Energy: 1.4202083685959512
Energy: 1.6255848198741443
Energy: 1.4305626383112189
Energy: 1.4042730390984934
Energy: 1.5611754716553183
Energy: 1.3902734231130618
Energy: 1.430562638321362
Energy: 1.4042730390917313
Energy: 1.5611754716485564
Energy: 1.3873135671986014
Energy: 1.419701704681018
Energy: 1.4742072272118896
Energy: 1.4064249496668724
Energy: 1.3873135671816963
Energy: 1.4197017046843992
Energy: 1.4742072271950462
Energy: 1.433021476138926
Energy: 1.4591187544443163
Energy: 1.5756336790851033
Energy: 1.390165211710805
Energy: 1.4330214761254019
Energy: 1.4591187544307922
Energy: 1.575633679064817
Energy: 1.3872892305797773
Energy: 1.4063427113767555
Energy: 1.6070082271227266
Energy: 1.408980470119718
Energy: 1.3872892305797773
Energy: 1.4063427113835174
Energy: 1.6070082271125836
Energy: 1.4510563615953538
Energy: 1.4188459431683713
Energy: 1.5450696424088837
Energy: 1.4074511407659722
Energy: 1.451056361602116
Energy: 1.4188459431514664
Energy: 1.5450696424021217
Energy: 1.4321662510203668
Energy: 1.5028875280874117
Energy: 1.6384681686974174
Energy: 1.4596328965644423
Energy: 1.4321662510136048
Energy: 1.5028875280772684
Energy: 1.6384681687007983
Energy: 1.4512987215168862
Energy: 1.4837035191734007
Energy: 1.585159775054653
Energy: 1.4705586272958429
Energy: 1.451298721510124
Energy: 1.4837035191429715
Energy: 1.5851597750411293
Energy: 1.4322085101494288
Energy: 1.4062260296491722
Energy: 1.6293782096883291
Energy: 1.4089127745870997
Energy: 1.4322085101460476
Energy: 1.406226029639029
Energy: 1.6293782096883291
Energy: 1.4336861233902365
Energy: 1.4187648092289062
Energy: 1.7093507867143247
Energy: 1.4071692245498097
Energy: 1.4336861233733313
Energy: 1.418764809232287
Energy: 1.7093507867143247
Energy: 1.3871199186120367
Energy: 1.3954181418970462
Energy: 1.584543489127611
Energy: 1.4078590310772403
Energy: 1.3871199186120367
Energy: 1.395418141890284
Energy: 1.584543489117468
Energy: 1.4321413802172311
Energy: 1.4300121668845676
Energy: 1.5368254524305733
Energy: 1.440081304225972
Energy: 1.4321413802239316
Energy: 1.4300121669082346
Energy: 1.536825452427192
Energy: 1.4080051860112988
Energy: 1.3968282664657046
Energy: 1.6052498596537732
Energy: 1.4035161853119769
Energy: 1.4080051860146796
Energy: 1.3968282664487999
Energy: 1.6052498596503924
Energy: 1.4530865442707344
Energy: 1.399406485287155
Energy: 1.5499499013794937
Energy: 1.498643479224943
Energy: 1.4530865442741152
Energy: 1.3994064852939172
Energy: 1.5499499013794937
Energy: 1.4081866727652643
Energy: 1.4008880195216415
Energy: 1.560052429931181
Energy: 1.4089523852517356
Energy: 1.4081866727686452
Energy: 1.4008880195182607
Energy: 1.5600524299345622
Energy: 1.4529323879098046
Energy: 1.397547982874691
Energy: 1.6169420961156908
Energy: 1.481588246900587
Energy: 1.4529323878996614
Energy: 1.3975479828814532
Energy: 1.6169420961156908
Energy: 1.4277445051335864
Energy: 1.4056647407711034
Energy: 1.5228752621612724
Energy: 1.409341186160604
Energy: 1.4277445051538724
Energy: 1.4056647407811849
Energy: 1.5228752621612724
Energy: 1.45330742779234
Energy: 1.4662733052295487
Energy: 1.507408516580816
Energy: 1.5393918026539977
Energy: 1.453307427778816
Energy: 1.4662733052430728
Energy: 1.5074085166011022
Energy: 1.431144888671762
Energy: 1.4733003857439062
Energy: 1.6232102103791501
Energy: 1.4080480711907897
Energy: 1.4311448886785239
Energy: 1.4733003857439062
Energy: 1.6232102103791501
Energy: 1.5692887422224224
Energy: 1.4670343794384766
Energy: 1.434148233306758
Energy: 1.5434762578440364
Energy: 1.5692887422291846
Energy: 1.4670343794181904
Energy: 1.434148233306758
Energy: 1.4334321129311283
Energy: 1.5376659076140367
Energy: 1.649675434299071
Energy: 1.4715384604825787
Energy: 1.4334321129345096
Energy: 1.5376659076140367
Energy: 1.6496754343125952
Energy: 1.5687230824245606
Energy: 1.4675409056243132
Energy: 1.436634294575991
Energy: 1.5399972982431627
Energy: 1.568723082427942
Energy: 1.4675409056209319
Energy: 1.4366342945523236
Energy: 1.4345286974330123
Energy: 1.4691218382282272
Energy: 1.6125557780647426
Energy: 1.4088559394399898
Energy: 1.4345286974330123
Energy: 1.4691218382180842
Energy: 1.6125557780715047
Energy: 1.444191234917485
Energy: 1.4678105126978795
Energy: 1.5594204484176333
Energy: 1.5435853815113671
Energy: 1.4441912349005797
Energy: 1.4678105127012606
Energy: 1.559420448397347
Energy: 1.435431469113665
Energy: 1.4106988356327512
Energy: 1.549982418631339
Energy: 1.4083414639766914
Energy: 1.435431469123808
Energy: 1.4106988356428942
Energy: 1.5499824186414817
Energy: 1.4442352728822134
Energy: 1.4132610558350371
Energy: 1.5111223940762792
Energy: 1.4718382141428399
Energy: 1.444235272875513
Energy: 1.4132610558282752
Energy: 1.5111223940695173
Energy: 1.4355526439576505
Energy: 1.4101171069862577
Energy: 1.4828265915918266
Energy: 1.419368263859893
Energy: 1.4355526439542692
Energy: 1.4101171069964007
Energy: 1.4828265915783025
Energy: 1.4208935477723257
Energy: 1.4059682574931587
Energy: 1.545708871752808
Energy: 1.4728151627607873
Energy: 1.4208935477858498
Energy: 1.405968257503302
Energy: 1.5457088717426648
Energy: 1.4355566312103065
Energy: 1.4226096782951787
Energy: 1.5209910576310486
Energy: 1.403417061292258
Energy: 1.4355566312001635
Energy: 1.4226096782917974
Energy: 1.5209910576445722
Energy: 1.42012911897095
Energy: 1.409310053046728
Energy: 1.4649619966402228
Energy: 1.4939248148543516
Energy: 1.4201291189743308
Energy: 1.409310053050109
Energy: 1.4649619966436034
Energy: 1.4192706167731206
Energy: 1.4142519542703638
Energy: 1.491620859785451
Energy: 1.4035095843531757
Energy: 1.4192706167663585
Energy: 1.4142519542602205
Energy: 1.4916208598056757
Energy: 1.4204599317300397
Energy: 1.483735962987309
Energy: 1.5097741280562633
Energy: 1.4720334164750413
Energy: 1.4204599317368016
Energy: 1.4837359629906903
Energy: 1.509774128042739
Energy: 1.4192370915315975
Energy: 1.4770690064652627
Energy: 1.5298805059646827
Energy: 1.4625986656713492
Energy: 1.4192370915180736
Energy: 1.477069006468644
Energy: 1.5298805059343148
Energy: 1.4803295881297616
Energy: 1.4889152573414006
Energy: 1.5841021791417078
Energy: 1.4724122871281933
Energy: 1.4803295881601295
Energy: 1.488915257348163
Energy: 1.584102179131565
Energy: 1.4194361031915912
Energy: 1.4369130042809453
Energy: 1.707063766852074
Energy: 1.5413290128425539
Energy: 1.419436103194972
Energy: 1.4369130042843263
Energy: 1.7070637668486932
Energy: 1.4259460525086527
Energy: 1.473268036640663
Energy: 1.6229520303991352
Energy: 1.4568739660999626
Energy: 1.4259460525255578
Energy: 1.4732680366305198
Energy: 1.6229520304025162
Energy: 1.4438245829915783
Energy: 1.4224624099667822
Energy: 1.720360287338844
Energy: 1.4103742173908695
Energy: 1.4438245829780543
Energy: 1.4224624099667822
Energy: 1.720360287332082
Energy: 1.3877285391820837
Energy: 1.463683341223605
Energy: 1.6228536206245392
Energy: 1.490235861947911
Energy: 1.3877285392125132
Energy: 1.4636833412202244
Energy: 1.6228536206346822

minimum gb energy = 1.3825445882844347 eV
minimum distance =  2.13293360642201 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.3667328892542947
Energy: 1.310106279365304
Energy: 1.3548664546023332
Energy: 1.3101062793622895
Energy: 1.366732889250483
Energy: 1.3101062793630518
Energy: 1.4917774147216953
Energy: 1.3667328892520079
Energy: 1.3101062793615272
Energy: 1.5696423978469451
Energy: 1.310106279368353
Energy: 1.3667328892535324
Energy: 1.3101062793607647
Energy: 1.4211392826280629
Energy: 1.3667328892527701
Energy: 1.3101062793622895
Energy: 1.4739446292197342
Energy: 1.3101062793607647
Energy: 1.3667328892520079
Energy: 1.310106279368353
Energy: 1.473944629170185
Energy: 1.3667328892542947
Energy: 1.3101062793660665
Energy: 1.3847277482436013
Energy: 1.3101062793622895
Energy: 1.3667328892481962
Energy: 1.3101062793630518
Energy: 1.3565166194692895
Energy: 1.3667328892520079
Energy: 1.3101062793607647
Energy: 1.615481721772515
Energy: 1.310106279368353
Energy: 1.3667328892542947
Energy: 1.3101062793607647
Energy: 1.473944629167898
Energy: 1.3667328892535324
Energy: 1.3101062793622895
Energy: 1.4211392827149296
Energy: 1.3101062793607647
Energy: 1.3667328892535324
Energy: 1.310106279368353
Energy: 1.4754148768182607
Energy: 1.3667328892588684
Energy: 1.310106279365304
Energy: 1.3847278909304417
Energy: 1.3101062793622895
Energy: 1.3667328892520079
Energy: 1.3101062793622895
Energy: 1.3565165687657106
Energy: 1.3667328892527701
Energy: 1.3101062793607647
Energy: 1.5417397211985366
Energy: 1.310106279368353
Energy: 1.3667328892542947
Energy: 1.3101062793607647
Energy: 1.4754148768197854
Energy: 1.3667328892512454
Energy: 1.3101062793622895
Energy: 1.4211392827195037
Energy: 1.3101062793607647
Energy: 1.3667328892535324
Energy: 1.310106279368353
Energy: 1.4739446292456173
Energy: 1.3667328892565818
Energy: 1.310106279365304
Energy: 1.2750849000982811
Energy: 1.3101062793630518
Energy: 1.3667328892520079
Energy: 1.3101062793622895
Energy: 1.4917774147178837
Energy: 1.3667328892527701
Energy: 1.3101062793615272
Energy: 1.4739446292471423
Energy: 1.310106279368353
Energy: 1.3667328892558193
Energy: 1.3101062793607647
Energy: 1.4739446292570522
Energy: 1.366732889249721
Energy: 1.3101062793615272
Energy: 1.4211392827293787
Energy: 1.3101062793615272
Energy: 1.3667328892558193
Energy: 1.310106279368353
Energy: 1.4211392827370017
Energy: 1.3667328892596307
Energy: 1.3101062793645415
Energy: 1.4211392827316658
Energy: 1.3101062793630518
Energy: 1.3667328892558193
Energy: 1.3101062793622895
Energy: 1.4211392827415754
Energy: 1.3667328892535324
Energy: 1.3101062793615272
Energy: 1.4211392827392884
Energy: 1.310106279368353
Energy: 1.3667328892550568
Energy: 1.3101062793607647
Energy: 1.4211392827537719
Energy: 1.3667328892527701
Energy: 1.3101062793622895
Energy: 1.4211392827484362
Energy: 1.3101062793615272
Energy: 1.3667328892535324
Energy: 1.3101062793675908
Energy: 1.421139282771305
Energy: 1.3667328892542947
Energy: 1.310106279365304
Energy: 1.4211392827598706
Energy: 1.3101062793630518
Energy: 1.3667328892565818
Energy: 1.3101062793622895
Energy: 1.421139282763682
Energy: 1.366732889250483
Energy: 1.3101062793607647
Energy: 1.4211392827552967
Energy: 1.310106279368353
Energy: 1.3667328892542947
Energy: 1.3101062793600027
Energy: 1.421139282769018
Energy: 1.3667328892558193
Energy: 1.3101062793615272
Energy: 1.4211392827667313
Energy: 1.3101062793607647
Energy: 1.3667328892588684
Energy: 1.3101062793675908
Energy: 1.4211392827751164
Energy: 1.3667328892573438
Energy: 1.3101062793645415
Energy: 1.4211392827735918
Energy: 1.3101062793622895
Energy: 1.3667328892542947
Energy: 1.3101062793622895
Energy: 1.4211392827751164
Energy: 1.3667328892542947
Energy: 1.3101062793607647
Energy: 1.4211392827720672
Energy: 1.310106279368353
Energy: 1.3667328892535324
Energy: 1.3101062793607647
Energy: 1.421139282787313

minimum gb energy = 1.2750849000982811 eV
minimum distance =  2.32205649049798 Angstroms
sigma value = 23