Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349978416387
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01814676835213066
Energy: 1.2209110410403854
Energy: 0.01814676835183688
Energy: 1.2209110410403854
Energy: 0.01814676835213066
Energy: 1.2209110410407158
Energy: 1.2209110410407158
Energy: 1.4668546982602018
Energy: 1.2209110410407158
Energy: 1.4668546982611566
Energy: 1.2209110410403854
Energy: 1.4668546982614872
Energy: 0.01814676835183688
Energy: 1.2209110410410462
Energy: 0.01814676835183688
Energy: 1.2209110410410462
Energy: 0.01814676835213066
Energy: 1.2209110410407158
Energy: 1.2209110410407158
Energy: 1.4668546982605324
Energy: 1.2209110410407158
Energy: 1.4668546982608628
Energy: 1.2209110410407158
Energy: 1.4668546982611566
Energy: 0.01814676835183688
Energy: 1.2209110410403854
Energy: 0.01814676835183688
Energy: 1.2209110410407158
Energy: 0.01814676835183688
Energy: 1.2209110410407158
Energy: 1.2209110410403854
Energy: 1.4668546982614872
Energy: 1.2209110410407158
Energy: 1.4668546982624786
Energy: 1.2209110410403854
Energy: 1.4668546982602018

minimum gb energy = 0.01814676835183688 eV
minimum distance =  2.36840305766477 Angstroms
sigma value = 1


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

Energy: 1.5748694215970127
Energy: 1.5089381251168474
Energy: 1.5748694215962171
Energy: 1.5089381251168474
Energy: 1.574869421597808
Energy: 1.5089381251168474
Energy: 1.7444374053264537
Energy: 1.4074960090724546
Energy: 1.744437405327249
Energy: 1.4074960090724546
Energy: 1.7444374053264537
Energy: 1.4074960090724546
Energy: 1.5543994190610102
Energy: 1.5820068556454072
Energy: 1.5543994190602148
Energy: 1.5820068556454072
Energy: 1.5543994190681703
Energy: 1.5820068556454072
Energy: 1.6507306396736068
Energy: 1.485871881823934
Energy: 1.6507306396720158
Energy: 1.485871881823934
Energy: 1.6507306396728114
Energy: 1.485871881823934
Energy: 1.5051830129477877
Energy: 1.653133879348714
Energy: 1.5051830129477877
Energy: 1.653133879348714
Energy: 1.5051830129469919
Energy: 1.6531338793495096
Energy: 1.6236001167113536
Energy: 1.4412773955097165
Energy: 1.6236001167113536
Energy: 1.441277395508125
Energy: 1.6236001167113536
Energy: 1.4412773955089206
Energy: 1.4535544605410478
Energy: 1.5467403398230806
Energy: 1.4535544605402524
Energy: 1.5467403398230806
Energy: 1.4535544605402524
Energy: 1.546740339823876
Energy: 1.4538044983851026
Energy: 1.6776796054020455
Energy: 1.4538044983851026
Energy: 1.6776796054020455
Energy: 1.4538044983851026
Energy: 1.6776796054020455
Energy: 1.6106131048986518
Energy: 1.546113463445107
Energy: 1.6106131048978563
Energy: 1.5461134634435159
Energy: 1.6106131048986518
Energy: 1.5461134634435159
Energy: 1.3886941553406502
Energy: 1.656100203113582
Energy: 1.388694155341446
Energy: 1.6561002031127867
Energy: 1.388694155341446
Energy: 1.6561002031127867
Energy: 1.5875277140671478
Energy: 1.4391440390410328
Energy: 1.5875277140671478
Energy: 1.4391440390410328
Energy: 1.5875277140671478
Energy: 1.4391440390410328
Energy: 1.3677392510794035
Energy: 1.8966923691798432
Energy: 1.3677392510794035
Energy: 1.8966923691790474
Energy: 1.3677392510794035
Energy: 1.8966923691798432
Energy: 1.6952930202081
Energy: 1.3535398636200426
Energy: 1.6952930202073044
Energy: 1.3535398636200426
Energy: 1.6952930202073044
Energy: 1.353539863619247
Energy: 1.4608745076580456
Energy: 1.4891925638825232
Energy: 1.4608745076580456
Energy: 1.4891925638825232
Energy: 1.4608745076588412
Energy: 1.4891925638833188
Energy: 1.771158306865381
Energy: 1.4012535759017661
Energy: 1.7711583068661765
Energy: 1.4012535759017661
Energy: 1.771158306865381
Energy: 1.4012535759017661
Energy: 1.7652795882591628
Energy: 1.5997806702198931
Energy: 1.7652795882583674
Energy: 1.5997806702190975
Energy: 1.7652795882591628
Energy: 1.5997806702198931
Energy: 1.5319950921995755
Energy: 1.5455679947106
Energy: 1.5319950921995755
Energy: 1.5455679947106
Energy: 1.531995092200371
Energy: 1.5455679947113958
Energy: 1.5349403482337192
Energy: 1.471847402164616
Energy: 1.5349403482337192
Energy: 1.4718474021638202
Energy: 1.5349403482329238
Energy: 1.4718474021638202
Energy: 1.5325171306755152
Energy: 1.4815159614880675
Energy: 1.5325171306755152
Energy: 1.481515961487272
Energy: 1.5325171306755152
Energy: 1.4815159614880675
Energy: 1.6017148395654028
Energy: 1.4401903954572377
Energy: 1.6017148395654028
Energy: 1.4401903954580335
Energy: 1.6017148395661984
Energy: 1.4401903954580335
Energy: 1.420183765398708
Energy: 1.9102588240114529
Energy: 1.4201837653979121
Energy: 1.9102588240114529
Energy: 1.4201837653971165
Energy: 1.910258824012248
Energy: 1.5967766349957224
Energy: 1.5494440851676141
Energy: 1.5967766349957224
Energy: 1.5494440851676141
Energy: 1.5967766349965178
Energy: 1.5494440851676141
Energy: 1.3900272776484572
Energy: 1.6950970775896217
Energy: 1.3900272776476614
Energy: 1.6950970775896217
Energy: 1.3900272776476614
Energy: 1.6950970775896217

minimum gb energy = 1.353539863619247 eV
minimum distance =  2.2520436510945 Angstroms
sigma value = 33


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

Energy: 1.663971213773343
Energy: 1.6754427381157055
Energy: 1.5593876644703737
Energy: 1.675442738115253
Energy: 1.663971213773343
Energy: 1.6754427381157055
Energy: 1.6705848796347498
Energy: 1.495094745921689
Energy: 1.6705848796338445
Energy: 1.4950947459212365
Energy: 1.6705848796342972
Energy: 1.4950947459221413
Energy: 1.4553869011764562
Energy: 1.4849125452972878
Energy: 1.4553869011760039
Energy: 1.4849125452977405
Energy: 1.4553869011778138
Energy: 1.4849125452977405
Energy: 1.7221626921266875
Energy: 1.6626608714238926
Energy: 1.7221626921266875
Energy: 1.6626608714238926
Energy: 1.7221626921266875
Energy: 1.6626608714234403
Energy: 1.5567594871684092
Energy: 1.569188754312245
Energy: 1.5567594871684092
Energy: 1.5691887543163174
Energy: 1.5567594871679566
Energy: 1.5691887543136025
Energy: 1.5211919733260268
Energy: 1.4402857233092772
Energy: 1.5211919733251218
Energy: 1.4402857233088249
Energy: 1.5211919733255743
Energy: 1.4402857233088249
Energy: 1.6874848977771388
Energy: 1.560317980465856
Energy: 1.6874848977757817
Energy: 1.5603179804663085
Energy: 1.6874848977766865
Energy: 1.560317980465856
Energy: 1.3554200554588167
Energy: 1.6644924579599008
Energy: 1.355420055459722
Energy: 1.6644924579603535
Energy: 1.3554200554588167
Energy: 1.664492457960806
Energy: 1.4173109669142316
Energy: 1.4385609587464745
Energy: 1.417310966912874
Energy: 1.438560958746022
Energy: 1.4173109669142316
Energy: 1.438560958746022
Energy: 1.4224632245552613
Energy: 1.7128068991005347
Energy: 1.422506405190725
Energy: 1.71280689910144
Energy: 1.4224632245557136
Energy: 1.71280689910144
Energy: 1.8187282699103826
Energy: 1.4398239564194109
Energy: 1.8187282699121925
Energy: 1.4398239564194109
Energy: 1.8187282699108351
Energy: 1.4398239564198634
Energy: 1.4389349760227121
Energy: 1.549850214541924
Energy: 1.4389371853870927
Energy: 1.549850214541924
Energy: 1.4389349760218075
Energy: 1.5498502145414714
Energy: 1.5598691624626826
Energy: 1.4398231233784287
Energy: 1.664719289203066
Energy: 1.4398231233784287
Energy: 1.55986916246223
Energy: 1.4398231233793335
Energy: 1.5595098810036168
Energy: 1.6795031411598529
Energy: 1.664120494389567
Energy: 1.6795031411612105
Energy: 1.5595098810031642
Energy: 1.6795031411612105
Energy: 1.5663662088345185
Energy: 1.485594597353554
Energy: 1.5663662088354235
Energy: 1.485594597353554
Energy: 1.566366208834971
Energy: 1.485594597353554
Energy: 1.437944555490099
Energy: 1.4940848907637323
Energy: 1.4379445554905517
Energy: 1.4940848907641848
Energy: 1.4379445554905517
Energy: 1.4940848907646374
Energy: 1.7659538227513412
Energy: 1.5910655328558412
Energy: 1.765953822752246
Energy: 1.5910655328558412
Energy: 1.7659538227513412
Energy: 1.5910655328558412
Energy: 1.5563039298546055
Energy: 1.4380593482601536
Energy: 1.556303929854153
Energy: 1.4380593482601536
Energy: 1.556303929855058
Energy: 1.4380593482601536
Energy: 1.5237862548509884
Energy: 1.4956352054973807
Energy: 1.523786254849631
Energy: 1.4956352054973807
Energy: 1.5237862548505359
Energy: 1.4956352054973807
Energy: 1.6801874697695274
Energy: 1.5640341225674237
Energy: 1.6801874697695274
Energy: 1.5640341225678762
Energy: 1.6801874697695274
Energy: 1.5640341225678762
Energy: 1.3734833946499603
Energy: 1.6652255485763177
Energy: 1.3734833946490552
Energy: 1.6652255485767702
Energy: 1.3734833946499603
Energy: 1.6652255485758651
Energy: 1.483185374559912
Energy: 1.4570912005355123
Energy: 1.4831853745581018
Energy: 1.4570912005350598
Energy: 1.4831853745603643
Energy: 1.4570912005355123
Energy: 1.4221223812776607
Energy: 1.7147311491216894
Energy: 1.4221338824210197
Energy: 1.7147311491198793
Energy: 1.4221223812772084
Energy: 1.714731149121237
Energy: 1.7296906036556792
Energy: 1.5577248974004612
Energy: 1.7296906036647295
Energy: 1.5577248974000084
Energy: 1.7296906036588466
Energy: 1.5577248974004612
Energy: 1.4555694064076996
Energy: 1.520828920612481
Energy: 1.4552626458680764
Energy: 1.5208289206138383
Energy: 1.4555694064076996
Energy: 1.5208289206120282
Energy: 1.6646002597822058
Energy: 1.6381208218443803
Energy: 1.560074061058232
Energy: 1.6381208218434753
Energy: 1.6646002597817533
Energy: 1.6381208218407601
Energy: 1.664691134730249
Energy: 1.5958013771716677
Energy: 1.561788884976012
Energy: 1.5958013771712152
Energy: 1.6646911347297966
Energy: 1.5958013771712152
Energy: 1.4377991529697207
Energy: 1.4837131331818878
Energy: 1.4377991529679108
Energy: 1.4837131331832452
Energy: 1.4377991529692682
Energy: 1.4837131331832452
Energy: 1.7119402373713175
Energy: 1.4704258251024327
Energy: 1.71194023737358
Energy: 1.470425825102885
Energy: 1.7119402373713175
Energy: 1.4704258251032964
Energy: 1.4338844766945134
Energy: 1.8379582982735942
Energy: 1.4338844766949659
Energy: 1.8379582982740468
Energy: 1.4338844766945134
Energy: 1.8379582982735942
Energy: 1.5563007100735897
Energy: 1.4389409949130074
Energy: 1.5563007100740422
Energy: 1.43894099491346
Energy: 1.5563007100740422
Energy: 1.438940994912555
Energy: 1.460412328705696
Energy: 1.561629561612232
Energy: 1.4604123287070536
Energy: 1.5616295616126845
Energy: 1.460412328705696
Energy: 1.5616295616131373
Energy: 1.6754532134321636
Energy: 1.5638135941177345
Energy: 1.675453213434879
Energy: 1.5638135941181872
Energy: 1.675453213433974
Energy: 1.5638135941186397
Energy: 1.4965439552074842
Energy: 1.564876414661037
Energy: 1.4965439552088418
Energy: 1.5648764146601322
Energy: 1.4965439552070317
Energy: 1.564876414661037
Energy: 1.4923420370035005
Energy: 1.440071974002121
Energy: 1.4923420370062155
Energy: 1.440071974002121
Energy: 1.4923420370030478
Energy: 1.440071974002121
Energy: 1.6640563454851784
Energy: 1.7180486999926037
Energy: 1.6640563454842734
Energy: 1.7180486999930562
Energy: 1.6640563454856308
Energy: 1.7180486999930562
Energy: 1.439210914646307
Energy: 1.5565113687730725
Energy: 1.439285785192478
Energy: 1.5565113687730725
Energy: 1.439210914646307
Energy: 1.556511368773525
Energy: 1.49566151341069
Energy: 1.5212746436255222
Energy: 1.4903314452307834
Energy: 1.521274643626427
Energy: 1.4956615134102376
Energy: 1.521274643626427
Energy: 1.5593845346884625
Energy: 1.681483244910938
Energy: 1.6644552750673098
Energy: 1.681483244910938
Energy: 1.5593845346880097
Energy: 1.6814832449113903
Energy: 1.6643384872488765
Energy: 1.3532298588466758
Energy: 1.6643384872524971
Energy: 1.3532298588462235
Energy: 1.6643384872488765
Energy: 1.3532298588471283
Energy: 1.4392234922501441
Energy: 1.4162968149720132
Energy: 1.4392234922505969
Energy: 1.4162968149720132
Energy: 1.4392234922501441
Energy: 1.4162968149715607

minimum gb energy = 1.3532298588462235 eV
minimum distance =  2.34157321783586 Angstroms
sigma value = 51


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

Energy: 1.5495078814689383
Energy: 1.576800873625947
Energy: 1.54950788146789
Energy: 1.576800873625947
Energy: 1.54950788146789
Energy: 1.576800873625947
Energy: 1.6678397517061265
Energy: 1.5164555549098244
Energy: 1.6678397517071752
Energy: 1.5164555549098244
Energy: 1.6678397517071752
Energy: 1.5164555549098244
Energy: 1.4828989061313915
Energy: 1.5559872549020428
Energy: 1.482898906130343
Energy: 1.5559872549020428
Energy: 1.4828989061313915
Energy: 1.555987254900994
Energy: 1.5393336776206206
Energy: 1.4030821591967695
Energy: 1.5393336776206206
Energy: 1.4030821591967695
Energy: 1.5393336776206206
Energy: 1.4030821591967695
Energy: 1.6036012846994039
Energy: 1.500021274428187
Energy: 1.6036012846983554
Energy: 1.5000212744271384
Energy: 1.6036012846994039
Energy: 1.5000212744271384
Energy: 1.6023136826169286
Energy: 1.500112975084561
Energy: 1.6023136826179771
Energy: 1.500112975084561
Energy: 1.6023136826169286
Energy: 1.500112975084561
Energy: 1.5490383844891287
Energy: 1.499433221781272
Energy: 1.5490383844891287
Energy: 1.499433221781272
Energy: 1.5490383844891287
Energy: 1.499433221781272
Energy: 1.4420129460471807
Energy: 1.5005023492587786
Energy: 1.4420129460471807
Energy: 1.5005023492587786
Energy: 1.4420129460471807
Energy: 1.5005023492587786
Energy: 1.7763792024710716
Energy: 1.4028920156365667
Energy: 1.7763792024710716
Energy: 1.4028920156365667
Energy: 1.7763792024710716
Energy: 1.4028920156365667
Energy: 1.4318879819455042
Energy: 1.7664271214097147
Energy: 1.4318879819455042
Energy: 1.7664271214097147
Energy: 1.4318879819455042
Energy: 1.7664271214097147
Energy: 1.6619701884327547
Energy: 1.4010924949455057
Energy: 1.6619701884327547
Energy: 1.4010924949465067
Energy: 1.661970188433803
Energy: 1.4010924949465067
Energy: 1.5468535683722333
Energy: 1.5797549939474593
Energy: 1.5468535683722333
Energy: 1.5797549939474593
Energy: 1.5468535683722333
Energy: 1.5797549939474593
Energy: 1.6706705290890802
Energy: 1.5134522761132927
Energy: 1.6706705290890802
Energy: 1.5134522761132927
Energy: 1.6706705290890802
Energy: 1.5134522761132927
Energy: 1.4832609559979262
Energy: 1.4709057688397538
Energy: 1.4832609559979262
Energy: 1.470905768840802
Energy: 1.4832609559979262
Energy: 1.4709057688397538
Energy: 1.5782683955596948
Energy: 1.548841140875173
Energy: 1.5782683955596948
Energy: 1.548841140875173
Energy: 1.5782683955596948
Energy: 1.548841140875173
Energy: 1.587707682633531
Energy: 1.499883359979814
Energy: 1.5877076826324823
Energy: 1.499883359979814
Energy: 1.587707682633531
Energy: 1.499883359979814
Energy: 1.602162916475236
Energy: 1.6194144726816457
Energy: 1.6021629164741875
Energy: 1.6194144726805972
Energy: 1.6021629164741875
Energy: 1.6194144726805972
Energy: 1.5475074856405988
Energy: 1.4995556168257629
Energy: 1.5475074856395503
Energy: 1.4995556168257629
Energy: 1.5475074856405988
Energy: 1.4995556168257629

minimum gb energy = 1.4010924949455057 eV
minimum distance =  2.25585317578287 Angstroms
sigma value = 19


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

Energy: 1.36543138337195
Energy: 1.4081671008143708
Energy: 1.3093713834520615
Energy: 1.4081671008143708
Energy: 1.36543138337195
Energy: 1.4081671008149925
Energy: 1.554841816153822
Energy: 1.578635878921209
Energy: 1.554841816153822
Energy: 1.578635878921209
Energy: 1.554841816153822
Energy: 1.5786358789218309
Energy: 1.3112759806151764
Energy: 1.5645687000461268
Energy: 1.3112759806157983
Energy: 1.5645687000467485
Energy: 1.3112759806151764
Energy: 1.5645687000479924
Energy: 1.4535108642020065
Energy: 1.3111126411936862
Energy: 1.4535108642026284
Energy: 1.3111126411936862
Energy: 1.4535108642020065
Energy: 1.311112641194308
Energy: 1.3582497254350163
Energy: 1.3066938462375048
Energy: 1.3582497254343944
Energy: 1.3066938462375048
Energy: 1.3582497254350163
Energy: 1.3066938462375048
Energy: 1.2889692161179374
Energy: 1.306781058663241
Energy: 1.2889692161173156
Energy: 1.306781058663241
Energy: 1.2889692161179374
Energy: 1.3067810586619972
Energy: 1.3870706841336449
Energy: 1.3112226933692184
Energy: 1.3870706841342668
Energy: 1.3112226933692184
Energy: 1.3870706841336449
Energy: 1.3112226933692184
Energy: 1.3111954929111447
Energy: 1.6498204184710692
Energy: 1.311194289507474
Energy: 1.6498204184710692
Energy: 1.3111954929111447
Energy: 1.6498204184704477
Energy: 1.4973375854684958
Energy: 1.5977679603969392
Energy: 1.4973375854684958
Energy: 1.5977679603969392
Energy: 1.4973375854684958
Energy: 1.5977679603969392
Energy: 1.3093713834526834
Energy: 1.4081671008149925
Energy: 1.3093713834520615
Energy: 1.4081671008149925
Energy: 1.3093713834526834
Energy: 1.4081671008156142
Energy: 1.5548418161532
Energy: 1.578635878921209
Energy: 1.5548418161532
Energy: 1.5786358789218309
Energy: 1.5548418161532
Energy: 1.5786358789218309
Energy: 1.3112759806151764
Energy: 1.5645687000461268
Energy: 1.3112759806157983
Energy: 1.5645687000461268
Energy: 1.3112759806151764
Energy: 1.5645687000473707
Energy: 1.4535108642013848
Energy: 1.3111088548850132
Energy: 1.4535108642020065
Energy: 1.3111088548850132
Energy: 1.4535108642020065
Energy: 1.311108854886257
Energy: 1.3582497254350163
Energy: 1.306693846236883
Energy: 1.3582497254343944
Energy: 1.3066938462375048
Energy: 1.3582497254350163
Energy: 1.3066938462375048
Energy: 1.2889692161173156
Energy: 1.306781058663241
Energy: 1.2889692161173156
Energy: 1.306781058663241
Energy: 1.2889692161173156
Energy: 1.3067810586619972
Energy: 1.3870706841330227
Energy: 1.31122269336984
Energy: 1.3870706841336449
Energy: 1.31122269336984
Energy: 1.3870706841330227
Energy: 1.31122269336984
Energy: 1.311235669920414
Energy: 1.6498204184704477
Energy: 1.3112125851166196
Energy: 1.6498204184704477
Energy: 1.311235669920414
Energy: 1.6498204184704477
Energy: 1.5016565548194272
Energy: 1.5977679603969392
Energy: 1.4973375854678739
Energy: 1.5977679603969392
Energy: 1.5016565548194272
Energy: 1.5977679603969392
Energy: 1.36543138337195
Energy: 1.4081671008143708
Energy: 1.3093713834520615
Energy: 1.4081671008143708
Energy: 1.365431383371328
Energy: 1.4081671008149925
Energy: 1.554841816153822
Energy: 1.578635878920587
Energy: 1.554841816153822
Energy: 1.578635878921209
Energy: 1.554841816153822
Energy: 1.5786358789218309
Energy: 1.3112759806157983
Energy: 1.5645687000461268
Energy: 1.3112759806164198
Energy: 1.5645687000461268
Energy: 1.3112759806157983
Energy: 1.5645687000467485
Energy: 1.4535108642020065
Energy: 1.311112641194308
Energy: 1.4535108642020065
Energy: 1.311112641194308
Energy: 1.4535108642020065
Energy: 1.311112641194308
Energy: 1.3582497254343944
Energy: 1.306693846236883
Energy: 1.3582497254343944
Energy: 1.306693846236883
Energy: 1.3582497254337726
Energy: 1.3066938462381266
Energy: 1.2889692161179374
Energy: 1.306781058663241
Energy: 1.2889692161185593
Energy: 1.306781058663241
Energy: 1.2889692161179374
Energy: 1.3067810586619972
Energy: 1.3870706841330227
Energy: 1.3112226933685962
Energy: 1.3870706841336449
Energy: 1.3112226933692184
Energy: 1.3870706841330227
Energy: 1.3112226933692184
Energy: 1.3111954929117666
Energy: 1.6498204184710692
Energy: 1.3111942895068525
Energy: 1.6498204184710692
Energy: 1.3111954929117666
Energy: 1.6498204184704477
Energy: 1.4973375854678739
Energy: 1.5977679603975612
Energy: 1.497337585467252
Energy: 1.5977679603969392
Energy: 1.4973375854678739
Energy: 1.5977679603969392
Energy: 1.3093713834520615
Energy: 1.4081671008149925
Energy: 1.3093713834520615
Energy: 1.4081671008149925
Energy: 1.3093713834520615
Energy: 1.4081671008156142
Energy: 1.554841816153822
Energy: 1.578635878921209
Energy: 1.554841816153822
Energy: 1.578635878921209
Energy: 1.554841816154444
Energy: 1.5786358789218309
Energy: 1.3112759806157983
Energy: 1.5645687000455049
Energy: 1.3112759806157983
Energy: 1.5645687000455049
Energy: 1.3112759806151764
Energy: 1.5645687000467485

minimum gb energy = 1.2889692161173156 eV
minimum distance =  2.26365532109371 Angstroms
sigma value = 27


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

Energy: 1.281246427929935
Energy: 1.2424519026823917
Energy: 1.281246427929935
Energy: 1.242451902680868
Energy: 1.281246427929935
Energy: 1.2424519026823917
Energy: 1.6545523214368067
Energy: 1.2861800047250398
Energy: 1.6545523214368067
Energy: 1.2861800047250398
Energy: 1.6545523214368067
Energy: 1.2861800047250398
Energy: 1.3557313595453873
Energy: 1.4336823733035036
Energy: 1.2056024879054452
Energy: 1.4336823733035036
Energy: 1.3557313595453873
Energy: 1.4336823733035036
Energy: 1.4029827450213697
Energy: 1.2062025261285272
Energy: 1.4029827450213697
Energy: 1.2062025261285272
Energy: 1.4029827450198462
Energy: 1.2062025261285272
Energy: 1.6451067069823444
Energy: 1.2066171282014686
Energy: 1.6451067069838676
Energy: 1.2066171282014686
Energy: 1.6451067069838676
Energy: 1.2066171282014686
Energy: 1.440808909367713
Energy: 1.4977696837923309
Energy: 1.4408089093692364
Energy: 1.4977696837923309
Energy: 1.440808909367713
Energy: 1.4977696837923309
Energy: 1.2076035709244943
Energy: 1.2884572886914432
Energy: 1.2076035709244943
Energy: 1.2884572886914432
Energy: 1.2076035709244943
Energy: 1.2884572886899543
Energy: 1.2770701025059772
Energy: 1.2487155133857655
Energy: 1.2770701025059772
Energy: 1.2487155133857655
Energy: 1.2770701025059772
Energy: 1.2487155133857655
Energy: 1.619617113039819
Energy: 1.3263702523375038
Energy: 1.619617113039819
Energy: 1.3263702518761262
Energy: 1.619617113039819
Energy: 1.326370249515955
Energy: 1.3840896597520007
Energy: 1.4435640428977357
Energy: 1.3840896597520007
Energy: 1.4435640428962127
Energy: 1.3840896597520007
Energy: 1.4435640428962127
Energy: 1.341048172087845
Energy: 1.2068511904383759
Energy: 1.341048172087845
Energy: 1.2068511904383759
Energy: 1.341048172087845
Energy: 1.2068511904368526
Energy: 1.4963496733604695
Energy: 1.3663460626730837
Energy: 1.4963496733619932
Energy: 1.3663460626730837
Energy: 1.4963496733619932
Energy: 1.3663460626730837

minimum gb energy = 1.2056024879054452 eV
minimum distance =  2.24682170979786 Angstroms
sigma value = 9


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

Energy: 1.2423673477325237
Energy: 1.2659184806970007
Energy: 1.2423673477320956
Energy: 1.2659184806974286
Energy: 1.242367347732952
Energy: 1.2659184806970007
Energy: 1.29873908252901
Energy: 1.1412619444099064
Energy: 1.2987390825307223
Energy: 1.2034478392563375
Energy: 1.2987390825294383
Energy: 1.2034478392563375
Energy: 1.134295024284712
Energy: 1.348302509997034
Energy: 1.134295024283856
Energy: 1.3483025099978903
Energy: 1.134295024284712
Energy: 1.3483025099996024
Energy: 1.1251215272572153
Energy: 1.0949414042643504
Energy: 1.125121527258071
Energy: 1.0949414042647787
Energy: 1.125121527258071
Energy: 1.0949414042647787
Energy: 1.2230622748487623
Energy: 1.170883149130696
Energy: 1.2230622748491904
Energy: 1.1708831491294118
Energy: 1.2230622748483342
Energy: 1.170883149131124
Energy: 1.2190422475306781
Energy: 1.2509003062225188
Energy: 1.2190422475302891
Energy: 1.2260977120435457
Energy: 1.219042247528577
Energy: 1.2260977120431176
Energy: 1.151521513126826
Energy: 1.2731960096403565
Energy: 1.151521513126826
Energy: 1.2731960096395005
Energy: 1.1515215131276824
Energy: 1.2731960096403565
Energy: 1.0672375358212602
Energy: 1.3149145977405465
Energy: 1.0672375358208321
Energy: 1.3149145977401184
Energy: 1.0672375358216881
Energy: 1.3149145977405465
Energy: 1.2450769310013405
Energy: 1.1709935606520117
Energy: 1.2450769310030527
Energy: 1.1709935606515836
Energy: 1.2450769310013405
Energy: 1.1709935606524395
Energy: 1.2265852882129704
Energy: 1.5657882935480623
Energy: 1.2265852882129704
Energy: 1.565788293545922
Energy: 1.2265852882133983
Energy: 1.5657882935463499
Energy: 1.128853529021284
Energy: 1.1000232881384744
Energy: 1.128853529020428
Energy: 1.1000232881384744
Energy: 1.128853529020856
Energy: 1.1000232881384744
Energy: 1.161245080579838
Energy: 1.302813004117337
Energy: 1.1612450805802657
Energy: 1.302813004117765
Energy: 1.1612450805802657
Energy: 1.302813004117337
Energy: 1.1903226375548714
Energy: 1.2084490987578824
Energy: 1.1903226375540155
Energy: 1.2084490987574548
Energy: 1.1903226375552998
Energy: 1.2084490987583107
Energy: 1.2388365855363883
Energy: 1.5960356881195714
Energy: 1.2388365855368164
Energy: 1.5960356881195714
Energy: 1.2388365855372447
Energy: 1.5960356881195714
Energy: 1.1123491006232396
Energy: 1.2333132759769345
Energy: 1.1123491006236677
Energy: 1.2333132759782186
Energy: 1.1123491006236677
Energy: 1.2333132759786467
Energy: 1.136073991777189
Energy: 1.1526094682259271
Energy: 1.136073991777189
Energy: 1.1526094682259271
Energy: 1.1360739917767608
Energy: 1.1526094682250712
Energy: 1.4510178013331891
Energy: 1.0945943015807698
Energy: 1.4510178013336172
Energy: 1.0945943015807698
Energy: 1.4510178013331891
Energy: 1.0945943015807698
Energy: 1.1241518119041936
Energy: 1.1721105578000968
Energy: 1.1241518119046219
Energy: 1.1721105578005246
Energy: 1.1241518119041936
Energy: 1.1721105578013808
Energy: 1.063364809603498
Energy: 1.5187245051813185
Energy: 1.0633648096030701
Energy: 1.5187245051808902
Energy: 1.0633648096030701
Energy: 1.5187245051817466
Energy: 1.5630965332284092
Energy: 1.3472296955000413
Energy: 1.563096533227553
Energy: 1.3771617149061268
Energy: 1.563096533227981
Energy: 1.377161714906555
Energy: 1.063334021113004
Energy: 1.52659313511414
Energy: 1.0633340211133933
Energy: 1.5265931351137119
Energy: 1.0633340211138211
Energy: 1.52659313511414
Energy: 1.1243396337151152
Energy: 1.1722809419461253
Energy: 1.1243396337172553
Energy: 1.1722809419465532
Energy: 1.1243396337172553
Energy: 1.1722809419465532
Energy: 1.4507575534789336
Energy: 1.094505986781164
Energy: 1.4507575534780777
Energy: 1.0945059867798799
Energy: 1.4507575534789336
Energy: 1.094505986780736
Energy: 1.1360493567786458
Energy: 1.2150242022011408
Energy: 1.1360493567769339
Energy: 1.215024202201569
Energy: 1.1360493567769339
Energy: 1.2150242022011408
Energy: 1.1122969514532821
Energy: 1.233336738873957
Energy: 1.1122969514537102
Energy: 1.233336738873957
Energy: 1.1122969514537102
Energy: 1.2333367388735288
Energy: 1.2391563257773914
Energy: 1.3503512096542465
Energy: 1.2391563257773914
Energy: 1.3503512096542465
Energy: 1.2391563257782476
Energy: 1.3503512096533903
Energy: 1.1887942102959193
Energy: 1.2079909594676448
Energy: 1.1887942102959193
Energy: 1.2079909594676448
Energy: 1.1887942102959193
Energy: 1.207990959468073
Energy: 1.161321272265592
Energy: 1.1786467695469678
Energy: 1.161321272265592
Energy: 1.178646769547396
Energy: 1.16132127226602
Energy: 1.1786467695469678
Energy: 1.1288307395187034
Energy: 1.0999401646492133
Energy: 1.1288307395182753
Energy: 1.099940164648785
Energy: 1.1288307395191313
Energy: 1.099940164648785
Energy: 1.2257378583988254
Energy: 1.3210046301108112
Energy: 1.2257378583983973
Energy: 1.3210046301120955
Energy: 1.2257378583992533
Energy: 1.321004630107815
Energy: 1.2456106264179652
Energy: 1.1715587406216192
Energy: 1.2456106264179652
Energy: 1.1715587406229033
Energy: 1.2456106264201057
Energy: 1.1715587406233314
Energy: 1.0673946752191243
Energy: 1.3149869037107893
Energy: 1.0673946752195522
Energy: 1.3149869037103614
Energy: 1.0673946752191243
Energy: 1.3149869037107893
Energy: 1.151720389198134
Energy: 1.2724614800599534
Energy: 1.151720389198562
Energy: 1.2724614800599534
Energy: 1.151720389198134
Energy: 1.2724614800599534
Energy: 1.2191950980404498
Energy: 1.2197120827483992
Energy: 1.2191950980395938
Energy: 1.2197120827483992
Energy: 1.2191950980400217
Energy: 1.2197120827483992
Energy: 1.2230377534649808
Energy: 1.1712509010131238
Energy: 1.2230377534654089
Energy: 1.1712509010122676
Energy: 1.2230377534649808
Energy: 1.1712509010122676
Energy: 1.1251780433120504
Energy: 1.094747987680919
Energy: 1.1251780433116223
Energy: 1.094747987681775
Energy: 1.1251780433111942
Energy: 1.094747987681347
Energy: 1.13435994489637
Energy: 1.348568953941047
Energy: 1.13435994489637
Energy: 1.3485689539431873
Energy: 1.1343599448959418
Energy: 1.348568953939763
Energy: 1.299084008890358
Energy: 1.1851374716788707
Energy: 1.2990840088924982
Energy: 1.1851374716788707
Energy: 1.2990840088937823
Energy: 1.1851374716788707
Energy: 1.242367347733808
Energy: 1.2659184806970007
Energy: 1.242367347733808
Energy: 1.2659184806961445
Energy: 1.242367347733808
Energy: 1.2659184806970007
Energy: 1.2987390825324343
Energy: 1.2034478392563375
Energy: 1.2987390825307223
Energy: 1.2034478392559094
Energy: 1.2987390825281542
Energy: 1.2034478392559094
Energy: 1.134295024284284
Energy: 1.34830250999575
Energy: 1.1342950242829999
Energy: 1.348302509995322
Energy: 1.134295024284284
Energy: 1.348302509994894
Energy: 1.1251215272589272
Energy: 1.0949414042682029
Energy: 1.125121527259355
Energy: 1.094941404268631
Energy: 1.125121527258071
Energy: 1.094941404268631
Energy: 1.2230622748483342
Energy: 1.170883149131552
Energy: 1.2230622748483342
Energy: 1.170883149130696
Energy: 1.2230622748474782
Energy: 1.1708831491319802

minimum gb energy = 1.063334021113004 eV
minimum distance =  2.31332159256267 Angstroms
sigma value = 57


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

Energy: 0.6839966677462118
Energy: 0.6733158841597177
Energy: 0.5358191840521465
Energy: 0.6733158841597177
Energy: 0.6839966677462118
Energy: 0.6733158841606919
Energy: 0.8229068923919194
Energy: 0.680368789255271
Energy: 0.8229068923909449
Energy: 0.680368789255271
Energy: 0.8229068923919194
Energy: 0.680368789255271
Energy: 0.7298796977232799
Energy: 1.3270834064164487
Energy: 0.7298796977232799
Energy: 1.327083406417423
Energy: 0.7298796977232799
Energy: 1.3270834064164487
Energy: 0.6747418209086824
Energy: 0.5355039557044968
Energy: 0.6747418209086824
Energy: 0.5355039557044968
Energy: 0.6747418209086824
Energy: 0.5355039557044968
Energy: 0.6942116925022268
Energy: 0.827942971183273
Energy: 0.6942116925022268
Energy: 0.827942971183273
Energy: 0.6942116925022268
Energy: 0.827942971183273
Energy: 0.5356699053754229
Energy: 0.7302565807132424
Energy: 0.5356699053754229
Energy: 0.7302565807142167
Energy: 0.5356699053744487
Energy: 0.7302565807132424
Energy: 0.535680888147531
Energy: 0.6045862107835746
Energy: 0.535680888147531
Energy: 0.6045862107826002
Energy: 0.535680888147531
Energy: 0.6045862107816258
Energy: 0.8232861917486318
Energy: 0.7004567194986105
Energy: 0.823286191746683
Energy: 0.700456719499585
Energy: 0.823286191749606
Energy: 0.7004567194986105
Energy: 0.6749426659683596
Energy: 0.5355027100863251
Energy: 0.674942665969334
Energy: 0.5355027100863251
Energy: 0.6749426659683596
Energy: 0.5355027100843764
Energy: 0.6043860710513638
Energy: 0.8220009694089535
Energy: 0.6043860710542868
Energy: 0.8220009694089535
Energy: 0.6043860710533124
Energy: 0.8220009694089535
Energy: 0.6940490369836628
Energy: 0.8727751968482416
Energy: 0.6940490369836628
Energy: 0.872775196846293
Energy: 0.6940490369836628
Energy: 0.872775196849216
Energy: 0.6839966677462118
Energy: 0.6733158841606919
Energy: 0.5358191840521465
Energy: 0.6733158841606919
Energy: 0.6839966677462118
Energy: 0.6733158841616663
Energy: 0.8229068923909449
Energy: 0.6803687892562453
Energy: 0.8229068923899705
Energy: 0.680368789255271
Energy: 0.8229068923909449
Energy: 0.6803687892542966
Energy: 0.7298796977232799
Energy: 1.3270834064164487
Energy: 0.7298796977242542
Energy: 1.3270834064164487
Energy: 0.7298796977232799
Energy: 1.3270834064154744
Energy: 0.6747418209086824
Energy: 0.5355039557044968
Energy: 0.6747418209086824
Energy: 0.5355039557054712
Energy: 0.6747418209086824
Energy: 0.5355039557054712
Energy: 0.6942116925022268
Energy: 0.827942971183273
Energy: 0.694211692500278
Energy: 0.827942971183273
Energy: 0.6942116925012524
Energy: 0.8279429711842474
Energy: 0.5356699053763974
Energy: 0.730256580712268
Energy: 0.5356699053763974
Energy: 0.730256580712268
Energy: 0.5356699053763974
Energy: 0.730256580712268
Energy: 0.535680888147531
Energy: 0.6045862107835746
Energy: 0.5356808881465568
Energy: 0.6045862107835746
Energy: 0.535680888147531
Energy: 0.6045862107826002
Energy: 0.8232861917476575
Energy: 0.7004567194986105
Energy: 0.8232861917457086
Energy: 0.7004567194986105
Energy: 0.8232861917476575
Energy: 0.7004567194986105

minimum gb energy = 0.5355027100843764 eV
minimum distance =  2.40705820016661 Angstroms
sigma value = 11


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

Energy: 1.1103202054967467
Energy: 1.1657777311592932
Energy: 1.1103202054967467
Energy: 1.1657777311592932
Energy: 1.110320205496033
Energy: 1.1657777311592932
Energy: 1.2645772011363214
Energy: 1.15535804444569
Energy: 1.264577201137749
Energy: 1.15535804444569
Energy: 1.264577201137035
Energy: 1.15535804444569
Energy: 1.322558950992531
Energy: 1.6244358794272422
Energy: 1.379117729546556
Energy: 1.6244358794272422
Energy: 1.3426156117261012
Energy: 1.6244358794258145
Energy: 1.3635220314102598
Energy: 0.9938107136640146
Energy: 1.3635220314102598
Energy: 0.9938107136647285
Energy: 1.3635220314102598
Energy: 0.9938107136647285
Energy: 1.1335187758988756
Energy: 0.9367687971949821
Energy: 1.1335187758988756
Energy: 0.9367687971942685
Energy: 1.1335187758988756
Energy: 0.9367687971942685
Energy: 1.1234344276937265
Energy: 1.066351585090067
Energy: 1.1234344276937265
Energy: 1.0663515850879257
Energy: 1.1234344276937265
Energy: 1.0663515850886396
Energy: 0.9658989359028126
Energy: 1.3350420395302933
Energy: 0.96589893590424
Energy: 1.335042039531721
Energy: 0.9658989359056676
Energy: 1.3350420395302933
Energy: 1.1735126638357711
Energy: 0.9046755214984787
Energy: 1.1735126638357711
Energy: 0.9046755214984787
Energy: 1.1735126638350575
Energy: 0.9046755214984787
Energy: 1.170045304625617
Energy: 0.9207122824218575
Energy: 1.170045304624903
Energy: 0.920712282421144
Energy: 1.170045304625617
Energy: 0.920712282421144
Energy: 0.924550336225826
Energy: 1.4423642411858733
Energy: 0.9245503362236849
Energy: 1.4423642411858733
Energy: 0.9245503362251123
Energy: 1.4423642411858733
Energy: 1.1467187817515552
Energy: 1.4271250687105201
Energy: 1.1467187817515552
Energy: 1.4271250687105201
Energy: 1.1467187817515552
Energy: 1.4271250687105201
Energy: 1.135386017642551
Energy: 0.936931375106521
Energy: 1.135386017642551
Energy: 0.9369313751072347
Energy: 1.1353860176439785
Energy: 0.9369313751072347
Energy: 1.2021764964800696
Energy: 0.9995380188724687
Energy: 1.2021764964800696
Energy: 0.9995380188731824
Energy: 1.2021764964807833
Energy: 0.9995380188724687
Energy: 1.2739958969705514
Energy: 1.5921217036283495
Energy: 1.273995896971265
Energy: 1.5921217036283495
Energy: 1.273995896971265
Energy: 1.5921217036290631
Energy: 1.2412734405413648
Energy: 1.1546397082239868
Energy: 1.2412734405413648
Energy: 1.1546397082239868
Energy: 1.2412734405413648
Energy: 1.154639708223273
Energy: 1.0218972609150354
Energy: 1.1659817736227387
Energy: 1.021897260916463
Energy: 1.1659817736227387
Energy: 1.021897260916463
Energy: 1.1659817736227387
Energy: 1.0475856172370897
Energy: 1.1340577870455117
Energy: 1.0475856172363762
Energy: 1.1340577870469393
Energy: 1.0475856172356623
Energy: 1.1340577870462256
Energy: 1.4557410618967679
Energy: 1.5527371843715583
Energy: 1.455741061896054
Energy: 1.5527371843708444
Energy: 1.455741061896054
Energy: 1.5527371843715583
Energy: 1.358861910350491
Energy: 0.9894027101593232
Energy: 1.3588619103512045
Energy: 0.9894027101586094
Energy: 1.358861910350491
Energy: 0.9894027101586094
Energy: 1.1349077844235747
Energy: 1.0684117000743332
Energy: 1.134907784425002
Energy: 1.0684117000743332
Energy: 1.1349077844235747
Energy: 1.0684117000743332
Energy: 0.9261767881766257
Energy: 1.0677250453599674
Energy: 0.9261767881766257
Energy: 1.0677250453592535
Energy: 0.9261767881766257
Energy: 1.0677250453592535
Energy: 1.2213146196644435
Energy: 1.3354585367893186
Energy: 1.2213146196623024
Energy: 1.3354585367893186
Energy: 1.2213146196623024
Energy: 1.3354585367893186
Energy: 1.196741580684772
Energy: 1.0929105993716854
Energy: 1.1967415806854858
Energy: 1.0929105993716854
Energy: 1.196741580684772
Energy: 1.0929105993723989
Energy: 1.170649339173584
Energy: 1.034210222377908
Energy: 1.170649339173584
Energy: 1.034210222377908
Energy: 1.170649339173584
Energy: 1.0342102223771938
Energy: 0.9260232166876534
Energy: 1.4025057073844236
Energy: 0.9260232166876534
Energy: 1.402505707382996
Energy: 0.9260232166876534
Energy: 1.40250570738371
Energy: 1.6402499214625745
Energy: 1.4294145955826059
Energy: 1.6402499214625745
Energy: 1.4294145955826059
Energy: 1.6402499214632882
Energy: 1.4294145955818922

minimum gb energy = 0.9046755214984787 eV
minimum distance =  2.30017236670063 Angstroms
sigma value = 41


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

Energy: 1.2608391343166192
Energy: 1.094571884250658
Energy: 1.2608391343171819
Energy: 1.094571884250658
Energy: 1.2608391343166192
Energy: 1.0945718842500953
Energy: 1.320117013284757
Energy: 1.3516605053350728
Energy: 1.3201170132841946
Energy: 1.3516605053350728
Energy: 1.3201170132841946
Energy: 1.3516605053350728
Energy: 1.6096942478171357
Energy: 1.8453661463625406
Energy: 1.609694247817698
Energy: 1.8453661463625406
Energy: 1.6096942478171357
Energy: 1.8453661463625406
Energy: 1.277103600037179
Energy: 1.0434927972792316
Energy: 1.2771036000377411
Energy: 1.0434927972792316
Energy: 1.277103600037179
Energy: 1.0434927972797945
Energy: 1.0112211928090502
Energy: 1.0938357055854917
Energy: 1.0112211928084878
Energy: 1.0938357055849293
Energy: 1.0112211928084878
Energy: 1.0938357055854917
Energy: 1.293035980335433
Energy: 1.2763449857981075
Energy: 1.2930359803359954
Energy: 1.2763449857981075
Energy: 1.2930359803348703
Energy: 1.2763449857981075
Energy: 1.051668555947519
Energy: 1.4399458670214824
Energy: 1.0516685559469563
Energy: 1.43994586702092
Energy: 1.0516685559469563
Energy: 1.4399458670214824
Energy: 1.0302579588710934
Energy: 1.0437865876935803
Energy: 1.030257958870531
Energy: 1.0437865876935803
Energy: 1.030257958870531
Energy: 1.043786587693018
Energy: 1.0228079655779938
Energy: 1.0699077571459528
Energy: 1.0228079655779938
Energy: 1.0699077571459528
Energy: 1.0228079655779938
Energy: 1.0699077571459528
Energy: 1.1313860371748408
Energy: 1.563388201326327
Energy: 1.1313860371754034
Energy: 1.563388201326327
Energy: 1.1313860371754034
Energy: 1.563388201326327
Energy: 1.134223972121401
Energy: 1.5582727311853073
Energy: 1.134223972121401
Energy: 1.5582727311847446
Energy: 1.1342239721202758
Energy: 1.5582727311847446
Energy: 1.0329130149119643
Energy: 1.216733701061195
Energy: 1.0329130149119643
Energy: 1.2167337010606325
Energy: 1.0329130149119643
Energy: 1.216733701061195
Energy: 1.0213724946681877
Energy: 1.0659611188910951
Energy: 1.0213724946681877
Energy: 1.0659611188910951
Energy: 1.0213724946676253
Energy: 1.0659611188910951
Energy: 0.9795515042630607
Energy: 1.4508239402625287
Energy: 0.9795515042624983
Energy: 1.4508239402630911
Energy: 0.9795515042624983
Energy: 1.4508239402630911
Energy: 1.2883069534797265
Energy: 1.276188287176794
Energy: 1.2883069534797265
Energy: 1.2761882871762316
Energy: 1.288306953480289
Energy: 1.276188287176794
Energy: 1.0197454552029968
Energy: 1.2145642294137897
Energy: 1.0197454552029968
Energy: 1.2145642294137897
Energy: 1.0197454552035594
Energy: 1.21456422941604
Energy: 1.0432805762905768
Energy: 1.0662445285822602
Energy: 1.0432805762905768
Energy: 1.0662445285822602
Energy: 1.0432805762905768
Energy: 1.0662445285822602
Energy: 1.3717741818555256
Energy: 1.8446749188887661
Energy: 1.3717741818555256
Energy: 1.8446749188887661
Energy: 1.3717741818549631
Energy: 1.8446749188887661
Energy: 1.3547561012337872
Energy: 1.3472512358724815
Energy: 1.354756101232662
Energy: 1.3472512358724815
Energy: 1.3547561012343499
Energy: 1.3472512358724815
Energy: 1.1315207434611176
Energy: 1.388006922133704
Energy: 1.1315207434611176
Energy: 1.3880069221342666
Energy: 1.1315207434605548
Energy: 1.388006922133704
Energy: 1.0236792353643058
Energy: 1.353446675402715
Energy: 1.0236792353643058
Energy: 1.3534466754032777
Energy: 1.0236792353648685
Energy: 1.353446675402715
Energy: 1.6086426627169175
Energy: 1.6755384262319701
Energy: 1.6086426627180426
Energy: 1.6755384262330952
Energy: 1.6086426627169175
Energy: 1.6755384262325326
Energy: 1.22107106764891
Energy: 1.0406926176643934
Energy: 1.2210710676483476
Energy: 1.0406926176643934
Energy: 1.22107106764891
Energy: 1.0406926176643934
Energy: 1.019626193071442
Energy: 1.3819019277180382
Energy: 1.0196261930708794
Energy: 1.3819019277186007
Energy: 1.019626193071442
Energy: 1.3819019277186007
Energy: 0.9797290080847478
Energy: 1.4262630439235895
Energy: 0.9797290080841853
Energy: 1.4262630439235895
Energy: 0.9797290080853105
Energy: 1.4262630439235895
Energy: 1.051696641468568
Energy: 1.0516456457101246
Energy: 1.0516966414691304
Energy: 1.0516456457106873
Energy: 1.051696641468568
Energy: 1.0516456457101246
Energy: 1.0213284342179194
Energy: 1.041118931227247
Energy: 1.0213284342184819
Energy: 1.041118931227247
Energy: 1.0213284342179194
Energy: 1.041118931227247
Energy: 1.0226021030601649
Energy: 1.3529741418542318
Energy: 1.0226021030596024
Energy: 1.3529741418542318
Energy: 1.0226021030607275
Energy: 1.3529741418542318
Energy: 1.1315423635983324
Energy: 1.3860977735013629
Energy: 1.13154236359777
Energy: 1.3860977735008004
Energy: 1.131542363598895
Energy: 1.3860977735013629
Energy: 1.2425038195000553
Energy: 0.9786522163869354
Energy: 1.2425038194989304
Energy: 0.9786522163869354
Energy: 1.2425038195000553
Energy: 0.9786522163869354
Energy: 1.0070346289989112
Energy: 1.2122585849721617
Energy: 1.0070346289994736
Energy: 1.2122585849721617
Energy: 1.0070346289994736
Energy: 1.212258584971599
Energy: 1.0547723713328638
Energy: 1.0651528401819406
Energy: 1.0547723713328638
Energy: 1.065152840182503
Energy: 1.0547723713328638
Energy: 1.0651528401813781
Energy: 0.9880609826534529
Energy: 1.2413182305888435
Energy: 0.9880609826528902
Energy: 1.241318230588281
Energy: 0.9880609826534529
Energy: 1.2413182305888435

minimum gb energy = 0.9786522163869354 eV
minimum distance =  2.34074874145571 Angstroms
sigma value = 33


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

Energy: 1.195340073619504
Energy: 1.1190347726795231
Energy: 1.1953400736187143
Energy: 1.1190347726790921
Energy: 1.1953400736183555
Energy: 1.1190347726795231
Energy: 1.2333758532781474
Energy: 1.0588738183995412
Energy: 1.2333758532762094
Energy: 1.0588738183987516
Energy: 1.2333758532797263
Energy: 1.0588738183987516
Energy: 1.4657724576683298
Energy: 1.2980210203051068
Energy: 1.4657724576683298
Energy: 1.2980210203051068
Energy: 1.4657724576687603
Energy: 1.2980210203051068
Energy: 1.1452564588271077
Energy: 1.0755213217027293
Energy: 1.1452564588251697
Energy: 1.0755213217027293
Energy: 1.1452564588329939
Energy: 1.0755213217023705
Energy: 1.107901803540054
Energy: 1.074734513024611
Energy: 1.1079018035392645
Energy: 1.0747345130274106
Energy: 1.1079018035396235
Energy: 1.0747345130269799
Energy: 1.4559122100604678
Energy: 1.1079563210002144
Energy: 1.455912210060109
Energy: 1.1079563209994248
Energy: 1.455912210060109
Energy: 1.1079563210002144
Energy: 1.1265960018367613
Energy: 1.2483825934825972
Energy: 1.1265960018371204
Energy: 1.2483825934818076
Energy: 1.1265960018367613
Energy: 1.248382593481018
Energy: 1.1804169602214294
Energy: 1.2146627111370396
Energy: 1.180416960222578
Energy: 1.2146627111386186
Energy: 1.1804169602214294
Energy: 1.2146627111381882
Energy: 1.1378034186341692
Energy: 1.122115416900938
Energy: 1.1378034186274217
Energy: 1.1221154169001484
Energy: 1.137803418628642
Energy: 1.122115416900938
Energy: 1.5098364253559902
Energy: 1.0977754740437795
Energy: 1.5098364253552004
Energy: 1.0977754740441383
Energy: 1.5098364253559902
Energy: 1.0977754740437795
Energy: 1.1791412754941122
Energy: 1.1801875768623968
Energy: 1.1791412754949018
Energy: 1.1801875768628276
Energy: 1.1791412754941122
Energy: 1.1801875768631864
Energy: 1.6969521806006609
Energy: 1.0751925364246857
Energy: 1.6969521806014505
Energy: 1.0751925364246857
Energy: 1.6969521806014505
Energy: 1.0751925364251165
Energy: 1.1283562702614038
Energy: 1.140458995645596
Energy: 1.1283562702614038
Energy: 1.140458995644447
Energy: 1.128356270260614
Energy: 1.14045899563691
Energy: 1.225056632400998
Energy: 1.1822275211500946
Energy: 1.2250566324017875
Energy: 1.182227521150525
Energy: 1.2250566324017875
Energy: 1.182227521150525
Energy: 1.214046222127075
Energy: 1.1271114446893855
Energy: 1.2140462221266441
Energy: 1.1271114446893855
Energy: 1.2140462221274337
Energy: 1.1271114446898158
Energy: 1.1325730597540502
Energy: 1.4579880384347452
Energy: 1.1325730597551988
Energy: 1.4579880384343147
Energy: 1.1325730597544095
Energy: 1.4579880384343147
Energy: 1.4029463366533956
Energy: 1.1033651685248442
Energy: 1.4029463366442791
Energy: 1.1033651685244137
Energy: 1.4029463366423411
Energy: 1.1033651685248442
Energy: 1.071118253579004
Energy: 1.1491796516066146
Energy: 1.071118253579004
Energy: 1.1491796516069737
Energy: 1.0711182535786452
Energy: 1.149179651605825
Energy: 1.5074368433665197
Energy: 1.461476784098443
Energy: 1.50743684336573
Energy: 1.4614767840980125
Energy: 1.5074368433649403
Energy: 1.4614767840980125
Energy: 1.6794431824612124
Energy: 1.1261072051337775
Energy: 1.6794431824624327
Energy: 1.1261072051333467
Energy: 1.6794431824616431
Energy: 1.126107205134926
Energy: 1.115163322994055
Energy: 1.195872634452433
Energy: 1.1151633229932654
Energy: 1.1958726344520025
Energy: 1.1151633229936242
Energy: 1.195872634452433
Energy: 1.0559610811232718
Energy: 1.2391114141114434
Energy: 1.0559610811232718
Energy: 1.2391114141118023
Energy: 1.055961081122841
Energy: 1.239111414112233
Energy: 1.2147205142852726
Energy: 1.3904675161477498
Energy: 1.2147205142849138
Energy: 1.3904675161481088
Energy: 1.2147205142852726
Energy: 1.3904675161477498
Energy: 1.1044611689438444
Energy: 1.4376285952987207
Energy: 1.104461168943055
Energy: 1.4376285952983618
Energy: 1.1044611689434853
Energy: 1.4376285952987207
Energy: 1.0811759462435147
Energy: 1.1035922483907807
Energy: 1.081175946242366
Energy: 1.1035922483912115
Energy: 1.081175946246673
Energy: 1.1035922483912115
Energy: 1.1065291481273667
Energy: 1.4552284891272094
Energy: 1.106529148125429
Energy: 1.4552284891275684
Energy: 1.1065291481242086
Energy: 1.4552284891275684
Energy: 1.2349685828529517
Energy: 1.129571262961445
Energy: 1.2349685828533823
Energy: 1.1295712629610142
Energy: 1.2349685828537413
Energy: 1.1295712629610142
Energy: 1.190619943843988
Energy: 1.0820757360582767
Energy: 1.190619943843988
Energy: 1.0820757360587072
Energy: 1.1906199438435572
Energy: 1.0820757360587072
Energy: 1.1237040630287942
Energy: 1.139312999743748
Energy: 1.1237040630283635
Energy: 1.1393129997445375
Energy: 1.123704063029153
Energy: 1.1393129997441787
Energy: 1.0908433341060657
Energy: 1.507790419218544
Energy: 1.0908433341060657
Energy: 1.507790419218185
Energy: 1.090843334103697
Energy: 1.507790419218544
Energy: 1.1465379775236826
Energy: 1.0705458953582216
Energy: 1.1465379775236826
Energy: 1.0705458953577909
Energy: 1.1465379775236826
Energy: 1.070545895357432
Energy: 1.1043288312080506
Energy: 1.6990047573396536
Energy: 1.1043288312088402
Energy: 1.6990047573392226
Energy: 1.104328831209199
Energy: 1.6990047573396536
Energy: 1.6804920924624533
Energy: 1.1307335482608252
Energy: 1.6804920924620226
Energy: 1.1307335482603942
Energy: 1.6804920924628124
Energy: 1.1307335482611838
Energy: 1.178666804775229
Energy: 1.2166135393285573
Energy: 1.178666804775229
Energy: 1.216613539327768
Energy: 1.1786668047748698
Energy: 1.216613539327768
Energy: 1.1784585770112335
Energy: 1.2166625139256568
Energy: 1.1784585770096543
Energy: 1.216662513925298
Energy: 1.178458577012023
Energy: 1.2166625139256568
Energy: 1.6801037626486255
Energy: 1.1307202262956468
Energy: 1.6801037626481952
Energy: 1.1307202262956468
Energy: 1.6801037626481952
Energy: 1.1307202262956468
Energy: 1.1044343929525289
Energy: 1.6989249911467263
Energy: 1.1044343929528881
Energy: 1.6989249911459365
Energy: 1.1044343929533185
Energy: 1.6989249911467263
Energy: 1.146980801801741
Energy: 1.0708106295225557
Energy: 1.1469808018020997
Energy: 1.0708106295221251
Energy: 1.1469808018013101
Energy: 1.0708106295225557
Energy: 1.0907819975900779
Energy: 1.5081439117027684
Energy: 1.0907819975900779
Energy: 1.5081439117035582
Energy: 1.0907819975897188
Energy: 1.5081439117035582
Energy: 1.1237738315879393
Energy: 1.139373912774371
Energy: 1.1237738315875803
Energy: 1.139373912766475
Energy: 1.1237738315871497
Energy: 1.1393739127731504
Energy: 1.190637854177914
Energy: 1.072730724696859
Energy: 1.190637854177124
Energy: 1.0727307246964282
Energy: 1.1906378541766933
Energy: 1.072730724696859
Energy: 1.2345966292207762
Energy: 1.1294850197591801
Energy: 1.2345966292203454
Energy: 1.1294850197591801
Energy: 1.2345966292207762
Energy: 1.1294850197596107
Energy: 1.1064004411390411
Energy: 1.455117794562784
Energy: 1.1064004411394714
Energy: 1.4551177945632148
Energy: 1.1064004411394714
Energy: 1.4551177945635736
Energy: 1.0743709891779778
Energy: 1.103539079132193
Energy: 1.0743709891751783
Energy: 1.1035390791314035
Energy: 1.0743709891748194
Energy: 1.103539079132193
Energy: 1.104515284877248
Energy: 1.4377276807544808
Energy: 1.1045152848764583
Energy: 1.4377276807536912
Energy: 1.1045152848768889
Energy: 1.4377276807536912
Energy: 1.215056259950314
Energy: 1.3901856101430856
Energy: 1.2150562599498835
Energy: 1.3901856101427263
Energy: 1.2150562599511037
Energy: 1.3901856101430856
Energy: 1.0562496597862938
Energy: 1.2384957238832468
Energy: 1.0562496597870836
Energy: 1.2384957238851848
Energy: 1.0562496597866529
Energy: 1.2384957238856158

minimum gb energy = 1.055961081122841 eV
minimum distance =  2.32372849410048 Angstroms
sigma value = 67


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

Energy: 1.1841330817018119
Energy: 1.1175785192845007
Energy: 1.1841330817018119
Energy: 1.1175785192845007
Energy: 1.1841330817018119
Energy: 1.1175785192845007
Energy: 1.1047578483540434
Energy: 1.0850240556021973
Energy: 1.1047578483540434
Energy: 1.0850240556021973
Energy: 1.1047578483540434
Energy: 1.0850240556021973
Energy: 1.6841087450031305
Energy: 1.4351986487009398
Energy: 1.6841087450031305
Energy: 1.4351986487009398
Energy: 1.6841087450031305
Energy: 1.4351986487009398
Energy: 1.1047965938694229
Energy: 1.0850288778618082
Energy: 1.1047965938694229
Energy: 1.0850288778618082
Energy: 1.1047965938694229
Energy: 1.0850288778618082
Energy: 1.1841330817018119
Energy: 1.1175785192845007
Energy: 1.1841330817018119
Energy: 1.1175785192845007
Energy: 1.1841330817018119
Energy: 1.1175785192845007
Energy: 1.1047578483540434
Energy: 1.0850240556048358
Energy: 1.1047578483540434
Energy: 1.0850240556048358
Energy: 1.1047578483540434
Energy: 1.0850240556048358
Energy: 1.0598925852580203
Energy: 1.4351986487009398
Energy: 1.0598925852553815
Energy: 1.4351986487009398
Energy: 1.0598925852580203
Energy: 1.4351986486983015

minimum gb energy = 1.0598925852553815 eV
minimum distance =  2.34067808460254 Angstroms
sigma value = 3


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

Energy: 1.6823443756751533
Energy: 1.2684270095501686
Energy: 1.682344375678744
Energy: 1.268427009553759
Energy: 1.682344375678744
Energy: 1.268427009553759
Energy: 1.390141082057064
Energy: 1.237142266894686
Energy: 1.390141082057064
Energy: 1.2371422668982768
Energy: 1.390141082057064
Energy: 1.237142266894686
Energy: 1.2766753168356981
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Energy: 1.3570741907687471
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Energy: 1.3777182431627815
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Energy: 1.5186490624191586
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Energy: 1.3418530088375988
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Energy: 1.3488506375307416
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Energy: 1.3730346905986153
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Energy: 1.1946577007418728
Energy: 1.3785352836852691
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Energy: 1.2624931102565617
Energy: 1.2344979914647811
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Energy: 1.556231827080958
Energy: 1.3604501341473403
Energy: 1.6361701635492232
Energy: 1.3604501341473403
Energy: 1.6361701635492232
Energy: 1.3604501341473403
Energy: 1.6361701635492232
Energy: 1.263815435179151
Energy: 1.4004348880391437
Energy: 1.263815435179151
Energy: 1.4004348880391437
Energy: 1.263815435179151
Energy: 1.4004348880391437
Energy: 1.7115811152512468
Energy: 1.1899941427568919
Energy: 1.7115811152512468
Energy: 1.1899941427568919
Energy: 1.7115811152476563
Energy: 1.1899941427568919
Energy: 1.244360356742514
Energy: 1.6688118118400574
Energy: 1.2443603567389232
Energy: 1.6688118118400574
Energy: 1.244360356742514
Energy: 1.6688118118400574
Energy: 1.5054639090092257
Energy: 1.2356627782705958
Energy: 1.5054639090056348
Energy: 1.2356627782705958
Energy: 1.5054639090092257
Energy: 1.2356627782705958
Energy: 1.6255565430393137
Energy: 1.3186056511853146
Energy: 1.625556543035723
Energy: 1.318605651181724
Energy: 1.625556543035723
Energy: 1.318605651181724
Energy: 1.6341054484036017
Energy: 1.2654575494915654
Energy: 1.6341054484036017
Energy: 1.2654575494915654
Energy: 1.6341054484036017
Energy: 1.2654575494915654
Energy: 1.3284065434257153
Energy: 1.3954128946345934
Energy: 1.3284065434257153
Energy: 1.3954128946345934
Energy: 1.3284065434257153
Energy: 1.3954128946345934
Energy: 1.321881465696578
Energy: 1.244311500287952
Energy: 1.321881465696578
Energy: 1.244311500287952
Energy: 1.3218814657001687
Energy: 1.244311500287952
Energy: 1.2638857025640013
Energy: 1.4297885015204255
Energy: 1.2638857025640013
Energy: 1.4297885015204255
Energy: 1.2638857025640013
Energy: 1.4297885015204255
Energy: 1.4705166797822544
Energy: 1.4016387764118163
Energy: 1.4705166797822544
Energy: 1.401638776415407
Energy: 1.4705166797822544
Energy: 1.4016387764118163
Energy: 1.3611512216219503
Energy: 1.4628183906105243
Energy: 1.3611512216183594
Energy: 1.4628183906105243
Energy: 1.3611512216183594
Energy: 1.4628183906105243

minimum gb energy = 1.1833352694408923 eV
minimum distance =  2.27454228221012 Angstroms
sigma value = 81


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

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Energy: 1.3288224944676243
Energy: 1.3212048419388587
Energy: 1.3288224944676243
Energy: 1.3885091439446586
Energy: 1.3288224944676243
Energy: 1.260770807135175
Energy: 1.427930534207416
Energy: 1.2607708071346824
Energy: 1.4279305342088944
Energy: 1.2607708071346824
Energy: 1.4279305342088944
Energy: 1.6116047061132366
Energy: 1.5549985087346507
Energy: 1.520028307254608
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Energy: 1.611604706114222
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Energy: 1.273871034856206
Energy: 1.455441799074051
Energy: 1.2738710348557132
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Energy: 1.3178379441742314
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Energy: 1.198503113255043
Energy: 1.2438231905041648
Energy: 1.192431426317965
Energy: 1.2438231905056432
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Energy: 1.1712836858772242
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Energy: 1.3192537760621537
Energy: 1.1963871524269578
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Energy: 1.1963871524254792
Energy: 1.3192537760626464
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Energy: 1.3419708125358643
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Energy: 1.3419708125348788
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Energy: 1.34197081253685
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Energy: 1.1959871472530554
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Energy: 1.3209783521957064
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Energy: 1.258202960124488
Energy: 1.2354083198898165
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Energy: 1.3335234838859074
Energy: 1.2630532697130634
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Energy: 1.5246143522271154
Energy: 1.4024460455029149
Energy: 1.5246143522290867
Energy: 1.4024460455029149
Energy: 1.5246143522295794
Energy: 1.1942882404781385
Energy: 1.6157615683523245
Energy: 1.1942882404791242
Energy: 1.6157615683523245
Energy: 1.1942882404791242
Energy: 1.6157615683523245
Energy: 1.2316889069270252
Energy: 1.2740159621282432
Energy: 1.2316889069260395
Energy: 1.2740159621257792
Energy: 1.2316889069260395
Energy: 1.2740159621262719
Energy: 1.3356266772497714
Energy: 1.1921146723204306
Energy: 1.3356266772497714
Energy: 1.1921146723228948
Energy: 1.335626677250264
Energy: 1.192114672322402
Energy: 1.3184444382007607
Energy: 1.2609281964257142
Energy: 1.318488641710143
Energy: 1.260928196426207
Energy: 1.3184444381992824
Energy: 1.2609281964266998
Energy: 1.5559540753904015
Energy: 1.2143538369452942
Energy: 1.5559540753894159
Energy: 1.2143538369452942
Energy: 1.5559540753908943
Energy: 1.2143538369452942
Energy: 1.4556322966256947
Energy: 1.5967274676920362
Energy: 1.4556322966261874
Energy: 1.5967274676910508
Energy: 1.4556322966266804
Energy: 1.5967274676905576
Energy: 1.195068674596344
Energy: 1.3324271949044693
Energy: 1.1950686745943728
Energy: 1.3324271949059476
Energy: 1.1950686745933872
Energy: 1.3324271949059476
Energy: 1.192257233034365
Energy: 1.2444428283572644
Energy: 1.1922572330329315
Energy: 1.2444428283572644
Energy: 1.1922572330299746
Energy: 1.2444428283572644
Energy: 1.1948380849165636
Energy: 1.1698705592012597
Energy: 1.1948380849165636
Energy: 1.1698705592042167
Energy: 1.1948380849165636
Energy: 1.169870559202738
Energy: 1.4304502947338682
Energy: 1.751255236053275
Energy: 1.4304456908347567
Energy: 1.7512552360537679
Energy: 1.4304502947348539
Energy: 1.7512552360542604
Energy: 1.4661027738623849
Energy: 1.4539009571187347
Energy: 1.4661027738643562
Energy: 1.453900957121199
Energy: 1.466102773864849
Energy: 1.453900957120706
Energy: 1.3184386178688734
Energy: 1.1953657655141412
Energy: 1.3184386178698588
Energy: 1.1953657655161125
Energy: 1.3184386178688734
Energy: 1.1953657655141412
Energy: 1.236096197568974
Energy: 1.1924491258700207
Energy: 1.236096197568974
Energy: 1.1924491258714993
Energy: 1.2360961975694669
Energy: 1.1924491258714993

minimum gb energy = 1.1698705592012597 eV
minimum distance =  2.37058690881391 Angstroms
sigma value = 43


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

Energy: 1.5389347468379984
Energy: 1.2915879649133777
Energy: 1.5389347468379984
Energy: 1.2915879649127724
Energy: 1.5389347468379984
Energy: 1.2915879649133777
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Energy: 1.2762939466346739
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Energy: 1.3388825374973237
Energy: 1.3159705321696027
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Energy: 1.269658940107405
Energy: 1.3371017913131793
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Energy: 1.3371017915691246
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Energy: 1.337101790715965
Energy: 1.3751030807528135
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Energy: 1.20269987202383
Energy: 1.533870060757416
Energy: 1.202699872022014
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Energy: 1.3788745028027118
Energy: 1.3203643895992192
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Energy: 1.4726276665536824
Energy: 1.375871946745901
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Energy: 1.375871946745901
Energy: 1.4726276665536824
Energy: 1.375871946745901
Energy: 1.388642977807942
Energy: 1.226191425620605
Energy: 1.3886429778067313
Energy: 1.226191425620605
Energy: 1.3886429778073366
Energy: 1.226191425620605
Energy: 1.5037933862355226
Energy: 1.2962422805198286
Energy: 1.5037933862355226
Energy: 1.2962422805192233
Energy: 1.503793386234917
Energy: 1.2962422805216445
Energy: 1.4569435544628022
Energy: 1.409813074874201
Energy: 1.4569435544628022
Energy: 1.409813074874201
Energy: 1.4569435544634077
Energy: 1.409813074874201
Energy: 1.3886150799794612
Energy: 1.4244616574180498
Energy: 1.3886150799794612
Energy: 1.4244616574174442
Energy: 1.3886150799794612
Energy: 1.4244616574180498
Energy: 1.2964979953547295
Energy: 1.4214295411374385
Energy: 1.2964979953547295
Energy: 1.4214295411374385
Energy: 1.2964979953553348
Energy: 1.4214295411374385
Energy: 1.4636484760962103
Energy: 1.352242551087328
Energy: 1.4636484760968156
Energy: 1.352242551087328
Energy: 1.4636484760962103
Energy: 1.352242551087328
Energy: 1.2032415254235471
Energy: 1.4522755225684838
Energy: 1.2032415254241522
Energy: 1.452275522569089
Energy: 1.2032415254229416
Energy: 1.4522755225684838
Energy: 1.3797337110083978
Energy: 1.4865695201744857
Energy: 1.3797337110083978
Energy: 1.486569520175091
Energy: 1.3797337110083978
Energy: 1.4865695201744857
Energy: 1.2692613705260936
Energy: 1.2721377127115716
Energy: 1.2692613705260936
Energy: 1.2721377127115716
Energy: 1.2692613705254883
Energy: 1.2721377127109663
Energy: 1.5446059854284548
Energy: 1.3688250807378282
Energy: 1.5446059854284548
Energy: 1.3688250807378282
Energy: 1.5446059854296657
Energy: 1.3688250807378282
Energy: 1.3257545682666254
Energy: 1.4305292758800219
Energy: 1.3257545682672307
Energy: 1.4305292758794168
Energy: 1.3257545682672307
Energy: 1.4305292758794168
Energy: 1.4352442635457767
Energy: 1.320474898380785
Energy: 1.4352442635457767
Energy: 1.320474898380785
Energy: 1.4352442635457767
Energy: 1.3204748983801797
Energy: 1.269012205154158
Energy: 1.3729471096157664
Energy: 1.2690122051535524
Energy: 1.3729471096157664
Energy: 1.269012205154158
Energy: 1.3729471096157664
Energy: 1.3579340404096902
Energy: 1.389775663272602
Energy: 1.3579340404078741
Energy: 1.3897756632732072
Energy: 1.3579340404096902
Energy: 1.389775663272602
Energy: 1.4001202812218556
Energy: 1.3127313562722334
Energy: 1.4001202812218556
Energy: 1.3127313562722334
Energy: 1.4001202812218556
Energy: 1.3127313562716283

minimum gb energy = 1.202699872022014 eV
minimum distance =  2.32049093681289 Angstroms
sigma value = 57


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

Energy: 1.462417941144316
Energy: 1.292060200093894
Energy: 1.3789019662241508
Energy: 1.292060200093894
Energy: 1.4624179411419647
Energy: 1.292060200093894
Energy: 1.406735230280735
Energy: 1.235998147580556
Energy: 1.406735230280735
Energy: 1.235998147580556
Energy: 1.4067352302815186
Energy: 1.235998147580556
Energy: 1.4939325258885048
Energy: 1.4566677742226277
Energy: 1.435172274355156
Energy: 1.456667774221844
Energy: 1.4939325258885048
Energy: 1.456667774221844
Energy: 1.6808069125553657
Energy: 1.408322580258071
Energy: 1.6808069125553657
Energy: 1.408322580258071
Energy: 1.6808069125545817
Energy: 1.408322580258071
Energy: 1.704614383426969
Energy: 1.3263620483333636
Energy: 1.7046143834285366
Energy: 1.326362048331796
Energy: 1.7046143834285366
Energy: 1.326362048331796
Energy: 1.4846891100634763
Energy: 1.395559081827986
Energy: 1.4846891100626924
Energy: 1.30314047579037
Energy: 1.4846891100626924
Energy: 1.3955590818264183
Energy: 1.4506742628227407
Energy: 1.4946485717921982
Energy: 1.450674262821173
Energy: 1.4946485717921982
Energy: 1.4506742628188218
Energy: 1.4946485717921982
Energy: 1.379756388636299
Energy: 1.2933795401742822
Energy: 1.3797563886370827
Energy: 1.2933795401734987
Energy: 1.379756388635515
Energy: 1.2933795401734987
Energy: 1.457102519444731
Energy: 1.2387201621995432
Energy: 1.457102519444731
Energy: 1.2387201621979758
Energy: 1.457102519444731
Energy: 1.2387201621979758
Energy: 1.2280818051956621
Energy: 1.3007850478214493
Energy: 1.228082424587388
Energy: 1.3007850478214493
Energy: 1.2280818051956621
Energy: 1.3007850478214493
Energy: 1.3547461977997002
Energy: 1.409659910593077
Energy: 1.3547461978004838
Energy: 1.4096599105922931
Energy: 1.3547461978012678
Energy: 1.409659910593077
Energy: 1.5902469726196178
Energy: 1.515751804424557
Energy: 1.5902469726180501
Energy: 1.515751804423025
Energy: 1.5902469726172663
Energy: 1.515751804423025
Energy: 1.4077776650256923
Energy: 1.23865738194508
Energy: 1.4077776650249083
Energy: 1.238657381944296
Energy: 1.4077776650249083
Energy: 1.238657381944296
Energy: 1.4475314774503847
Energy: 1.2446686139838203
Energy: 1.4598340948418418
Energy: 1.2446686139830365
Energy: 1.4475314774503847
Energy: 1.2446686139838203
Energy: 1.4496505033875633
Energy: 1.4008258600669892
Energy: 1.3428946951852097
Energy: 1.4008258600669892
Energy: 1.4496505033859954
Energy: 1.4008258600669892
Energy: 1.4278975571093302
Energy: 1.3485513873682478
Energy: 1.4278975571077626
Energy: 1.3485513873690316
Energy: 1.4278975571085464
Energy: 1.3485513873690316
Energy: 1.2276284865625626
Energy: 1.3019485952451877
Energy: 1.2276880795950271
Energy: 1.3019485952436203
Energy: 1.2276284865617793
Energy: 1.3019485952436203
Energy: 1.352011810420382
Energy: 1.42727995999178
Energy: 1.3520118104195982
Energy: 1.259472579418883
Energy: 1.3520118104188144
Energy: 1.42727995999178
Energy: 1.227587253355931
Energy: 1.3020043078549377
Energy: 1.2275872533543637
Energy: 1.3020043078557213
Energy: 1.2275872533551475
Energy: 1.3020043078557213
Energy: 1.4935626764207648
Energy: 1.3484388406331462
Energy: 1.4935626764207648
Energy: 1.3484388406331462
Energy: 1.4935626764207648
Energy: 1.3484388406331462
Energy: 1.3424723166984929
Energy: 1.2420084843650891
Energy: 1.3424723166977088
Energy: 1.2420084843666568
Energy: 1.3424723166977088
Energy: 1.2420084843666568
Energy: 1.4596075429334396
Energy: 1.3583547219869323
Energy: 1.459607542935007
Energy: 1.3583547219877157
Energy: 1.4596075429334396
Energy: 1.3583547219884995
Energy: 1.4919261631081933
Energy: 1.235384448135845
Energy: 1.4922458280606414
Energy: 1.2353844481366285
Energy: 1.4919261631097607
Energy: 1.2353844481366285
Energy: 1.570362247109219
Energy: 1.4656234127185024
Energy: 1.5704096730691697
Energy: 1.4656234127185024
Energy: 1.570362247108435
Energy: 1.4656234127185024

minimum gb energy = 1.2275872533543637 eV
minimum distance =  2.27138816051471 Angstroms
sigma value = 17


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

Energy: 1.6471131075452503
Energy: 1.1809197027569538
Energy: 1.6471131075452503
Energy: 1.1809197027569538
Energy: 1.6471131075452503
Energy: 1.1809197027569538
Energy: 1.3207298680688193
Energy: 1.274694733024063
Energy: 1.3207298680688193
Energy: 1.2746947330229546
Energy: 1.3207298680677113
Energy: 1.2746947330229546
Energy: 1.277062652844378
Energy: 1.3212470566238999
Energy: 1.2770626528454865
Energy: 1.3212470566227914
Energy: 1.2770626528454865
Energy: 1.3212470566227914
Energy: 1.3164794222361953
Energy: 1.2838433034300176
Energy: 1.3164794222361953
Energy: 1.2838433034311263
Energy: 1.3164794222361953
Energy: 1.2838433034300176
Energy: 1.2984499429315426
Energy: 1.4715566933306126
Energy: 1.2984499429315426
Energy: 1.4715566933306126
Energy: 1.2984499429315426
Energy: 1.4715566933306126
Energy: 1.207985626035705
Energy: 1.2825334347209312
Energy: 1.2079856260345967
Energy: 1.2825334347209312
Energy: 1.207985626035705
Energy: 1.2825334347220396
Energy: 1.2774128466447237
Energy: 1.3301903831231479
Energy: 1.2774128466436152
Energy: 1.3301903831220394
Energy: 1.2774128466447237
Energy: 1.3301903831231479
Energy: 1.3165202626961785
Energy: 1.3047002248987198
Energy: 1.3165202626972872
Energy: 1.3047002248998283
Energy: 1.3165202626961785
Energy: 1.3047002248987198
Energy: 1.2447799729782723
Energy: 1.1255156596046738
Energy: 1.2447799729771638
Energy: 1.1255156596035651
Energy: 1.2447799729771638
Energy: 1.1255156596035651
Energy: 1.1824419923844152
Energy: 1.258278715598346
Energy: 1.1824419923844152
Energy: 1.2582787155972879
Energy: 1.1824419923821985
Energy: 1.258278715598346
Energy: 1.2018161376078054
Energy: 1.293426828346266
Energy: 1.2018161376078054
Energy: 1.293426828346266
Energy: 1.2018161376078054
Energy: 1.293426828346266
Energy: 1.262336697949961
Energy: 1.255741999942637
Energy: 1.2623366979510695
Energy: 1.2557419999415287
Energy: 1.262336697949961
Energy: 1.255741999942637
Energy: 1.0693492988592819
Energy: 1.282590132465416
Energy: 1.0693492988581732
Energy: 1.282590132465416
Energy: 1.0693492988592819
Energy: 1.2825901324643076
Energy: 1.202425321497725
Energy: 1.2827732696166663
Energy: 1.202425321497725
Energy: 1.2827732696166663
Energy: 1.202425321497725
Energy: 1.282773269617775
Energy: 1.207650453491411
Energy: 1.4526779605042595
Energy: 1.207650453491411
Energy: 1.4526779605042595
Energy: 1.2076504534903025
Energy: 1.4526779605042595
Energy: 1.2069838018574406
Energy: 1.4975823712333918
Energy: 1.2069838018563321
Energy: 1.4975823712333918
Energy: 1.2069838018563321
Energy: 1.4975823712333918
Energy: 1.1996266238889715
Energy: 1.2826696527291193
Energy: 1.1996266238900801
Energy: 1.2826696527291193
Energy: 1.1996266238889715
Energy: 1.2826696527291193

minimum gb energy = 1.0693492988581732 eV
minimum distance =  2.3153742889123 Angstroms
sigma value = 17


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

Energy: 1.1959301603780212
Energy: 1.0689921122475687
Energy: 1.1959301603793053
Energy: 1.0689921122475687
Energy: 1.1959301603784493
Energy: 1.0689921122475687
Energy: 1.2784418829921376
Energy: 1.1932888959660766
Energy: 1.2784418829917095
Energy: 1.086764618491237
Energy: 1.2784418829912816
Energy: 1.1932888959635082
Energy: 1.1862991243149592
Energy: 1.2130301560193497
Energy: 1.186299124314531
Energy: 1.213030156019778
Energy: 1.186299124314531
Energy: 1.2130301560193497
Energy: 1.1138296571185966
Energy: 1.1831987494725396
Energy: 1.1138296571203088
Energy: 1.1831987494725396
Energy: 1.1138296571190245
Energy: 1.1831987494721115
Energy: 1.4890972301695153
Energy: 1.1968050889663489
Energy: 1.4890972301785041
Energy: 1.1968050889672048
Energy: 1.489097230168231
Energy: 1.1968050889663489
Energy: 1.1431797410806788
Energy: 1.1204622095097727
Energy: 1.1431797410802507
Energy: 1.0834701518148724
Energy: 1.1431797410806788
Energy: 1.1204622095119128
Energy: 1.0806760690483002
Energy: 1.0855038482423258
Energy: 1.0806760690495842
Energy: 1.085503848242754
Energy: 1.0806760690478723
Energy: 1.08550384824361
Energy: 1.379208992395486
Energy: 1.347661630137679
Energy: 1.379208992396342
Energy: 1.347661630137679
Energy: 1.379208992395058
Energy: 1.3476616301372506
Energy: 1.1217320801244437
Energy: 1.1347842292419972
Energy: 1.1217320801244437
Energy: 1.1347842292419972
Energy: 1.1217320801248716
Energy: 1.1347842292424253
Energy: 1.0821806210860527
Energy: 0.9831982595359077
Energy: 1.0821806210860527
Energy: 0.9831982595359077
Energy: 1.0821806210873366
Energy: 0.9831982595359077
Energy: 1.0012205031701877
Energy: 1.318792153317477
Energy: 1.0012205031766082
Energy: 1.318792153317905
Energy: 1.0012205031761803
Energy: 1.318792153317477
Energy: 1.180969706766736
Energy: 1.2665566561343915
Energy: 1.180969706765452
Energy: 1.2665566561339634
Energy: 1.180969706765452
Energy: 1.2665566561343915
Energy: 1.265982903331455
Energy: 1.240421158033136
Energy: 1.265982903331883
Energy: 1.240421158032708
Energy: 1.265982903331455
Energy: 1.240421158032708
Energy: 1.2662201300715525
Energy: 1.1967408234895611
Energy: 1.2662201300728366
Energy: 1.1967408234895611
Energy: 1.2662201300728366
Energy: 1.1967408234895611
Energy: 1.165283361976695
Energy: 1.1658761095313925
Energy: 1.1652833619771228
Energy: 1.1658761095275403
Energy: 1.165283361977551
Energy: 1.1658761095283965
Energy: 1.2087842314415658
Energy: 1.252984477222647
Energy: 1.2087842314419937
Energy: 1.252984477222647
Energy: 1.2087842314419937
Energy: 1.252984477222647
Energy: 1.1009591606526148
Energy: 1.1300692593624713
Energy: 1.1009591606526148
Energy: 1.1300692593624713
Energy: 1.100959160652187
Energy: 1.1300692593624713
Energy: 1.1438290668218856
Energy: 1.371621693245292
Energy: 1.1438290668218856
Energy: 1.371621693245292
Energy: 1.1438290668223134
Energy: 1.371621693245292
Energy: 1.1066999809568823
Energy: 1.4911159696165726
Energy: 1.1066999809573101
Energy: 1.4911159696161442
Energy: 1.1066999809573101
Energy: 1.4911159696170004
Energy: 1.1000811694068304
Energy: 0.9842266312690552
Energy: 1.1000811694072583
Energy: 0.9842266312686272
Energy: 1.1000811694059742
Energy: 0.9842266312681993
Energy: 1.1068149167274441
Energy: 1.4910624460182271
Energy: 1.106814916727016
Energy: 1.4910624460182271
Energy: 1.10681491672616
Energy: 1.4910624460182271
Energy: 1.1440035306095842
Energy: 1.371638458839535
Energy: 1.1440035306112963
Energy: 1.371638458839963
Energy: 1.1440035306100123
Energy: 1.371638458839963
Energy: 1.1009655980270465
Energy: 1.130055661067341
Energy: 1.1009655980283306
Energy: 1.130055661067341
Energy: 1.1009655980274748
Energy: 1.130055661067341
Energy: 1.2087742543925102
Energy: 1.2062795501753212
Energy: 1.2087742543916542
Energy: 1.206279550174465
Energy: 1.2087742543925102
Energy: 1.206279550176177
Energy: 1.1652536386635564
Energy: 1.1737349772547376
Energy: 1.1652536386644123
Energy: 1.1737349772543095
Energy: 1.165253638663128
Energy: 1.1737349772543095
Energy: 1.2662384432502747
Energy: 1.2020375009090247
Energy: 1.2662384432498466
Energy: 1.2020375009090247
Energy: 1.2662384432507028
Energy: 1.2020375009085966
Energy: 1.2674180948217388
Energy: 1.2402553247242956
Energy: 1.267418094821311
Energy: 1.2402553247247237
Energy: 1.267418094821311
Energy: 1.2402553247242956
Energy: 1.1903180171121115
Energy: 1.2666811556441084
Energy: 1.1903180171116836
Energy: 1.2666811556744986
Energy: 1.1903180171116836
Energy: 1.266681155666366
Energy: 1.0012263369139662
Energy: 1.3189579008051522
Energy: 1.0012263369152503
Energy: 1.31895790080558
Energy: 1.0012263369139662
Energy: 1.3189579008051522
Energy: 1.0817895058820888
Energy: 0.9833093247100849
Energy: 1.0817895058820888
Energy: 0.9833093247105129
Energy: 1.0817895058803768
Energy: 0.9833093247105129
Energy: 1.1222439753856484
Energy: 1.1354432835631543
Energy: 1.1222439753847924
Energy: 1.1354432835627264
Energy: 1.1222439753860762
Energy: 1.1354432835622983
Energy: 1.3793125196077687
Energy: 1.3476178276518065
Energy: 1.3793125196090528
Energy: 1.3476178276522346
Energy: 1.3793125196077687
Energy: 1.3476178276522346
Energy: 1.0804268997495903
Energy: 1.0852920364749281
Energy: 1.0804268997491626
Energy: 1.0852920364762124
Energy: 1.0804268997495903
Energy: 1.085292036475784
Energy: 1.1432060915046636
Energy: 1.0478187747759151
Energy: 1.1432060915046636
Energy: 1.0478187747759151
Energy: 1.1432060915055196
Energy: 1.0478187747759151
Energy: 1.4893105539346234
Energy: 1.1968309348324608
Energy: 1.4893105539350515
Energy: 1.1968309348316046
Energy: 1.4893105539350515
Energy: 1.1968309348320327
Energy: 1.1140175408060058
Energy: 1.1489588634689427
Energy: 1.1140175408064337
Energy: 1.148958863470655
Energy: 1.1140175408055775
Energy: 1.1489588634689427
Energy: 1.1864395689065763
Energy: 1.2131250382865162
Energy: 1.1864395689061482
Energy: 1.2131250382873724
Energy: 1.1864395689065763
Energy: 1.2131250382878003
Energy: 1.278647681581927
Energy: 1.0478023810249428
Energy: 1.278647681582783
Energy: 1.0478023810236976
Energy: 1.278647681582783
Energy: 1.0478023810249428
Energy: 1.1959301603793053
Energy: 1.0689921122475687
Energy: 1.1959301603793053
Energy: 1.0689921122479966
Energy: 1.1959301603793053
Energy: 1.0689921122479966
Energy: 1.2784418829904252
Energy: 1.250199940732657
Energy: 1.2784418829912816
Energy: 1.250199940732657
Energy: 1.2784418829912816
Energy: 1.250199940732657
Energy: 1.186299124315387
Energy: 1.213030156019778
Energy: 1.186299124314531
Energy: 1.2130301560193497
Energy: 1.1862991243149592
Energy: 1.213030156019778
Energy: 1.1138296571211648
Energy: 1.1299339338289769
Energy: 1.113829657123733
Energy: 1.1299339338289769
Energy: 1.1138296571233048
Energy: 1.129933933828549
Energy: 1.4890972301780758
Energy: 1.1968050889646367
Energy: 1.4890972301785041
Energy: 1.1968050889654929
Energy: 1.4890972301780758
Energy: 1.1968050889646367

minimum gb energy = 0.9831982595359077 eV
minimum distance =  2.27574153637123 Angstroms
sigma value = 57


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

Energy: 1.0984396961877916
Energy: 0.988523894834246
Energy: 1.0984396961857006
Energy: 0.988523894834246
Energy: 1.0984396961870946
Energy: 0.9885238948356397
Energy: 1.1345665628796602
Energy: 1.1310492360468016
Energy: 1.1345665628803572
Energy: 1.1310492360481956
Energy: 1.1345665628796602
Energy: 1.1310492360481956
Energy: 1.1443349145038035
Energy: 1.1309499473689788
Energy: 1.1443349145017125
Energy: 1.1309499473689788
Energy: 1.1443349145010158
Energy: 1.1309499473689788
Energy: 1.142580294438259
Energy: 1.074310770494405
Energy: 1.142580294438259
Energy: 1.074310770494405
Energy: 1.142580294438259
Energy: 1.074310770495799
Energy: 1.3295921766550138
Energy: 1.1011805999804034
Energy: 1.3295921766557108
Energy: 1.1011805999804034
Energy: 1.3295921766550138
Energy: 1.1011805999817972
Energy: 1.0718401343971342
Energy: 0.974547923000143
Energy: 1.071840134397831
Energy: 0.974547923000143
Energy: 1.071840134397831
Energy: 0.9745479229987491
Energy: 1.2720748464492797
Energy: 1.0437633954425467
Energy: 1.272074846448583
Energy: 1.0437633954425467
Energy: 1.2720748464492797
Energy: 1.0437633954432437
Energy: 1.2572463209224036
Energy: 1.260939186449877
Energy: 1.2572463209237974
Energy: 1.260939186449877
Energy: 1.2572463209231006
Energy: 1.2609391864491797
Energy: 0.9912092359730568
Energy: 0.9763581779552462
Energy: 0.9912092359744508
Energy: 0.9763581779552462
Energy: 0.9912092359716629
Energy: 0.9763581779552462
Energy: 1.122523100076908
Energy: 1.0069815583445636
Energy: 1.122523100076908
Energy: 1.0069815583452604
Energy: 1.122523100076211
Energy: 1.0069815583452604
Energy: 1.275067311259314
Energy: 1.2729819526055994
Energy: 1.2750673112579203
Energy: 1.2729819526055994
Energy: 1.2750673112579203
Energy: 1.2729819526055994
Energy: 1.0295290936575465
Energy: 1.2671404286600918
Energy: 1.0295290936575465
Energy: 1.2671404286593948
Energy: 1.0295290936575465
Energy: 1.2671404286600918
Energy: 1.122389873716709
Energy: 1.1377706918876178
Energy: 1.1223898737188
Energy: 1.137770691886921
Energy: 1.1223898737174063
Energy: 1.1377706918876178
Energy: 1.2676189728179321
Energy: 1.1490508600322624
Energy: 1.2676189728179321
Energy: 1.1490508600322624
Energy: 1.2676189728179321
Energy: 1.1490508600322624
Energy: 1.100201052695593
Energy: 1.1825344740929529
Energy: 1.100201052695593
Energy: 1.1825344740936499
Energy: 1.100201052695593
Energy: 1.1825344740936499
Energy: 1.1571502809290326
Energy: 1.1501568518030523
Energy: 1.1571502809276386
Energy: 1.1501568518037495
Energy: 1.1571502809276386
Energy: 1.1501568518037495
Energy: 1.1747381676272088
Energy: 1.128205977877856
Energy: 1.1747381676279056
Energy: 1.128205977877856
Energy: 1.1747381676265118
Energy: 1.128205977877856
Energy: 1.1892307836401714
Energy: 1.1853743983648803
Energy: 1.1892307836394747
Energy: 1.1853743983662741
Energy: 1.1892307836401714
Energy: 1.1853743983655771
Energy: 1.1279088635412342
Energy: 1.1765165215331819
Energy: 1.1279088635398404
Energy: 1.1765165215338789
Energy: 1.1279088635405372
Energy: 1.1765165215331819
Energy: 1.1297218432678457
Energy: 1.075613946546951
Energy: 1.1297218432685427
Energy: 1.075613946546951
Energy: 1.1297218432685427
Energy: 1.075613946546951
Energy: 1.079766641221524
Energy: 1.2674084502853427
Energy: 1.0797666412236149
Energy: 1.2674084502853427
Energy: 1.0797666412250086
Energy: 1.2674084502839489
Energy: 0.9284607042819143
Energy: 1.364716974270962
Energy: 0.9284607042812172
Energy: 1.364716974271659
Energy: 0.9284607042791265
Energy: 1.364716974271659
Energy: 1.0173607954626667
Energy: 1.0288205387979807
Energy: 1.0173607954612727
Energy: 1.0288205387979807
Energy: 1.0173607954612727
Energy: 1.0288205387979807
Energy: 1.017004777190308
Energy: 1.3842361921225237
Energy: 1.0170047771910047
Energy: 1.384236192123221
Energy: 1.017004777190308
Energy: 1.3842361921225237
Energy: 1.2118706445934957
Energy: 1.2744976204273404
Energy: 1.2118706445948897
Energy: 1.2744976204273404
Energy: 1.211870644592799
Energy: 1.2744976204273404
Energy: 0.9905900830863376
Energy: 1.028121684118241
Energy: 0.9905900830842468
Energy: 1.028121684116847
Energy: 0.9905900830856407
Energy: 1.028121684116847
Energy: 0.9281208235259355
Energy: 1.176426757615861
Energy: 0.9281208235273294
Energy: 1.1764267576165577
Energy: 0.9281208235266324
Energy: 1.1764267576165577

minimum gb energy = 0.9281208235259355 eV
minimum distance =  2.2841456767931 Angstroms
sigma value = 43


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

Energy: 1.206814196122341
Energy: 0.8942641847568482
Energy: 1.2068141961218333
Energy: 0.8942641847573559
Energy: 1.206814196122341
Energy: 0.8942641847568482
Energy: 0.9806727963943123
Energy: 1.0266989992824724
Energy: 0.9806727963943123
Energy: 1.0266989992824724
Energy: 0.9806727963948201
Energy: 1.0266989992819648
Energy: 0.9672183683413742
Energy: 1.0267402098315435
Energy: 0.9672183683408662
Energy: 1.0267402098315435
Energy: 0.9672183683408662
Energy: 1.0267402098315435
Energy: 1.1486542541024343
Energy: 0.941528377302673
Energy: 1.1486542541024343
Energy: 0.9415283773036887
Energy: 1.1486542541019265
Energy: 0.941528377302673
Energy: 1.1234327414523213
Energy: 0.981910823025924
Energy: 1.1234327414528293
Energy: 0.981910823025924
Energy: 1.1234327414518137
Energy: 0.9819108230254163
Energy: 0.9304726038527591
Energy: 0.9792780056023039
Energy: 0.9304726038532668
Energy: 0.9792780056028119
Energy: 0.9304726038537746
Energy: 0.9792780056028119
Energy: 1.1111555376626232
Energy: 1.0219144700619978
Energy: 1.1111555376636388
Energy: 1.0219144700619978
Energy: 1.1111555376636388
Energy: 1.0219144700625054
Energy: 1.1686541437801907
Energy: 1.0755036338120747
Energy: 1.1686541437796831
Energy: 1.0755036338120747
Energy: 1.1686541437806985
Energy: 1.0755036338120747
Energy: 0.88060555690279
Energy: 0.9685257293616222
Energy: 0.88060555690279
Energy: 0.9685257293621301
Energy: 0.8806055569038056
Energy: 0.9685257293616222
Energy: 0.9864110057113044
Energy: 0.8673567297530744
Energy: 0.9864110057118122
Energy: 0.8673567297520589
Energy: 0.9864110057113044
Energy: 0.8673567297520589
Energy: 1.1007931034964227
Energy: 1.0670589059498814
Energy: 1.1007931034964227
Energy: 1.0670589059493736
Energy: 1.1007931034969305
Energy: 1.0670589059493736
Energy: 0.8426812251592172
Energy: 0.967037118132101
Energy: 0.8426812251607405
Energy: 0.9670371181331164
Energy: 0.8426812251592172
Energy: 0.9670371181326087
Energy: 0.9859955240882334
Energy: 0.8317822220066726
Energy: 0.9859955240892488
Energy: 0.8317822220066726
Energy: 0.9859955240887411
Energy: 0.8317822220066726
Energy: 1.0715384071269023
Energy: 1.068989799358056
Energy: 1.0715384071269023
Energy: 1.0689897993575481
Energy: 1.07153840712741
Energy: 1.068989799358056
Energy: 0.8626901258359986
Energy: 0.966906217269546
Energy: 0.8626901258349832
Energy: 0.966906217269546
Energy: 0.8626901258349832
Energy: 0.966906217269546
Energy: 1.0085871349661275
Energy: 0.9202933411611817
Energy: 1.0085871349651119
Energy: 0.9202933411611817
Energy: 1.008587134966635
Energy: 0.9202933411611817
Energy: 1.1075138381124132
Energy: 1.1193180240634717
Energy: 1.1075138381119054
Energy: 1.1193180240639797
Energy: 1.1075138381119054
Energy: 1.1193180240634717
Energy: 0.893756926365428
Energy: 1.0963824913466107
Energy: 0.8937569263644125
Energy: 1.0963824913476263
Energy: 0.8937569263649203
Energy: 1.0963824913476263
Energy: 0.9775530837969258
Energy: 0.9656256301363911
Energy: 0.9775530837978953
Energy: 0.9656256301363911
Energy: 0.9775530837969258
Energy: 0.9656256301358831
Energy: 1.1398703002391926
Energy: 1.1107184809920645
Energy: 1.1398703002391926
Energy: 1.110718480992572
Energy: 1.1398703002391926
Energy: 1.110718480992572
Energy: 0.9594485451562993
Energy: 1.159037927334735
Energy: 0.9594485451562993
Energy: 1.1590379273362583
Energy: 0.9594485451557915
Energy: 1.1590379273352427
Energy: 1.0377065446624014
Energy: 1.016647791010836
Energy: 1.0377065446624014
Energy: 1.016647791010836
Energy: 1.0377065446629092
Energy: 1.0166477910113438
Energy: 1.166862224777308
Energy: 0.9738221784661097
Energy: 1.166862224777308
Energy: 0.9738221784671254
Energy: 1.166862224777308
Energy: 0.9738221784666176
Energy: 1.0236500784521945
Energy: 1.1595229385232524
Energy: 1.0236500784527023
Energy: 1.1595229385232524
Energy: 1.0236500784521945
Energy: 1.1595229385232524
Energy: 0.980991861492815
Energy: 1.0252802058852002
Energy: 0.9809918614933227
Energy: 1.0252802058857082
Energy: 0.980991861492815
Energy: 1.0252802058862158
Energy: 0.9807375488868179
Energy: 0.9429925155578714
Energy: 0.9807375488868179
Energy: 0.9429925155578714
Energy: 0.9807375488863102
Energy: 0.9429925155578714
Energy: 0.9447328186750248
Energy: 1.1099257231059916
Energy: 0.9282610021982788
Energy: 1.1099257231064994
Energy: 0.9282610021982788
Energy: 1.1099257231059916
Energy: 0.9489148253300391
Energy: 0.951227724755374
Energy: 0.9489148253295313
Energy: 0.9512277247548662
Energy: 0.9489148253300391
Energy: 0.951227724755374
Energy: 0.8599324398098916
Energy: 0.8844157250954277
Energy: 0.8599324398088762
Energy: 0.8844157250954277
Energy: 0.8599324398083684
Energy: 0.8844157250954277
Energy: 0.8627198664430612
Energy: 1.0820068863760333
Energy: 0.8627198664430612
Energy: 1.0820068863760333
Energy: 0.8627198664430612
Energy: 1.0820068863755254
Energy: 0.9373919589642332
Energy: 1.1674151941475837
Energy: 0.937391958964741
Energy: 1.1674151941475837
Energy: 0.9373919589642332
Energy: 1.1674151941470758
Energy: 0.9598324872743023
Energy: 0.8570821886941394
Energy: 0.9598324872743023
Energy: 0.8570821886946471
Energy: 0.9598324872743023
Energy: 0.8570821886946471
Energy: 0.8391903284919868
Energy: 1.1982276673985714
Energy: 0.8391903284924945
Energy: 1.1982276673985714
Energy: 0.8391903284930025
Energy: 1.1982276673985714
Energy: 1.0786197681302547
Energy: 1.068783498136398
Energy: 1.0786197681302547
Energy: 1.068783498136398
Energy: 1.0786197681302547
Energy: 1.068783498136398
Energy: 0.9587405950607826
Energy: 0.951763121585774
Energy: 0.9587405950602749
Energy: 0.951763121586282
Energy: 0.9587405950602749
Energy: 0.951763121585774
Energy: 0.7756118213880271
Energy: 0.9562034423827562
Energy: 0.7756118213885348
Energy: 0.956203442383264
Energy: 0.7756118213890426
Energy: 0.9562034423827562

minimum gb energy = 0.7756118213880271 eV
minimum distance =  2.28603603482123 Angstroms
sigma value = 81


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

Energy: 0.34513606383988454
Energy: 0.4014134152398253
Energy: 0.0815569919815347
Energy: 0.4014134152398253
Energy: 0.34513606383988454
Energy: 0.4014134152398253
Energy: 0.9581537014539433
Energy: 0.08318340530215611
Energy: 0.9581537014539433
Energy: 0.08318340518279013
Energy: 0.9581537014539433
Energy: 0.08318340519958194
Energy: 0.894543724807437
Energy: 0.08219815751053726
Energy: 0.894543724807437
Energy: 0.08219815751053726
Energy: 0.894543724807437
Energy: 0.0821981575086715
Energy: 0.0815569919815347
Energy: 0.4014134152398253
Energy: 0.0815569919815347
Energy: 0.4014134152398253
Energy: 0.0815569919815347
Energy: 0.40141341523795954
Energy: 0.9581537014539433
Energy: 0.08318340435104456
Energy: 0.9581537014539433
Energy: 0.08318340411231259
Energy: 0.9581537014539433
Energy: 0.08318340414216469
Energy: 0.894543724807437
Energy: 0.08219815751053726
Energy: 0.894543724807437
Energy: 0.08219815751053726
Energy: 0.894543724807437
Energy: 0.08219815751053726
Energy: 0.34513606383988454
Energy: 0.40141341523795954
Energy: 0.0815569919815347
Energy: 0.40141341523795954
Energy: 0.34513606383988454
Energy: 0.40141341523795954
Energy: 0.9581537014539433
Energy: 0.08318340362183076
Energy: 0.9581537014539433
Energy: 0.08318340364795135
Energy: 0.9581537014539433
Energy: 0.08318340361441014
Energy: 0.894543724807437
Energy: 0.0821981575086715
Energy: 0.894543724807437
Energy: 0.0821981575086715
Energy: 0.894543724807437
Energy: 0.0821981575086715
Energy: 0.0815569919815347
Energy: 0.40141341523795954
Energy: 0.0815569919815347
Energy: 0.4014134152398253
Energy: 0.0815569919815347
Energy: 0.40141341523795954

minimum gb energy = 0.0815569919815347 eV
minimum distance =  2.45873645978879 Angstroms
sigma value = 3


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

Energy: 1.066430305498955
Energy: 0.8845350603085373
Energy: 1.066430305498955
Energy: 0.8845350603085373
Energy: 1.0664303054995132
Energy: 0.8845350603085373
Energy: 0.8868789453208688
Energy: 1.0229935260410832
Energy: 0.8868789453208688
Energy: 1.0229935260410832
Energy: 0.8868789453203104
Energy: 1.0229935260410832
Energy: 0.975151412263556
Energy: 0.995024535969296
Energy: 0.9751514122624394
Energy: 0.995024535969296
Energy: 0.975151412263556
Energy: 0.995024535969296
Energy: 0.9983648391799028
Energy: 0.9360873898092277
Energy: 0.9983648391793444
Energy: 0.9360873898092277
Energy: 0.9983648391799028
Energy: 0.9360873898097862
Energy: 0.7760994450429217
Energy: 1.0051497942816734
Energy: 0.7760994450423634
Energy: 1.0051497942816734
Energy: 0.7760994450429217
Energy: 1.0051497942816734
Energy: 0.9249882824010157
Energy: 0.9693831017735499
Energy: 0.9249882824015739
Energy: 0.9693831017729917
Energy: 0.9249882824021325
Energy: 0.9693831017729917
Energy: 0.9545312032209549
Energy: 0.9927707340113328
Energy: 0.9545312032215132
Energy: 0.9927707340113328
Energy: 0.9545312032215132
Energy: 0.9927707340118909
Energy: 0.7695804154728674
Energy: 0.9096898597850575
Energy: 0.7695804154723089
Energy: 0.9096898597817074
Energy: 0.7695804154717506
Energy: 0.9096898597811491
Energy: 0.9534455959430113
Energy: 0.9669952583541988
Energy: 0.9534455959430113
Energy: 0.9669952583536404
Energy: 0.9534455959435698
Energy: 0.9669952583541988
Energy: 0.9709956054792884
Energy: 0.9444924519935419
Energy: 0.9709956054798468
Energy: 0.9444924519929837
Energy: 0.9709956054792884
Energy: 0.9444924519935419
Energy: 0.843734015846456
Energy: 0.9064837361606042
Energy: 0.8437340158458977
Energy: 0.906483736161721
Energy: 0.8437340158458977
Energy: 0.9064837361600461
Energy: 0.9805900862283758
Energy: 0.9762435462277478
Energy: 0.9805900862283758
Energy: 0.976243546228306
Energy: 0.9805900862283758
Energy: 0.976243546228306
Energy: 0.9614234449419718
Energy: 0.7728442151535032
Energy: 0.9614234449419718
Energy: 0.7728442151535032
Energy: 0.9614234449414135
Energy: 0.7728442151535032
Energy: 0.8768005761407954
Energy: 0.9560581145783866
Energy: 0.8768005761407954
Energy: 0.9560581145783866
Energy: 0.8768005761419122
Energy: 0.9560581145789451
Energy: 0.9590917450240914
Energy: 0.9439090169460619
Energy: 0.9590917450235332
Energy: 0.9439090169460619
Energy: 0.9590917450240914
Energy: 0.9439090169460619
Energy: 0.9750298005630453
Energy: 0.7736166416996193
Energy: 0.9750298005630453
Energy: 0.7736166416996193
Energy: 0.975029800562487
Energy: 0.7736166416996193
Energy: 0.9739709978162675
Energy: 0.9859557422160233
Energy: 0.9739709978157091
Energy: 0.9859557422160233
Energy: 0.9739709978157091
Energy: 0.985955742215465
Energy: 0.9870940771271822
Energy: 0.9167241835533586
Energy: 0.9870940771277406
Energy: 0.916724183552242
Energy: 0.9870940771277406
Energy: 0.9167241835533586
Energy: 0.9870953700121907
Energy: 0.8747066374228382
Energy: 0.9870953700121907
Energy: 0.8747066374228382
Energy: 0.9870953700121907
Energy: 0.8747066374211631
Energy: 0.9035346953573699
Energy: 1.0439245752553812
Energy: 0.9035346953573699
Energy: 1.0439245752553812
Energy: 0.9035346953573699
Energy: 1.0439245752553812
Energy: 0.9778972515395714
Energy: 0.894184503727506
Energy: 0.9778972515412464
Energy: 0.8941845037286228
Energy: 0.9778972515401296
Energy: 0.8941845037280644
Energy: 1.0410414356084727
Energy: 0.8893506226486356
Energy: 1.041041435609031
Energy: 0.8893506226486356
Energy: 1.0410414356084727
Energy: 0.8893506226486356
Energy: 0.9560153282863165
Energy: 1.0415375197818733
Energy: 0.9560153282863165
Energy: 1.0415375197813148
Energy: 0.9560153282863165
Energy: 1.0415375197813148
Energy: 1.044235554895954
Energy: 0.8722679063785135
Energy: 1.0442355548965125
Energy: 0.8722679063785135
Energy: 1.044235554895954
Energy: 0.8722679063785135
Energy: 0.9859453605236934
Energy: 0.9247079171059854
Energy: 0.9859453605236934
Energy: 0.9247079171048688
Energy: 0.9859453605242517
Energy: 0.9247079171054271
Energy: 0.8934611099371822
Energy: 0.9671059548577949
Energy: 0.893461109936624
Energy: 0.9671059548577949
Energy: 0.8934611099371822
Energy: 0.9671059548572367
Energy: 1.0382813073139547
Energy: 0.819686579053258
Energy: 1.0382813073139547
Energy: 0.8196865790543746
Energy: 1.0382813073139547
Energy: 0.819686579053258
Energy: 0.9413127890890112
Energy: 0.9556374586208426
Energy: 0.9413127890890112
Energy: 0.9556374586208426
Energy: 0.9413127890895694
Energy: 0.9556374586208426
Energy: 0.8345652907313836
Energy: 1.0054250880599975
Energy: 0.8345652907308252
Energy: 1.0054250880594393
Energy: 0.8345652907313836
Energy: 1.0054250880594393
Energy: 1.0586267178702196
Energy: 0.8808112275315257
Energy: 1.0586267178702196
Energy: 0.8808112275332008
Energy: 1.0586267178696611
Energy: 0.8808112275320841
Energy: 0.9474711683795382
Energy: 0.9529753188789502
Energy: 0.94747116837898
Energy: 0.9529753188789502
Energy: 0.9474711683795382
Energy: 0.9529753188789502
Energy: 0.8105719698026356
Energy: 0.9496616940591012
Energy: 0.8105719698026356
Energy: 0.9496616940596595
Energy: 0.8105719698020772
Energy: 0.9496616940591012
Energy: 0.9441673083797806
Energy: 0.9883896606560798
Energy: 0.9441673083803389
Energy: 0.9883896606566382
Energy: 0.9441673083797806
Energy: 0.9883896606560798

minimum gb energy = 0.7695804154717506 eV
minimum distance =  2.34520065432952 Angstroms
sigma value = 67


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

Energy: 1.223778374775948
Energy: 1.1079165896390606
Energy: 1.223778374775153
Energy: 1.1079165896390606
Energy: 1.223778374775948
Energy: 1.1079165896398562
Energy: 1.077330242482595
Energy: 1.1992332821101441
Energy: 1.0773302424841862
Energy: 1.1992332821101441
Energy: 1.0773302424833906
Energy: 1.1992332821109395
Energy: 1.1468528131039921
Energy: 1.166694788537989
Energy: 1.1468528131039921
Energy: 1.1666947885387846
Energy: 1.1468528131047875
Energy: 1.166694788537989
Energy: 1.1671246333901375
Energy: 1.0935975258452808
Energy: 1.1671246333893421
Energy: 1.0935975258444852
Energy: 1.1671246333901375
Energy: 1.0935975258452808
Energy: 0.9621555683528129
Energy: 1.0600618411601483
Energy: 0.9621555683528129
Energy: 1.0600618411593528
Energy: 0.9621555683520172
Energy: 1.0600618411601483
Energy: 1.149416687756532
Energy: 1.1483471679527169
Energy: 1.149416687756532
Energy: 1.1483471679527169
Energy: 1.149416687756532
Energy: 1.1483471679527169
Energy: 1.0811011960616796
Energy: 1.189902161599162
Energy: 1.081101196060884
Energy: 1.189902161599162
Energy: 1.0811011960616796
Energy: 1.1899021615983665
Energy: 1.0813573716947351
Energy: 1.0522665725965907
Energy: 1.0813573716947351
Energy: 1.0522665725973859
Energy: 1.0813573716947351
Energy: 1.0522665725965907
Energy: 1.1823753652889615
Energy: 1.1992993527013796
Energy: 1.182375365289757
Energy: 1.1992993527013796
Energy: 1.182375365289757
Energy: 1.1992993527013796
Energy: 1.164351760428916
Energy: 0.9930999896078293
Energy: 1.164351760428916
Energy: 0.993099989608625
Energy: 1.164351760428916
Energy: 0.9930999896078293
Energy: 1.1508492090092706
Energy: 1.1433462083568056
Energy: 1.1508492090092706
Energy: 1.1433462083568056
Energy: 1.1508492090092706
Energy: 1.1433462083568056
Energy: 1.1661834494706491
Energy: 1.1335846324979832
Energy: 1.1661834494706491
Energy: 1.1335846324979832
Energy: 1.1661834494706491
Energy: 1.133584632498779
Energy: 1.139936153262675
Energy: 1.2214713349334771
Energy: 1.139936153262675
Energy: 1.2214713349326813
Energy: 1.139936153262675
Energy: 1.2214713349326813
Energy: 1.182918768939126
Energy: 1.1782438974962461
Energy: 1.182918768939126
Energy: 1.1782438974962461
Energy: 1.182918768939126
Energy: 1.1782438974962461
Energy: 1.1090479630284906
Energy: 1.0775959893648615
Energy: 1.1090479630300818
Energy: 1.0775959893648615
Energy: 1.109047963029286
Energy: 1.0775959893648615
Energy: 1.1898878602137406
Energy: 1.1158439539580467
Energy: 1.1898878602137406
Energy: 1.1158439539580467
Energy: 1.1898878602129448
Energy: 1.1158439539580467
Energy: 1.0976496534939781
Energy: 1.1870060995145189
Energy: 1.097649653494774
Energy: 1.1870060995145189
Energy: 1.0976496534939781
Energy: 1.1870060995145189
Energy: 1.1210377307446437
Energy: 1.0581324239596843
Energy: 1.121037730746235
Energy: 1.0581324239596843
Energy: 1.121037730745439
Energy: 1.0581324239596843
Energy: 1.1517039349662763
Energy: 1.2058873583034224
Energy: 1.1517039349686633
Energy: 1.2058873583042182
Energy: 1.1517039349678675
Energy: 1.2058873583034224
Energy: 1.2209869732211927
Energy: 1.1965357931341438
Energy: 1.220986973220397
Energy: 1.1965357931341438
Energy: 1.220986973220397
Energy: 1.1965357931349394
Energy: 1.2261624787256784
Energy: 1.0786360123902168
Energy: 1.2261624787272698
Energy: 1.0786360123894212
Energy: 1.2261624787264742
Energy: 1.0786360123894212
Energy: 1.1679106944128559
Energy: 1.2001359377291707
Energy: 1.1679106944136513
Energy: 1.2001359377283751
Energy: 1.1679106944128559
Energy: 1.2001359377283751
Energy: 1.022309141658276
Energy: 1.1656483013847765
Energy: 1.022309141658276
Energy: 1.1656483013847765
Energy: 1.022309141658276
Energy: 1.1656483013847765

minimum gb energy = 0.9621555683520172 eV
minimum distance =  2.32830233070063 Angstroms
sigma value = 33


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

Energy: 1.344300364538011
Energy: 1.1810896468071936
Energy: 1.3443003645370015
Energy: 1.181089646806689
Energy: 1.3443003645375062
Energy: 1.181089646806689
Energy: 1.2012564043979055
Energy: 1.2974721209031486
Energy: 1.2012564043974006
Energy: 1.2974721209036533
Energy: 1.2012564043974006
Energy: 1.2974721209036533
Energy: 1.313628469803252
Energy: 1.2987448899036333
Energy: 1.3136284698037568
Energy: 1.2987448899036333
Energy: 1.313628469803252
Energy: 1.2987448899036333
Energy: 1.2860744462965066
Energy: 1.1916048905688592
Energy: 1.2860744462965066
Energy: 1.191604890569364
Energy: 1.2860744462965066
Energy: 1.1916048905688592
Energy: 1.2101120150032583
Energy: 1.313144763240869
Energy: 1.2101120150042677
Energy: 1.313144763240869
Energy: 1.210112015003763
Energy: 1.313144763240869
Energy: 1.4293936681396886
Energy: 1.3136065102444423
Energy: 1.429393668139184
Energy: 1.3136065102444423
Energy: 1.429393668139184
Energy: 1.3136065102444423
Energy: 1.1991294868419948
Energy: 1.1508026029256644
Energy: 1.1991294868419948
Energy: 1.1508026029251597
Energy: 1.1991294868419948
Energy: 1.1508026029256644
Energy: 1.2953246882649079
Energy: 1.2796009557621297
Energy: 1.2953246882649079
Energy: 1.2796009557621297
Energy: 1.2953246882649079
Energy: 1.2796009557621297
Energy: 1.2762990265718879
Energy: 1.286311819942336
Energy: 1.2762990265723926
Energy: 1.286311819942336
Energy: 1.2762990265718879
Energy: 1.286311819942841
Energy: 1.406144862873615
Energy: 1.30734087070028
Energy: 1.4061448628746247
Energy: 1.2174006022613955
Energy: 1.406144862873615
Energy: 1.2174006022629094
Energy: 1.310178478023225
Energy: 1.2945125296623912
Energy: 1.3101784780237298
Energy: 1.2945125296628959
Energy: 1.310178478023225
Energy: 1.2945125296634006
Energy: 1.2041102202308418
Energy: 1.2038036456920493
Energy: 1.2041102202308418
Energy: 1.2038036456920493
Energy: 1.2041102202308418
Energy: 1.203803645692554
Energy: 1.327790716642603
Energy: 1.244100803812311
Energy: 1.3277907166420984
Energy: 1.2441008038118062
Energy: 1.3277907166420984
Energy: 1.244100803812311
Energy: 1.261496575708707
Energy: 1.2759945830405628
Energy: 1.2614965757092118
Energy: 1.2759945830405628
Energy: 1.2614965757076977
Energy: 1.2759945830405628
Energy: 1.240365647693676
Energy: 1.231399715012941
Energy: 1.240365647693676
Energy: 1.2313997150134457
Energy: 1.2403656476926666
Energy: 1.231399715012941
Energy: 1.2858634588901143
Energy: 1.3163516002685045
Energy: 1.2858634588911237
Energy: 1.3163516002685045
Energy: 1.2858634588911237
Energy: 1.3163516002685045
Energy: 1.192321189228502
Energy: 1.324753369165006
Energy: 1.1923211892290064
Energy: 1.324753369165006
Energy: 1.1923211892274925
Energy: 1.3247533691645013
Energy: 1.3171004512094673
Energy: 1.3647789730886588
Energy: 1.3171004512094673
Energy: 1.364778973088154
Energy: 1.317100451209972
Energy: 1.3647789730886588
Energy: 1.1954681218727445
Energy: 1.3667550737561593
Energy: 1.1954681218722398
Energy: 1.3667550737561593
Energy: 1.1954681218722398
Energy: 1.3667550737561593
Energy: 1.3392775590653756
Energy: 1.3008681804563802
Energy: 1.3392775590658803
Energy: 1.3008681804563802
Energy: 1.3392775590658803
Energy: 1.300868180456885
Energy: 1.3586561234593966
Energy: 1.315445966452766
Energy: 1.3586561234593966
Energy: 1.3154459664522613
Energy: 1.3586561234593966
Energy: 1.315445966452766
Energy: 1.2386365377411488
Energy: 1.1824116506695348
Energy: 1.2386365377411488
Energy: 1.1824116506695348
Energy: 1.238636537740644
Energy: 1.1824116506695348
Energy: 1.2047693974426696
Energy: 1.2946454701558585
Energy: 1.2047693974426696
Energy: 1.2946454701553538
Energy: 1.2047693974436788
Energy: 1.2946454701553538
Energy: 1.368659295768889
Energy: 1.2079542091170221
Energy: 1.3686592957683845
Energy: 1.207954209118536
Energy: 1.3686592957693937
Energy: 1.2079542091175268
Energy: 1.216184764039225
Energy: 1.2117997837051542
Energy: 1.2161847640402341
Energy: 1.2117997837051542
Energy: 1.2161847640397296
Energy: 1.2117997837056587
Energy: 1.2435377079199061
Energy: 1.2899416299317947
Energy: 1.2435377079204109
Energy: 1.2899416299317947
Energy: 1.2435377079199061
Energy: 1.2899416299317947
Energy: 1.199389063773826
Energy: 1.18207973907125
Energy: 1.1993890637743307
Energy: 1.18207973907125
Energy: 1.199389063772312
Energy: 1.18207973907125
Energy: 1.3595343134173576
Energy: 1.3397042328904947
Energy: 1.3595343134178624
Energy: 1.3397042328909994
Energy: 1.359534313418367
Energy: 1.3397042328904947
Energy: 1.3364927513649763
Energy: 1.3112789099459254
Energy: 1.3364927513644715
Energy: 1.3112789099459254
Energy: 1.3364927513649763
Energy: 1.3112789099459254
Energy: 1.1951444160601772
Energy: 1.1457223661449942
Energy: 1.1951444160591682
Energy: 1.1457223661460036
Energy: 1.1951444160601772
Energy: 1.145722366145499
Energy: 1.3646847485189209
Energy: 1.3662420003697826
Energy: 1.3646847485184161
Energy: 1.3662420003697826
Energy: 1.3646847485179114
Energy: 1.3662420003697826
Energy: 1.21359051757224
Energy: 1.300352731113401
Energy: 1.21359051757224
Energy: 1.300352731113401
Energy: 1.2135905175727446
Energy: 1.300352731113401
Energy: 1.2843469104026715
Energy: 1.314465113829868
Energy: 1.2843469104031762
Energy: 1.3144651138283536
Energy: 1.2843469104031762
Energy: 1.314465113829363
Energy: 1.2485802281163538
Energy: 1.2970904230702622
Energy: 1.2485802281163538
Energy: 1.2970904230702622
Energy: 1.2485802281158491
Energy: 1.297090423070767
Energy: 1.2072513669113072
Energy: 1.2990439021070588
Energy: 1.2072513669108025
Energy: 1.2990439021070588
Energy: 1.2072513669108025
Energy: 1.299043902106554
Energy: 1.3500102344240192
Energy: 1.244836968881186
Energy: 1.3500102344235145
Energy: 1.2448369688806813
Energy: 1.3500102344240192
Energy: 1.244836968881186
Energy: 1.2018202313140556
Energy: 1.2305891119626418
Energy: 1.20182023131456
Energy: 1.2305891119626418
Energy: 1.2018202313130462
Energy: 1.2305891119631465

minimum gb energy = 1.1457223661449942 eV
minimum distance =  2.31902799242093 Angstroms
sigma value = 41


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

Energy: 1.4888588638465325
Energy: 1.3519661713964382
Energy: 1.4888588638465325
Energy: 1.3519661713964382
Energy: 1.4888588638479106
Energy: 1.3519661713964382
Energy: 1.353178385565975
Energy: 1.442563382989871
Energy: 1.353178385565975
Energy: 1.442563382989871
Energy: 1.353178385565975
Energy: 1.442563382989871
Energy: 1.624867451023612
Energy: 1.4441399769991907
Energy: 1.5653221773788704
Energy: 1.4441399769991907
Energy: 1.5653221773802481
Energy: 1.4441399769991907
Energy: 1.5105589315026238
Energy: 1.5673633342954878
Energy: 1.5105589315026238
Energy: 1.5673633342954878
Energy: 1.5105589315012458
Energy: 1.5673633342954878
Energy: 1.469642956937688
Energy: 1.4495059335545508
Energy: 1.469642956937688
Energy: 1.4495059335545508
Energy: 1.469642956937688
Energy: 1.4495059335531726
Energy: 1.575842734892039
Energy: 1.4783499352087228
Energy: 1.575842734892039
Energy: 1.4783499352073446
Energy: 1.575842734892039
Energy: 1.4783499352087228
Energy: 1.5066969264758578
Energy: 1.3672208434271425
Energy: 1.5066969264758578
Energy: 1.3672208434271425
Energy: 1.5066969264758578
Energy: 1.3672208434271425
Energy: 1.4388510628885671
Energy: 1.4692150433108386
Energy: 1.4388510628885671
Energy: 1.4692150433108386
Energy: 1.4388510628885671
Energy: 1.4692150433108386
Energy: 1.3528035067864599
Energy: 1.3629240818041606
Energy: 1.3528035067864599
Energy: 1.3629240818041606
Energy: 1.3528035067864599
Energy: 1.3629240818027826
Energy: 1.5017494006922596
Energy: 1.3885284410770975
Energy: 1.5017494006922596
Energy: 1.3885284410770975
Energy: 1.5017494006922596
Energy: 1.3885284410784753
Energy: 1.3540082982123767
Energy: 1.4436720596375674
Energy: 1.3540082982123767
Energy: 1.4436720596375674
Energy: 1.3540082982123767
Energy: 1.4436720596375674
Energy: 1.4340180923614014
Energy: 1.4407588251800685
Energy: 1.4340180923614014
Energy: 1.4407588251800685
Energy: 1.4340180923614014
Energy: 1.4407588251800685
Energy: 1.478991395306615
Energy: 1.467477375927171
Energy: 1.478991395306615
Energy: 1.467477375927171
Energy: 1.478991395306615
Energy: 1.467477375927171
Energy: 1.4715939078094746
Energy: 1.4644482522429203
Energy: 1.4715939078094746
Energy: 1.4644482522415423
Energy: 1.4715939078094746
Energy: 1.4644482522429203

minimum gb energy = 1.3519661713964382 eV
minimum distance =  2.27512958188105 Angstroms
sigma value = 11


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

Energy: 1.6537329230422633
Energy: 1.6379030833444934
Energy: 1.6537329230422633
Energy: 1.6379030833444934
Energy: 1.6537329230422633
Energy: 1.6379030833444934
Energy: 1.444064017026629
Energy: 1.5993489639444982
Energy: 1.444064017026629
Energy: 1.5993489639444982
Energy: 1.444064017026629
Energy: 1.599348963943893
Energy: 1.5805562656969363
Energy: 1.552670556496282
Energy: 1.6207949552881489
Energy: 1.552670556496282
Energy: 1.5805562656969363
Energy: 1.552670556496282
Energy: 1.5590208742696638
Energy: 1.4485328547667586
Energy: 1.5590208742690586
Energy: 1.4485328547667586
Energy: 1.5590208742690586
Energy: 1.4485328547667586
Energy: 1.604906204525547
Energy: 1.5356277260990006
Energy: 1.6049062045261524
Energy: 1.5356277260990006
Energy: 1.6049062045261524
Energy: 1.5356277260983955
Energy: 1.523002083203554
Energy: 1.574897822490924
Energy: 1.523002083203554
Energy: 1.574897822490924
Energy: 1.523002083203554
Energy: 1.5748978224915293
Energy: 1.5722501464732797
Energy: 1.5373579425090484
Energy: 1.5722501464727021
Energy: 1.5373579425090484
Energy: 1.5722501464727021
Energy: 1.5373579425090484
Energy: 1.5300925641628407
Energy: 1.570936400913229
Energy: 1.5300925641628407
Energy: 1.5709364009126237
Energy: 1.5300925641628407
Energy: 1.5709364009126237
Energy: 1.5514374321955715
Energy: 1.5457016861583046
Energy: 1.5514374321955715
Energy: 1.54570168615891
Energy: 1.5514374321955715
Energy: 1.54570168615891
Energy: 1.5358325371325083
Energy: 1.5397699558235833
Energy: 1.5358325371325083
Energy: 1.5397699558235833
Energy: 1.5358325371325083
Energy: 1.5397699558235833
Energy: 1.524268046421385
Energy: 1.5867213781956973
Energy: 1.5242680464219902
Energy: 1.5867213781963028
Energy: 1.524268046421385
Energy: 1.5867213781956973
Energy: 1.565781966140603
Energy: 1.5909200393951763
Energy: 1.565781966140603
Energy: 1.5909200393951763
Energy: 1.565781966140603
Energy: 1.590920039394571
Energy: 1.5606810049501054
Energy: 1.4914650180971785
Energy: 1.5606810049501054
Energy: 1.4914650180971785
Energy: 1.5606810049501054
Energy: 1.4914650180971785
Energy: 1.5347184848047761
Energy: 1.577495138431837
Energy: 1.5347184848041708
Energy: 1.5774951384312315
Energy: 1.5347184848041708
Energy: 1.577495138431837
Energy: 1.493767757660705
Energy: 1.5124509323783446
Energy: 1.4937677576600996
Energy: 1.5124509323783446
Energy: 1.493767757660705
Energy: 1.5124509323783446
Energy: 1.5774760074995864
Energy: 1.5382067474180603
Energy: 1.5774760074989809
Energy: 1.5382067474180603
Energy: 1.5774760074989809
Energy: 1.5382067474180603
Energy: 1.467390511361721
Energy: 1.554361590971175
Energy: 1.4673905113605101
Energy: 1.554361590971175
Energy: 1.4673905113611154
Energy: 1.554361590971175
Energy: 1.5757163783090649
Energy: 1.5872102666321481
Energy: 1.5757163783090649
Energy: 1.5872102666327537
Energy: 1.5757163783090649
Energy: 1.5872102666321481
Energy: 1.5231709560390012
Energy: 1.4536124368708248
Energy: 1.5231709560383957
Energy: 1.45361243687143
Energy: 1.5231709560383957
Energy: 1.4536124368708248
Energy: 1.5291120167677308
Energy: 1.5597257845702666
Energy: 1.5291120167671255
Energy: 1.5597257845696613
Energy: 1.5291120167671255
Energy: 1.5597257845702666
Energy: 1.451632518835039
Energy: 1.4938609462410897
Energy: 1.4516325188356443
Energy: 1.4938609462404842
Energy: 1.451632518835039
Energy: 1.4938609462404842
Energy: 1.6063918772804389
Energy: 1.6460184325075005
Energy: 1.6063918772804389
Energy: 1.6460184325075005
Energy: 1.6063918772810442
Energy: 1.6460184325075005
Energy: 1.5086142255848674
Energy: 1.5525168939705438
Energy: 1.5086142255842623
Energy: 1.5525168939705438
Energy: 1.5086142255842623
Energy: 1.5525168939705438
Energy: 1.5855511726915568
Energy: 1.5984120330888536
Energy: 1.5855511726915568
Energy: 1.5984120330888536
Energy: 1.5855511726909512
Energy: 1.5984120330894591
Energy: 1.5351026848021871
Energy: 1.5446753837479128
Energy: 1.5351026848021871
Energy: 1.5446753837479128
Energy: 1.5351026848021871
Energy: 1.5446753837479128
Energy: 1.4699178399064672
Energy: 1.5729816766300235
Energy: 1.4699178399058617
Energy: 1.5729816766300235
Energy: 1.4699178399064672
Energy: 1.5729816766300235
Energy: 1.5229909221218065
Energy: 1.5936856947158227
Energy: 1.5229909221218065
Energy: 1.5936856947158227
Energy: 1.5229909221218065
Energy: 1.5936856947158227
Energy: 1.560878873088991
Energy: 1.4883390799293539
Energy: 1.560878873088991
Energy: 1.4883390799293539
Energy: 1.560878873088991
Energy: 1.4883390799293539
Energy: 1.5334604002704426
Energy: 1.6033510579638657
Energy: 1.5334604002698373
Energy: 1.6033510579638657
Energy: 1.5334604002698373
Energy: 1.6033510579638657
Energy: 1.495272839076856
Energy: 1.4319997147726204
Energy: 1.495272839076856
Energy: 1.4319997147726204
Energy: 1.495272839076856
Energy: 1.431999714773226
Energy: 1.5336796008776357
Energy: 1.6059083507592358
Energy: 1.5336796008776357
Energy: 1.6059083507592358
Energy: 1.5336796008770301
Energy: 1.6059083507586305

minimum gb energy = 1.4319997147726204 eV
minimum distance =  2.25723966709104 Angstroms
sigma value = 57


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

Energy: 1.455059238231759
Energy: 1.3681725637945468
Energy: 1.455059238231759
Energy: 1.3681725637945468
Energy: 1.455059238231759
Energy: 1.3681725637934696
Energy: 1.565310464708224
Energy: 1.6069080285647237
Energy: 1.565310464708224
Energy: 1.6069080285647237
Energy: 1.565310464708224
Energy: 1.606908028565801
Energy: 1.6160033259890114
Energy: 1.4988521688907415
Energy: 1.6160033259890114
Energy: 1.4988521688907415
Energy: 1.6160033259890114
Energy: 1.4988521688907415
Energy: 1.451846678681937
Energy: 1.4515213808735274
Energy: 1.4518466786797828
Energy: 1.4515213808735274
Energy: 1.451846678681937
Energy: 1.4515213808746046
Energy: 1.616165984161106
Energy: 1.498815496565712
Energy: 1.6161659841621834
Energy: 1.498815496565712
Energy: 1.6161659841621834
Energy: 1.498815496565712
Energy: 1.565819863652194
Energy: 1.541665595991731
Energy: 1.565819863652194
Energy: 1.4085518472983318
Energy: 1.565819863652194
Energy: 1.4085518472983318
Energy: 1.455059238231759
Energy: 1.3681725637934696
Energy: 1.455059238231759
Energy: 1.3681725637934696
Energy: 1.455059238230682
Energy: 1.3681725637934696
Energy: 1.5653104647093015
Energy: 1.6069080285647237
Energy: 1.565310464708224
Energy: 1.6069080285647237
Energy: 1.565310464708224
Energy: 1.6069080285647237
Energy: 1.6160033259900888
Energy: 1.4988521688918184
Energy: 1.6160033259900888
Energy: 1.4988521688918184
Energy: 1.6160033259900888
Energy: 1.4988521688918184
Energy: 1.451846678681937
Energy: 1.6306394982781336
Energy: 1.45184667868086
Energy: 1.6306394982781336
Energy: 1.45184667868086
Energy: 1.6306394982759793
Energy: 1.616165984161106
Energy: 1.4988154965667893
Energy: 1.6161659841621834
Energy: 1.4988154965667893
Energy: 1.616165984161106
Energy: 1.4988154965667893
Energy: 1.5658198636532714
Energy: 1.4085518472983318
Energy: 1.5658198636532714
Energy: 1.4085518472983318
Energy: 1.5658198636532714
Energy: 1.4085518472983318
Energy: 1.455059238230682
Energy: 1.3681725637945468
Energy: 1.455059238231759
Energy: 1.3681725637945468
Energy: 1.455059238231759
Energy: 1.3681725637945468
Energy: 1.5653104647093015
Energy: 1.6069080285647237
Energy: 1.565310464708224
Energy: 1.606908028565801
Energy: 1.565310464708224
Energy: 1.6069080285647237
Energy: 1.6160033259890114
Energy: 1.4988521688907415
Energy: 1.6160033259890114
Energy: 1.4988521688907415
Energy: 1.6160033259890114
Energy: 1.4988521688907415
Energy: 1.451846678681937
Energy: 1.3801270689342486
Energy: 1.451846678681937
Energy: 1.3801270689331713
Energy: 1.451846678681937
Energy: 1.3801270689331713
Energy: 1.616165984161106
Energy: 1.498815496565712
Energy: 1.6161659841621834
Energy: 1.498815496565712
Energy: 1.6161659841621834
Energy: 1.498815496565712

minimum gb energy = 1.3681725637934696 eV
minimum distance =  2.29877014784405 Angstroms
sigma value = 9


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

Energy: 1.5576694251046543
Energy: 1.6404917134243464
Energy: 1.5576694251046543
Energy: 1.6404917134243464
Energy: 1.5576694251046543
Energy: 1.6404917134243464
Energy: 1.5187832821138851
Energy: 1.5237037566516944
Energy: 1.5187832821130056
Energy: 1.5237037566516944
Energy: 1.5187832821130056
Energy: 1.5237037566508147
Energy: 1.5788634163511657
Energy: 1.5089432079562728
Energy: 1.5098143994477775
Energy: 1.5089432079571523
Energy: 1.5788634163511657
Energy: 1.5089432079571523
Energy: 1.4785665365275815
Energy: 1.6061278017527814
Energy: 1.4785665365284608
Energy: 1.606127801751902
Energy: 1.4785665365267018
Energy: 1.606127801751902
Energy: 1.5181863796821378
Energy: 1.5293588714547166
Energy: 1.5181863796821378
Energy: 1.5293588714547166
Energy: 1.5181863796812582
Energy: 1.5293588714538369
Energy: 1.528216337133044
Energy: 1.515100774338585
Energy: 1.528216337133044
Energy: 1.5151007743394644
Energy: 1.528216337133044
Energy: 1.515100774338585
Energy: 1.4965398764337294
Energy: 1.5370454342776871
Energy: 1.4965398764328497
Energy: 1.5370454342776871
Energy: 1.4965398764337294
Energy: 1.5370454342776871
Energy: 1.4933144747973195
Energy: 1.5510950389171272
Energy: 1.49331447479644
Energy: 1.5510950389171272
Energy: 1.4933144747973195
Energy: 1.5510950389171272
Energy: 1.7089799203640401
Energy: 1.5659013671296957
Energy: 1.7089799203631606
Energy: 1.5659013671305753
Energy: 1.7089799203640401
Energy: 1.5659013671296957
Energy: 1.4984640733371206
Energy: 1.5055794864431407
Energy: 1.498464073336241
Energy: 1.5055794864431407
Energy: 1.4984640733371206
Energy: 1.5055794864431407
Energy: 1.5054093497656071
Energy: 1.5186736573065984
Energy: 1.5054093497647276
Energy: 1.5186736573074777
Energy: 1.5054093497656071
Energy: 1.5186736573065984
Energy: 1.5842804342071644
Energy: 1.5458301877655027
Energy: 1.5842804342071644
Energy: 1.545830187766382
Energy: 1.584280434206285
Energy: 1.5458301877655027
Energy: 1.4783128994526946
Energy: 1.5628520492509526
Energy: 1.4783128994535741
Energy: 1.5628520492509526
Energy: 1.4783128994535741
Energy: 1.5628520492509526
Energy: 1.5370435562491835
Energy: 1.507923934443117
Energy: 1.5370435562491835
Energy: 1.5079239344439965
Energy: 1.537043556250063
Energy: 1.507923934443117
Energy: 1.5286327600264364
Energy: 1.5405078910123475
Energy: 1.5286327600264364
Energy: 1.5405078910123475
Energy: 1.528632760027316
Energy: 1.5405078910123475
Energy: 1.5551579055105798
Energy: 1.5173676393865976
Energy: 1.5551579055123388
Energy: 1.517367639385758
Energy: 1.5551579055114593
Energy: 1.517367639385758
Energy: 1.5505343265087606
Energy: 1.5181692824854593
Energy: 1.550534326507881
Energy: 1.5181692824854593
Energy: 1.550534326507881
Energy: 1.5181692824854593
Energy: 1.7212546139429528
Energy: 1.5291987480167455
Energy: 1.7212546139429528
Energy: 1.5291987480167455
Energy: 1.7212546139429528
Energy: 1.5291987480167455
Energy: 1.496022814897555
Energy: 1.5093678729075224
Energy: 1.4960228148966754
Energy: 1.5093678729066426
Energy: 1.4960228148966754
Energy: 1.5093678729066426
Energy: 1.5913250041218152
Energy: 1.5553109207435871
Energy: 1.5913250041218152
Energy: 1.5553109207435871
Energy: 1.5913250041226947
Energy: 1.5553109207427076
Energy: 1.5862877155994877
Energy: 1.543493695312763
Energy: 1.5862877155986084
Energy: 1.543493695312763
Energy: 1.5862877155994877
Energy: 1.543493695312763

minimum gb energy = 1.4783128994526946 eV
minimum distance =  2.28592584283267 Angstroms
sigma value = 27


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

Energy: 1.613948234753058
Energy: 1.837344913089262
Energy: 1.5698037028531084
Energy: 1.837344913089262
Energy: 1.613948234753058
Energy: 1.8373449130907447
Energy: 1.6082270049568161
Energy: 1.5411402068659381
Energy: 1.6082270049575578
Energy: 1.5411402068659381
Energy: 1.6082270049568161
Energy: 1.5411402068659381
Energy: 1.486295382439988
Energy: 1.4985943415443945
Energy: 1.4862953824385055
Energy: 1.4985943415443945
Energy: 1.486295382439988
Energy: 1.4985943415429117
Energy: 1.453597682908338
Energy: 1.59751305460469
Energy: 1.4535976829075967
Energy: 1.5975130546054312
Energy: 1.453597682908338
Energy: 1.5975130546039484
Energy: 1.4535793984922492
Energy: 1.567790944552759
Energy: 1.4535793984929908
Energy: 1.567790944552759
Energy: 1.453579398491508
Energy: 1.567790944551276
Energy: 1.576307453255667
Energy: 1.5854518685647283
Energy: 1.5763074532564085
Energy: 1.5854518685647283
Energy: 1.576307453255667
Energy: 1.5854518685647283
Energy: 1.4781245719742226
Energy: 1.587085287088837
Energy: 1.4781245719734812
Energy: 1.587085287088837
Energy: 1.4781245719742226
Energy: 1.5870852870880958
Energy: 1.567018704515577
Energy: 1.485168346303294
Energy: 1.5670187045170598
Energy: 1.485168346303294
Energy: 1.567018704515577
Energy: 1.485168346303294
Energy: 1.6561398570064798
Energy: 1.4534269362464318
Energy: 1.6561325407770981
Energy: 1.4534269362464318
Energy: 1.6561398570064798
Energy: 1.4534269362456904
Energy: 1.585036007289951
Energy: 1.534963355679048
Energy: 1.585109290510699
Energy: 1.534963355679048
Energy: 1.5850360072906922
Energy: 1.534963355679048
Energy: 1.5847042827154414
Energy: 1.5664812712643876
Energy: 1.5847559955459745
Energy: 1.566481271265129
Energy: 1.5847042827154414
Energy: 1.566481271265129
Energy: 1.5888017259159846
Energy: 1.479336590330143
Energy: 1.5888017259167262
Energy: 1.479336590330143
Energy: 1.5888017259159846
Energy: 1.4793365903308844
Energy: 1.5200841694199592
Energy: 1.5994585496702178
Energy: 1.5200841694192178
Energy: 1.5994585496702178
Energy: 1.5200841694199592
Energy: 1.599458549666511
Energy: 1.453641150971518
Energy: 1.5114750129579204
Energy: 1.4536411509707765
Energy: 1.5114750129579204
Energy: 1.4536411509707765
Energy: 1.5114750129586618
Energy: 1.6618759382848987
Energy: 1.5827461206877802
Energy: 1.6624826235861159
Energy: 1.5827461206885216
Energy: 1.6618759382848987
Energy: 1.5827461206870388
Energy: 1.541443737863646
Energy: 1.5683763721263353
Energy: 1.5414437378629047
Energy: 1.5683763721270767
Energy: 1.541443737863646
Energy: 1.5683763721255939
Energy: 1.4783372963586903
Energy: 1.4865615855006045
Energy: 1.4783372963594317
Energy: 1.4865615855006045
Energy: 1.4783372963586903
Energy: 1.486561585499863
Energy: 1.5967266702149827
Energy: 1.5134491557089271
Energy: 1.5967266702142415
Energy: 1.5134491557089271
Energy: 1.5967266702149827
Energy: 1.5134491557104097
Energy: 1.5192091232974518
Energy: 1.50741120752169
Energy: 1.5248879973798954
Energy: 1.50741120752169
Energy: 1.5192091232974518
Energy: 1.50741120752169
Energy: 1.6139482347523166
Energy: 1.837344913089262
Energy: 1.569803702852367
Energy: 1.837344913089262
Energy: 1.6139482347523166
Energy: 1.8373449130900035
Energy: 1.608227004956075
Energy: 1.5411402068644553
Energy: 1.608227004956075
Energy: 1.5411402068651967
Energy: 1.608227004956075
Energy: 1.5411402068659381
Energy: 1.4862953824392466
Energy: 1.4985943415436531
Energy: 1.4862953824392466
Energy: 1.4985943415436531
Energy: 1.4862953824392466
Energy: 1.4985943415421703
Energy: 1.453597682908338
Energy: 1.59751305460469
Energy: 1.453597682908338
Energy: 1.5975130546054312
Energy: 1.453597682908338
Energy: 1.5975130546054312
Energy: 1.4535793984900254
Energy: 1.5677909445535003
Energy: 1.453579398493732
Energy: 1.5677909445535003
Energy: 1.4535793984907666
Energy: 1.567790944552759
Energy: 1.5763074532564085
Energy: 1.585451868563987
Energy: 1.57630745325715
Energy: 1.585451868563987
Energy: 1.5763074532564085
Energy: 1.5854518685647283

minimum gb energy = 1.4534269362456904 eV
minimum distance =  2.25955369389451 Angstroms
sigma value = 19


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

Energy: 1.4702558615367647
Energy: 1.699164480685255
Energy: 1.4702558615361248
Energy: 1.699164480685255
Energy: 1.4702558615367647
Energy: 1.699164480685255
Energy: 1.5219906465908588
Energy: 1.5263393913372763
Energy: 1.5219906465908588
Energy: 1.5263393913372763
Energy: 1.5219906465908588
Energy: 1.526339391336636
Energy: 1.5583829895178911
Energy: 1.426926177713799
Energy: 1.5583829895172512
Energy: 1.426926177713799
Energy: 1.5583829895172512
Energy: 1.426926177713799
Energy: 1.4182422740619003
Energy: 1.5504760197066363
Energy: 1.4182422740625402
Energy: 1.5504760197066363
Energy: 1.4182422740619003
Energy: 1.5504760197066363
Energy: 1.5221883572968729
Energy: 1.5191873163682201
Energy: 1.5221883572975128
Energy: 1.5191873163675802
Energy: 1.5221883572968729
Energy: 1.5191873163682201
Energy: 1.56518764409428
Energy: 1.4256901584045782
Energy: 1.56518764409428
Energy: 1.4256901584045782
Energy: 1.56518764409428
Energy: 1.4256901584045782
Energy: 1.4683209156444799
Energy: 1.6390879619150125
Energy: 1.4683209156451198
Energy: 1.6390879619150125
Energy: 1.4683209156451198
Energy: 1.6390879619150125
Energy: 1.4498779478756987
Energy: 1.6440423212352382
Energy: 1.4498779478756987
Energy: 1.6440423212352382
Energy: 1.4498779478756987
Energy: 1.6440423212352382
Energy: 1.5925863441339538
Energy: 1.3966718791494697
Energy: 1.5925863441339538
Energy: 1.3966718791494697
Energy: 1.5925863441339538
Energy: 1.3966718791494697
Energy: 1.5219539204957366
Energy: 1.5175598025827892
Energy: 1.5219539204957366
Energy: 1.5175598025821493
Energy: 1.5219539204963766
Energy: 1.5175598025827892
Energy: 1.4076271252369272
Energy: 1.630832245402257
Energy: 1.4076271252369272
Energy: 1.6308322454016173
Energy: 1.4076271252375672
Energy: 1.630832245402257
Energy: 1.5942714408522345
Energy: 1.4250571330365596
Energy: 1.5942714408522345
Energy: 1.4250571330365596
Energy: 1.5942714408522345
Energy: 1.4250571330365596
Energy: 1.5427399304341796
Energy: 1.4808303723033656
Energy: 1.5427399304348195
Energy: 1.4808303723033656
Energy: 1.5427399304341796
Energy: 1.4808303723033656
Energy: 1.424064688312611
Energy: 1.5485081955538544
Energy: 1.424064688312611
Energy: 1.5485081955544944
Energy: 1.424064688312611
Energy: 1.5485081955544944
Energy: 1.5628933778837948
Energy: 1.434282382957273
Energy: 1.5628933778837948
Energy: 1.4342823829579128
Energy: 1.5628933778831549
Energy: 1.4342823829579128
Energy: 1.6226550784087521
Energy: 1.3968288984964827
Energy: 1.6226550784087521
Energy: 1.3968288984964827
Energy: 1.6226550784087521
Energy: 1.3968288984952029
Energy: 1.434850350967425
Energy: 1.5454405203448547
Energy: 1.434850350967425
Energy: 1.5454405203448547
Energy: 1.434850350967425
Energy: 1.5454405203448547
Energy: 1.503896109079041
Energy: 1.5419278312163953
Energy: 1.503896109078401
Energy: 1.5419278312170352
Energy: 1.503896109078401
Energy: 1.5419278312163953
Energy: 1.5353899557575459
Energy: 1.424627469130162
Energy: 1.5353899557575459
Energy: 1.424627469130802
Energy: 1.5353899557575459
Energy: 1.424627469130162
Energy: 1.4337409965021304
Energy: 1.5205389001498917
Energy: 1.4337409965034102
Energy: 1.5205389001498917
Energy: 1.4337409965027703
Energy: 1.5205389001492517
Energy: 1.4298535115067161
Energy: 1.6272403553390944
Energy: 1.4298535115067161
Energy: 1.6272403553390944
Energy: 1.4298535115067161
Energy: 1.627240355339734
Energy: 1.599816540211511
Energy: 1.4267986967434898
Energy: 1.599816540211511
Energy: 1.4267986967434898
Energy: 1.599816540212151
Energy: 1.4267986967434898
Energy: 1.5656925980409628
Energy: 1.5240436181785504
Energy: 1.565692598041603
Energy: 1.5240436181785504
Energy: 1.5656925980409628
Energy: 1.5240436181785504
Energy: 1.458667819719558
Energy: 1.5304164360578363
Energy: 1.458667819718918
Energy: 1.5304164360578363
Energy: 1.458667819719558
Energy: 1.5304164360578363
Energy: 1.5004741629549463
Energy: 1.4269640642794377
Energy: 1.5004741629549463
Energy: 1.4269640642794377
Energy: 1.5004741629549463
Energy: 1.4269640642794377
Energy: 1.550382210799516
Energy: 1.4507945384868899
Energy: 1.550382210799516
Energy: 1.4507945384862497
Energy: 1.550382210799516
Energy: 1.4507945384862497
Energy: 1.401089303322673
Energy: 1.532267803215975
Energy: 1.401089303323313
Energy: 1.5322678032153352
Energy: 1.401089303322673
Energy: 1.532267803215975
Energy: 1.547587223720774
Energy: 1.4243316830164188
Energy: 1.547587223720774
Energy: 1.4243316830164188
Energy: 1.547587223720774
Energy: 1.4243316830157788
Energy: 1.5116715007922499
Energy: 1.4246633181909354
Energy: 1.5116715007922499
Energy: 1.4246633181909354
Energy: 1.5116715007922499
Energy: 1.4246633181909354

minimum gb energy = 1.3966718791494697 eV
minimum distance =  2.27862948536501 Angstroms
sigma value = 101


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

Energy: 1.3820956594395108
Energy: 1.5673826096935302
Energy: 1.3820956594395108
Energy: 1.5673826096929677
Energy: 1.3820956594400735
Energy: 1.5673826096929677
Energy: 1.4965021439565773
Energy: 1.4331404014632187
Energy: 1.4965021439560149
Energy: 1.4331404014632187
Energy: 1.4965021439565773
Energy: 1.4331404014654692
Energy: 1.4772501833226537
Energy: 1.3616889185914038
Energy: 1.4772501833232161
Energy: 1.3616889185914038
Energy: 1.4772501833226537
Energy: 1.3616889185914038
Energy: 1.3235002412231387
Energy: 1.791119983024063
Energy: 1.3235002412231387
Energy: 1.7507876989331739
Energy: 1.3235002412220138
Energy: 1.7507876989337363
Energy: 1.4377028088688186
Energy: 1.4219610060779564
Energy: 1.4377028088693813
Energy: 1.421961006076831
Energy: 1.4377028088688186
Energy: 1.421961006076831
Energy: 1.5467672432318234
Energy: 1.3420821905446276
Energy: 1.5467672432318234
Energy: 1.3420821905446276
Energy: 1.546767243232386
Energy: 1.3420821905446276
Energy: 1.3578917363260694
Energy: 1.6555615701371769
Energy: 1.3578917363255065
Energy: 1.6555615701371769
Energy: 1.3578917363266318
Energy: 1.6555615701371769
Energy: 1.3423570455745282
Energy: 1.4937100017920677
Energy: 1.3423570455745282
Energy: 1.4937100017920677
Energy: 1.3423570455739657
Energy: 1.4937100017915053
Energy: 1.5423082374224648
Energy: 1.3433745221507458
Energy: 1.5423082374219024
Energy: 1.3433745221507458
Energy: 1.5423082374224648
Energy: 1.3433745221507458
Energy: 1.5152412229593182
Energy: 1.4356567317531808
Energy: 1.5152412229598808
Energy: 1.500063750030539
Energy: 1.5152412229598808
Energy: 1.500063750030539
Energy: 1.3224508941650885
Energy: 1.6545050411064828
Energy: 1.3224508941650885
Energy: 1.6545050411064828
Energy: 1.3224508941650885
Energy: 1.6545050411064828
Energy: 1.4283423804641064
Energy: 1.397242116858515
Energy: 1.428342380463544
Energy: 1.3972421168579525
Energy: 1.4283423804657942
Energy: 1.3972421168573899
Energy: 1.5049777649592242
Energy: 1.362230339973028
Energy: 1.5049777649592242
Energy: 1.362230339973028
Energy: 1.5049777649592242
Energy: 1.3622303399735907
Energy: 1.3822231562348968
Energy: 1.525365353590056
Energy: 1.3822231562354594
Energy: 1.5764129112405982
Energy: 1.3822231562354594
Energy: 1.5764129112400358
Energy: 1.4835709533652677
Energy: 1.4095601398823492
Energy: 1.4835709533652677
Energy: 1.4095601398817865
Energy: 1.4835709533652677
Energy: 1.4095601398823492
Energy: 1.558321534036334
Energy: 1.3650387818300855
Energy: 1.5583215340368965
Energy: 1.3650387818300855
Energy: 1.5583215340368965
Energy: 1.3650387818300855
Energy: 1.322507845294521
Energy: 1.45475969207231
Energy: 1.3225078452950834
Energy: 1.4547596920694972
Energy: 1.3225078452956458
Energy: 1.4547596920700598
Energy: 1.316613112866364
Energy: 1.4772685047301182
Energy: 1.3166131128658016
Energy: 1.4772685047301182
Energy: 1.3166131128658016
Energy: 1.4772685047301182
Energy: 1.543788753115771
Energy: 1.342634411861477
Energy: 1.543788753115771
Energy: 1.342634411861477
Energy: 1.5437887531152086
Energy: 1.342634411861477
Energy: 1.4311057716906053
Energy: 1.4819470451210874
Energy: 1.4311057716911677
Energy: 1.4819470451210874
Energy: 1.4311057716911677
Energy: 1.481947045120525
Energy: 1.3423345794166515
Energy: 1.639427700999955
Energy: 1.342334579417214
Energy: 1.639427700999955
Energy: 1.3423345794166515
Energy: 1.639427700999955
Energy: 1.658470103222045
Energy: 1.3415358921412592
Energy: 1.6584701032226075
Energy: 1.3415358921406966
Energy: 1.6584701032226075
Energy: 1.3415358921406966
Energy: 1.5451620000798452
Energy: 1.3423805861224978
Energy: 1.5451620000804076
Energy: 1.3423805861224978
Energy: 1.5451620000798452
Energy: 1.3423805861224978
Energy: 1.3236901103892158
Energy: 1.5474198483168857
Energy: 1.3236901103886531
Energy: 1.5474198483163233
Energy: 1.3236901103886531
Energy: 1.5474198483168857
Energy: 1.429780340464732
Energy: 1.3934737706629052
Energy: 1.4297803404658571
Energy: 1.393473770663468
Energy: 1.4297803404652947
Energy: 1.3934737706640303
Energy: 1.5056798571756396
Energy: 1.3616301448745451
Energy: 1.5056798571756396
Energy: 1.3616301448751078
Energy: 1.5056798571756396
Energy: 1.3616301448751078
Energy: 1.382205717448451
Energy: 1.5007946947149646
Energy: 1.3822057174490137
Energy: 1.500794694715527
Energy: 1.3822057174490137
Energy: 1.500794694715527
Energy: 1.3827312657677182
Energy: 1.5184976763076414
Energy: 1.3827312657682806
Energy: 1.5184976763082039
Energy: 1.3827312657677182
Energy: 1.5184976763076414
Energy: 1.5474494219391302
Energy: 1.3615909763299308
Energy: 1.5474494219385677
Energy: 1.3615909763299308
Energy: 1.5474494219385677
Energy: 1.3615909763299308
Energy: 1.3164919832417923
Energy: 1.4968960985293769
Energy: 1.3164919832406672
Energy: 1.496896098530502
Energy: 1.3164919832423547
Energy: 1.4968960985299393
Energy: 1.3223834105541694
Energy: 1.4708177457131226
Energy: 1.3223834105524819
Energy: 1.4708177457131226
Energy: 1.3223834105524819
Energy: 1.4708177457131226
Energy: 1.5267261208702476
Energy: 1.3413163165339421
Energy: 1.5267261208696852
Energy: 1.3413163165345046
Energy: 1.5267261208691225
Energy: 1.3413163165345046
Energy: 1.6593938627069231
Energy: 1.342410370263035
Energy: 1.6593938627063602
Energy: 1.3424103702635977
Energy: 1.6593938627069231
Energy: 1.342410370263035

minimum gb energy = 1.3164919832406672 eV
minimum distance =  2.29769348240172 Angstroms
sigma value = 33


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

Energy: 0.020522328936535356
Energy: 1.2229120208040658
Energy: 0.020522328936535356
Energy: 1.2229120208040658
Energy: 0.020522328936535356
Energy: 1.2229120208035984
Energy: 0.021436236933652958
Energy: 0.45538611441567645
Energy: 0.021436236933652958
Energy: 0.45538611441567645
Energy: 0.021436236933652958
Energy: 0.45538611441567645
Energy: 1.2235792143306252
Energy: 0.45468700029134235
Energy: 1.2239751149429965
Energy: 0.45468700053392386
Energy: 1.2239750993277796
Energy: 0.45468700100719406
Energy: 0.021436236933652958
Energy: 0.4553861144152091
Energy: 0.021436236934068428
Energy: 0.4553861144152091
Energy: 0.021436236934068428
Energy: 0.45538611441567645

minimum gb energy = 0.020522328936535356 eV
minimum distance =  2.4849282625872 Angstroms
sigma value = 1