Model name: model_name=MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6150126680731782
cohesive_energy=3.540278438756699
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.90759956573942e-19, 2.52610383352878e-19, 2.98993396907178e-19, 3.36652558689348e-19, 3.68409301751862e-19, 3.9576646777741197e-19, 4.1964210397728e-19, 4.406498440022879e-19, 4.592222755436159e-19, 4.756846404579659e-19, 4.90280469593706e-19, 5.03208432853452e-19, 5.1462714572397e-19, 5.24666384512614e-19, 5.33435097230496e-19, 5.410262101223879e-19, 5.47521434196624e-19, 5.529880608718319e-19, 5.57488575036738e-19, 5.6107424634363e-19, 5.63794742268162e-19, 5.65693321579452e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.66776392984036e-19, 5.6549945820673795e-19, 5.631746999108039e-19, 5.596002438403499e-19, 5.54542172206812e-19, 5.477088888628019e-19, 5.387527214787419e-19, 5.272474910699879e-19, 5.1266928587722195e-19, 4.94370826540308e-19, 4.71546218212344e-19, 4.431892939671779e-19, 4.0802472120414597e-19, 3.64426290639738e-19, 3.1029995741331596e-19, 2.42917214717178e-19, 1.5868149644332077e-19, 5.278563181909079e-20, -8.129812741541819e-20, -2.5257673764356396e-19, -4.7374760890746e-19, -7.63083085064886e-19, -1.1475958641650818e-18, -1.66844265958224e-18, -2.39057571205872e-18, -3.42114378834654e-18, -4.9463037915501595e-18, -7.31175737398776e-18, -1.1217335289390538e-17, -1.82539188264888e-17]
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: 0.0167234763949157
Energy: 0.017549529118907482
Energy: 1.396642078927797
Energy: 1.7284642296520527
Energy: 1.293172912524608
Energy: 0.5102655776441312
Energy: 0.017606062658224016
Energy: 0.01726489603203955
Energy: 0.8618005913554149
Energy: 0.4494257813360925
Energy: 1.0983715771474634
Energy: 0.8637512964420716
Energy: 0.01767845737170947
Energy: 0.09707142359845564
Energy: 0.01704661155114251
Energy: 0.8613407812762099
Energy: 0.25752201954345605
Energy: 1.097954352148844
Energy: 0.8609544502588433
Energy: 0.09605476420814958
Energy: 0.09725983252130314
Energy: 0.01934256467803303
Energy: 0.8687367399749256
Energy: 0.5812785898599745
Energy: 1.099244014333828
Energy: 0.9203167930395437
Energy: 0.09632212872465702
Energy: 0.01771419147254531
Energy: 0.09639748750749308
Energy: 0.9206754200794928
Energy: 0.4489757394859118
Energy: 1.0981880509502109
Energy: 0.8629561164630297
Energy: 0.017546900244883545
Energy: 0.09713578441243206
Energy: 0.017189751174073536
Energy: 0.8611222027647321
Energy: 0.2577133286961274
Energy: 1.098430496654979
Energy: 0.8602170720892297
Energy: 0.09610825248853855
Energy: 0.0974900792058268

minimum gb energy = 0.0167234763949157 eV
minimum distance =  2.53274294155545 Angstroms
sigma value = 5


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

Energy: 1.533097349795622
Energy: 1.5131178861791337
Energy: 1.7213611818130334
Energy: 1.5866849062438144
Energy: 1.797337817652735
Energy: 1.6225422275202346
Energy: 1.5167641496318773
Energy: 1.4114785110936343
Energy: 1.4339395931344816
Energy: 1.424159878430492
Energy: 1.5085694648871661
Energy: 1.4699612573611818
Energy: 1.4328488455855983
Energy: 1.3823508580088264
Energy: 1.4388012858506583
Energy: 1.3680287162405058
Energy: 1.4772604573923822
Energy: 1.4131013501130063
Energy: 1.5067458592814924
Energy: 1.4572448402273965
Energy: 1.3913857996873003
Energy: 1.4013967482998004
Energy: 1.6346501831551032
Energy: 1.4404137806351802
Energy: 1.412925556421779
Energy: 1.410106471175845
Energy: 1.5089022156573946
Energy: 1.7101174024404457
Energy: 1.7025190472685297
Energy: 1.507474627155601
Energy: 1.5464356935523282
Energy: 1.5295303902622923
Energy: 1.4304095667536019
Energy: 1.671060681390517
Energy: 1.6568792572438193
Energy: 1.4760760124692656
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Energy: 1.4833578315416984
Energy: 1.6148558747686337
Energy: 1.5406886856389097
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Energy: 1.472575989252333
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Energy: 1.5592095493757059
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Energy: 1.422794570741192
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Energy: 1.586624545386357
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Energy: 1.3812035165691834
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Energy: 1.5266441494189293
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Energy: 1.6549583517499662
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Energy: 1.5747602714325053
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Energy: 1.4424596843009911
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Energy: 1.5884443913535553
Energy: 1.3411404561379958
Energy: 1.4824857006128629
Energy: 1.6413389007597545
Energy: 1.5402567881760556
Energy: 1.512443589703051
Energy: 1.5082571955900315
Energy: 1.6054368837768114
Energy: 1.6249851921796543
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Energy: 1.4626718684071827
Energy: 1.4359891618887313
Energy: 1.4404026001101686
Energy: 1.4372719790775104
Energy: 1.4640082050941932
Energy: 1.5273132907470452
Energy: 1.4529955474798542
Energy: 1.4802645022997085
Energy: 1.4115659601548824
Energy: 1.5062057911354234
Energy: 1.3886083375280358
Energy: 1.429132798908539
Energy: 1.4675212562252475
Energy: 1.6693447945780386
Energy: 1.5296338057746401
Energy: 1.590884671077454
Energy: 1.5207650911399568
Energy: 1.4847663907822826
Energy: 1.6244799016797906
Energy: 1.4959851361541063
Energy: 1.420519070639675
Energy: 1.4999742123445308
Energy: 1.4136683346624823
Energy: 1.491785590162043
Energy: 1.3833294031973018
Energy: 1.4500712128243087
Energy: 1.612803098871421
Energy: 1.628599943716508
Energy: 1.3797884102752742
Energy: 1.4698504260647083
Energy: 1.5187786508156274
Energy: 1.5091275486822746
Energy: 1.5224635972977607
Energy: 1.4181161683159738
Energy: 1.4835932868325485
Energy: 1.6667129422226252
Energy: 1.5499573769903183
Energy: 1.6371430160793734
Energy: 1.5866081540645796
Energy: 1.4795542136303297
Energy: 1.4684250581312919
Energy: 1.5385166422458068
Energy: 1.568120292740767
Energy: 1.7002919788653954
Energy: 1.4376950968183728
Energy: 1.5426842905930682
Energy: 1.4974510197969682
Energy: 1.3957979117901522

minimum gb energy = 1.3411404561379958 eV
minimum distance =  2.2390904945055 Angstroms
sigma value = 401


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

Energy: 1.744806630612978
Energy: 1.660052019060158
Energy: 1.6612587345129064
Energy: 1.4897006377019255
Energy: 2.0277047803484325
Energy: 1.5924292907693443
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Energy: 1.444051599459065
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Energy: 1.53135414054503
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Energy: 1.4135955496092365
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Energy: 1.478343693749128
Energy: 1.4381192449580043
Energy: 1.3854068282910261
Energy: 1.7064754480383748
Energy: 1.5562023899423516
Energy: 1.480682944720523
Energy: 1.5978173110136387
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Energy: 1.5058394296822495
Energy: 1.4476951544550893
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Energy: 1.3818027390107281
Energy: 1.689021520163598
Energy: 1.388232603442545
Energy: 1.8015899391060697
Energy: 1.5744751076179655
Energy: 1.4536663390798394
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Energy: 1.460701128518815
Energy: 1.5659240973955937
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Energy: 1.7619057991388782
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Energy: 1.3661824524044845
Energy: 1.3574715941118274
Energy: 1.4074888050718264
Energy: 1.4657888535400094
Energy: 1.5869502166172562
Energy: 1.4822332509910185
Energy: 1.4305993456711383
Energy: 1.3396003867223427
Energy: 1.3584712922820419
Energy: 1.591052140673332
Energy: 1.5310014344836365
Energy: 1.5345648838573083
Energy: 1.3893009379632142
Energy: 1.4745833092137715
Energy: 1.3637990415302228
Energy: 1.3925771981893973
Energy: 1.4716309444124418
Energy: 1.3735322815755677
Energy: 1.5866125171130099
Energy: 1.5178024788643143
Energy: 1.44092120193566
Energy: 1.7426752777636336
Energy: 1.4245311976226387
Energy: 1.431566411060011
Energy: 1.5207720082364293
Energy: 1.4762848382011091
Energy: 1.4205031114421982
Energy: 1.641278317119136
Energy: 1.499682858887657
Energy: 1.5501398364630223
Energy: 1.4766660063501187
Energy: 1.4988071184391283
Energy: 1.5025130911155808
Energy: 1.334229499657021
Energy: 1.4521905418228318
Energy: 1.400809660044118
Energy: 1.5213394223794698
Energy: 1.4552368285633113
Energy: 1.4452195241225658
Energy: 1.4324968873276156
Energy: 1.4083906318232833
Energy: 1.3328067147507765
Energy: 1.4709665295943988
Energy: 1.495060671247482
Energy: 1.4922624810898248
Energy: 1.5048550937795382
Energy: 1.4297351406157166
Energy: 1.5111952989624196
Energy: 1.5255497688331732
Energy: 1.4524843815517652
Energy: 1.3664048557118929
Energy: 1.6237433788195788
Energy: 1.4126371247086735
Energy: 1.7961958749716052
Energy: 1.388959020038267
Energy: 1.3526183391001796
Energy: 1.3977219464086532
Energy: 1.5114821842759847
Energy: 1.4325880821297499
Energy: 1.5738031782432529
Energy: 1.6273634709810996
Energy: 1.4220290586212525
Energy: 1.4401168830456144
Energy: 1.3776690647046905
Energy: 1.397884733754063
Energy: 1.426416369235254
Energy: 1.4395497699134623
Energy: 1.682979683665133
Energy: 1.4777012740916833
Energy: 1.4974455100024013
Energy: 1.383039359724055
Energy: 1.3602585206826738
Energy: 1.4042331444778102
Energy: 1.6835756121227656
Energy: 1.6151004268617484
Energy: 1.4154641577232878
Energy: 1.4150976636735506
Energy: 1.3371337688223282
Energy: 1.3606377771274452
Energy: 1.4843927895141757
Energy: 1.4284599549290213
Energy: 1.8062778241936448
Energy: 1.3803315654376977
Energy: 1.5790926953816569
Energy: 1.4378056578003493
Energy: 1.45607251868455
Energy: 1.6081300606918014
Energy: 1.48833209866957
Energy: 1.4979781988872414
Energy: 1.5770031466422785
Energy: 1.4974143521961596
Energy: 1.4540759531620995
Energy: 1.48073205140068
Energy: 1.570379480802762
Energy: 1.41688979343084
Energy: 1.5382920883166633
Energy: 1.4027133770361437
Energy: 1.6195440121667957
Energy: 1.493877830977057
Energy: 1.583081233884411
Energy: 1.4488454050461532
Energy: 1.5142065049379896
Energy: 1.4276828622121551
Energy: 1.4212266374554225
Energy: 1.7146521555865908
Energy: 1.4176681958041595
Energy: 1.4916617097856586
Energy: 1.4633990992384502
Energy: 1.6093880637968458

minimum gb energy = 1.3328067147507765 eV
minimum distance =  2.21179554456238 Angstroms
sigma value = 311


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

Energy: 1.5595333148782484
Energy: 1.5172280882977336
Energy: 1.5812644558316147
Energy: 1.4198014841374262
Energy: 1.599668425856007
Energy: 1.551959466685504
Energy: 1.5317689970223904
Energy: 1.4678522097084243
Energy: 1.5339989837243728
Energy: 1.583337931564283
Energy: 1.5060811728875247
Energy: 1.4781654559658433
Energy: 1.4992191920654183
Energy: 1.5449380056795254
Energy: 1.5078453283717155
Energy: 1.5053301049567867
Energy: 1.494575608264494
Energy: 1.5171644337642483
Energy: 1.4391916783743994
Energy: 1.5212375351934164
Energy: 1.4271179453402434
Energy: 1.4555396161936003
Energy: 1.5645426360785266
Energy: 1.4815499053130259
Energy: 1.5827096751869534
Energy: 1.476903474271631
Energy: 1.5333085947372591
Energy: 1.5094325543439397
Energy: 1.5324589530155546
Energy: 1.4551949587853559
Energy: 1.4524407375785784
Energy: 1.4992580378453755
Energy: 1.4126796575167342
Energy: 1.6509306431507675
Energy: 1.432361015940365
Energy: 1.5601098293770086
Energy: 1.3750326503865236
Energy: 1.4065292521634407
Energy: 1.3731266423124129
Energy: 1.3825972726381994
Energy: 1.3936253812156472
Energy: 1.5014722776225384
Energy: 1.6260222256792614
Energy: 1.428928188970381
Energy: 1.5935422000915502
Energy: 1.4318190247358564
Energy: 1.5396667407570532
Energy: 1.5606794824172083
Energy: 1.548138242031851
Energy: 1.4947160648884212
Energy: 1.5097932287747347
Energy: 1.4435954941555253
Energy: 1.5499291464018523
Energy: 1.51771110848446
Energy: 1.4590878252429709
Energy: 1.5611581267281325
Energy: 1.6257472180758394
Energy: 1.5691004070851111
Energy: 1.5146453149044172
Energy: 1.5255410670460243
Energy: 1.407419338435399
Energy: 1.5954805280586315
Energy: 1.450097281280752
Energy: 1.485214577712264
Energy: 1.595593396133129
Energy: 1.5099593137634706
Energy: 1.5945059241774568
Energy: 1.517121264798961
Energy: 1.456732408085499
Energy: 1.4624181004677144
Energy: 1.5892873289914091
Energy: 1.5081803915816943
Energy: 1.5581267724700865
Energy: 1.4954099727861305
Energy: 1.4785935871712768
Energy: 1.6800655888923859
Energy: 1.4410311095437067
Energy: 1.4874918505995325
Energy: 1.38639113708074
Energy: 1.483721454119437
Energy: 1.4137386006472352
Energy: 1.4138431532565678
Energy: 1.435558772104027
Energy: 1.43195286956094
Energy: 1.5926764999916345
Energy: 1.4018029367874
Energy: 1.5847254236345367
Energy: 1.4629670192419633
Energy: 1.5121538427765506
Energy: 1.5843443381989946
Energy: 1.4518738588318305
Energy: 1.4689808859772808
Energy: 1.4991683655859596
Energy: 1.5883211578268799
Energy: 1.556660482107624
Energy: 1.5226411734459588
Energy: 1.5611490762639397
Energy: 1.5248464435107483
Energy: 1.4973571466649525
Energy: 1.5160017458986257
Energy: 1.612050920607683
Energy: 1.4682247704965705
Energy: 1.4201566763565883
Energy: 1.4841442077967804
Energy: 1.4131898686210376
Energy: 1.508245899808409
Energy: 1.5240066153379959
Energy: 1.4563090117773803
Energy: 1.4237526674900438
Energy: 1.4740275973125754
Energy: 1.471887254443067
Energy: 1.4706698679350423
Energy: 1.5821436798867385
Energy: 1.5270728417336557
Energy: 1.617375161699633
Energy: 1.5505619941080988
Energy: 1.46337548938566
Energy: 1.5652941039137287
Energy: 1.563030892194288
Energy: 1.4736778317054644
Energy: 1.392212968475765
Energy: 1.4350185959258428
Energy: 1.366353171150548
Energy: 1.471932810557788
Energy: 1.424736775235994
Energy: 1.4001979909250615
Energy: 1.5902899325081776
Energy: 1.4241178091123226
Energy: 1.6702802585317076
Energy: 1.4160578929763605
Energy: 1.4555881753171642
Energy: 1.5799163598354768
Energy: 1.3990390827440629
Energy: 1.4992848537037389
Energy: 1.5251744183659954
Energy: 1.6219086863534828
Energy: 1.5370778851047575
Energy: 1.5224773085779328
Energy: 1.5613631930427645
Energy: 1.5641211688192487
Energy: 1.491985448649193
Energy: 1.383260132245713
Energy: 1.6030569938784178
Energy: 1.389894925732619
Energy: 1.5062964299049297
Energy: 1.4905664303484771
Energy: 1.3737730596071625
Energy: 1.4740298916231616
Energy: 1.4413499600367103
Energy: 1.5649088438425207
Energy: 1.4031678778099408
Energy: 1.4473510608395461
Energy: 1.5371310403486562
Energy: 1.5241077261315277
Energy: 1.6036313135917022
Energy: 1.5135466115027627
Energy: 1.563675688876742
Energy: 1.6194922544495614
Energy: 1.4478069411966223
Energy: 1.5592469492725407
Energy: 1.6973039454332346
Energy: 1.5575718540826844
Energy: 1.3981034917840784
Energy: 1.5286038908684945
Energy: 1.3568933023250545
Energy: 1.4382376179107283
Energy: 1.5521794031442395
Energy: 1.4746361058810709
Energy: 1.5907462878604377
Energy: 1.457646845217262
Energy: 1.6548289655961457
Energy: 1.4358397591460228
Energy: 1.441821818521059
Energy: 1.5644770944371527
Energy: 1.4649373737286324
Energy: 1.496102329667978
Energy: 1.5801117270570935
Energy: 1.6016252426708881
Energy: 1.5780461386672042
Energy: 1.5105280771778065
Energy: 1.5630673441197784
Energy: 1.4933825258165871
Energy: 1.4823458836288235
Energy: 1.4033279759323034
Energy: 1.6525312841046311
Energy: 1.4013636315749771
Energy: 1.480629647746148
Energy: 1.5086809320113228
Energy: 1.5059336467840596
Energy: 1.4925008073302994
Energy: 1.4450327059893076
Energy: 1.5214481409412355
Energy: 1.3997559012337835
Energy: 1.4315448447655177
Energy: 1.4670586487051605
Energy: 1.491034449012691
Energy: 1.5416340073622539
Energy: 1.4866844091676208
Energy: 1.553171645503665
Energy: 1.7154239968273985
Energy: 1.4676871120319819
Energy: 1.6705687586048563
Energy: 1.5041520929392462
Energy: 1.5704151619543572
Energy: 1.4945463268922576
Energy: 1.5495005904680257
Energy: 1.3783581742280706
Energy: 1.430651998979645
Energy: 1.5810592445156975
Energy: 1.4694277701545801
Energy: 1.7024151810876216
Energy: 1.4497675406592505
Energy: 1.5489007857982935
Energy: 1.4991212224560164
Energy: 1.4452758064836668
Energy: 1.556354135588896
Energy: 1.4205163346552563
Energy: 1.4713757155942673
Energy: 1.5978305270843136
Energy: 1.5020060071375798
Energy: 1.5647001273505559
Energy: 1.5137919899770882
Energy: 1.5265978227584582
Energy: 1.5418610695270958
Energy: 1.5139273849890982
Energy: 1.4481298094025914
Energy: 1.5173402993850242
Energy: 1.470364101777098
Energy: 1.4591867633783282
Energy: 1.5309355012957129
Energy: 1.5028731806766324
Energy: 1.5861538971817783
Energy: 1.3791331866879675
Energy: 1.618422238949903
Energy: 1.3767734315631142
Energy: 1.4838842327568533
Energy: 1.472772779625526
Energy: 1.4114965108363853
Energy: 1.642311384187912
Energy: 1.4665573923990236
Energy: 1.4931566877116562
Energy: 1.4344280093454351
Energy: 1.4599716751883822
Energy: 1.6158252523210757
Energy: 1.438929134595164
Energy: 1.5478187729193578
Energy: 1.4607400660826548
Energy: 1.5555863743322786
Energy: 1.4701577842880098
Energy: 1.422245283615313
Energy: 1.5608851556700962
Energy: 1.4298718236930315

minimum gb energy = 1.3568933023250545 eV
minimum distance =  2.24263483015498 Angstroms
sigma value = 39


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

Energy: 1.4145946539122318
Energy: 1.4242578449633527
Energy: 1.833992014423578
Energy: 1.6566569039507306
Energy: 1.3500334006914274
Energy: 1.7523455585894938
Energy: 1.424389118023178
Energy: 1.3745155948795862
Energy: 1.3583623924132913
Energy: 1.5410551050337105
Energy: 1.4499291892501696
Energy: 1.4575324733675161
Energy: 1.4409086638708664
Energy: 1.541938547462508
Energy: 1.5836884132703741
Energy: 1.4534379934519697
Energy: 1.3842128186158495
Energy: 1.4491944542526187
Energy: 1.3973543849510353
Energy: 1.4176209392867303
Energy: 1.4665945108915885
Energy: 1.4715787595368321
Energy: 1.4153655034978319
Energy: 1.5947367748721595
Energy: 1.3692907698200896
Energy: 1.5049351737614536
Energy: 1.540517465608531
Energy: 1.4961245494164386
Energy: 1.396771609415159
Energy: 1.3580217459185608
Energy: 1.5020178478810364
Energy: 1.4683541561121856
Energy: 1.4343952303365963
Energy: 1.3508992260634742
Energy: 1.5472212513947816
Energy: 1.354181111273293
Energy: 1.3803988647851262
Energy: 1.377524926733639
Energy: 1.3409203235611988
Energy: 1.4444451954950153
Energy: 1.442565610924308
Energy: 1.4446750857460167
Energy: 1.6187271632457458
Energy: 1.2444184829751002
Energy: 1.3703008407970065
Energy: 1.8464878796982267
Energy: 1.4268797804538307
Energy: 1.4245650238112675
Energy: 1.4888005094246746
Energy: 1.354185384738464
Energy: 1.4463085533462312
Energy: 1.784868718328473
Energy: 1.358114159787311
Energy: 1.46943272968286
Energy: 1.421849655690169
Energy: 1.490899290905687
Energy: 1.3542411185365923
Energy: 1.446406617978184
Energy: 1.7054399588081446
Energy: 1.2712616656263125
Energy: 1.3609400859747236
Energy: 1.537218906098684
Energy: 1.4679919763789626
Energy: 1.6711449287437619
Energy: 1.231839869261032
Energy: 1.5409133484946407
Energy: 1.5052888827705717
Energy: 1.3992439921885202
Energy: 1.491453530947155
Energy: 1.4687229781225681
Energy: 1.4336131570507684
Energy: 1.4846073261381196
Energy: 1.4498168776123452
Energy: 1.3261261428247764
Energy: 1.4104393943485352
Energy: 1.4645881624774335
Energy: 1.5289870058621988
Energy: 1.4132009703466117
Energy: 1.384749099319986
Energy: 1.3524184349318003
Energy: 1.3719065793271885
Energy: 1.4699751379288495
Energy: 1.4475954822919679
Energy: 1.599642907838035
Energy: 1.3536981237051036
Energy: 1.4582326370880363
Energy: 1.4709902212021468
Energy: 1.448104970035236
Energy: 1.39786340097123
Energy: 1.5298113799749937
Energy: 1.490596656944282
Energy: 1.6880524228514493
Energy: 1.359128558482198
Energy: 1.3797581723950836
Energy: 1.7837331318929743
Energy: 1.424447115474252
Energy: 1.3964989936890844
Energy: 1.48819162407123
Energy: 1.3529842573516024
Energy: 1.358318600115936
Energy: 1.3686050803777359
Energy: 1.5336766455380344
Energy: 1.3748219376759934
Energy: 1.3923644537638238
Energy: 1.487744720399798
Energy: 1.4130020077024203
Energy: 1.4805037005960844
Energy: 1.780438432424069
Energy: 1.4173795484963665
Energy: 1.3505748965262852
Energy: 1.6052065704717047
Energy: 1.4236312695904576
Energy: 1.4250872043929348
Energy: 1.3584795789543014
Energy: 1.5409325128591185
Energy: 1.4498817016258891
Energy: 1.4574791247157148
Energy: 1.4408793670274271
Energy: 1.5453511570703604
Energy: 1.4242888626495351
Energy: 1.452510997560377
Energy: 1.3844441547068456
Energy: 1.4493890107183824
Energy: 1.5131974565141304
Energy: 1.41723303174573
Energy: 1.463415701286055
Energy: 1.4713051526920968
Energy: 1.3060629835588133
Energy: 1.5945893358279846
Energy: 1.3695610081241156
Energy: 1.5284298670492813
Energy: 1.540512982401056
Energy: 1.4963231579547116
Energy: 1.3971399116781449
Energy: 1.35872366840235
Energy: 1.5006011651070588
Energy: 1.4485288733271322
Energy: 1.4344232476304248
Energy: 1.350418406461415
Energy: 1.54713527948081
Energy: 1.3525061828810352
Energy: 1.3805108994282784
Energy: 1.3777639477437316
Energy: 1.3412053346759027
Energy: 1.4444518943036264
Energy: 1.3923960820681422
Energy: 1.4434539865017115
Energy: 1.6712231044560721
Energy: 1.335601885167095
Energy: 1.371827331655852
Energy: 1.846610136030233
Energy: 1.4272363671083288
Energy: 1.423782366056259
Energy: 1.4889058137083797
Energy: 1.3541055943680298
Energy: 1.445781460038537
Energy: 1.7857284984576716
Energy: 1.3581338625228443
Energy: 1.4691324433847928
Energy: 1.5303202569200278
Energy: 1.4679603082298132
Energy: 1.3543220940179086
Energy: 1.446507285843261
Energy: 1.5457449459897574
Energy: 1.2721347496263973
Energy: 1.4426212130452511
Energy: 1.4222074087369596
Energy: 1.4680049960259436
Energy: 1.6710156416675397
Energy: 1.2320329424038972
Energy: 1.540720523100976
Energy: 1.5071043046399706
Energy: 1.3996274830904092
Energy: 1.4908393875338157
Energy: 1.4685442864023044
Energy: 1.4711727111897723
Energy: 1.4297153010942047
Energy: 1.449710404013607
Energy: 1.326027857813609
Energy: 1.410177796273802
Energy: 1.3780418664786716
Energy: 1.5286926547309505
Energy: 1.4526738545886682
Energy: 1.3851848931825816
Energy: 1.3522772801099474
Energy: 1.3718739047448099
Energy: 1.4261932364573942
Energy: 1.326942576842135
Energy: 1.5313195242126303
Energy: 1.3538300126746576
Energy: 1.4584959986739379
Energy: 1.470882342424517
Energy: 1.4485555652585351
Energy: 1.4482344839888446
Energy: 1.5300957606086345
Energy: 1.4679744461771884
Energy: 1.6879456988672847
Energy: 1.3604564566359127
Energy: 1.3797106090340614
Energy: 1.784944955027366
Energy: 1.4243725869462551
Energy: 1.3964969259822158
Energy: 1.4873860534629775
Energy: 1.3525778983749766
Energy: 1.3583031472926266
Energy: 1.3688106401062718
Energy: 1.3392887004008678
Energy: 1.374525198947194
Energy: 1.3923780607379044
Energy: 1.5302150098615859

minimum gb energy = 1.231839869261032 eV
minimum distance =  2.29060063670154 Angstroms
sigma value = 21


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

Energy: 1.8570873632921783
Energy: 1.6951470841537175
Energy: 1.7298872499780125
Energy: 1.9730150504933317
Energy: 1.526742405300214
Energy: 1.4866082674264773
Energy: 1.7550057934433132
Energy: 1.514601512614363
Energy: 1.496814458244803
Energy: 1.752567974560074
Energy: 1.3593760741978356
Energy: 1.671024541324332
Energy: 1.63181689891139
Energy: 1.484037691159327
Energy: 1.519776866147164
Energy: 1.460648112664553
Energy: 1.5564921754341488
Energy: 1.491211383551835
Energy: 1.588278559179767
Energy: 1.5781760462172416
Energy: 1.4578912527534778
Energy: 1.7474384514557688
Energy: 1.548772542861858
Energy: 1.6298530410154957
Energy: 1.3748733744579973
Energy: 1.5851052702936566
Energy: 1.5631066157481108
Energy: 1.3901975958396842
Energy: 1.4331591229374254
Energy: 1.4912592562451796
Energy: 1.4910184856461481
Energy: 1.3479057938294363
Energy: 1.5815158857768399
Energy: 1.497907507939846
Energy: 1.5034404538768174
Energy: 1.4369728189014486
Energy: 1.471946441566054
Energy: 1.6825347829123076
Energy: 1.414457668413435
Energy: 1.6030621265893736
Energy: 1.5094567195427135
Energy: 1.3869274257469297
Energy: 1.647534296479434
Energy: 1.4354727872940494
Energy: 1.5210399237639716
Energy: 1.4953683660093064
Energy: 1.4588693248757745
Energy: 1.544184955050479
Energy: 1.2766870951803657
Energy: 1.5874945437857948
Energy: 1.3669966981610553
Energy: 1.3954224493565848
Energy: 1.6495300831921447
Energy: 1.5044375677662485
Energy: 1.4956202454338272
Energy: 1.3954548021519517
Energy: 1.408696533196907
Energy: 1.485015525020143
Energy: 1.748074579151028
Energy: 1.6283282261728336
Energy: 1.5590387320311876
Energy: 1.7518016648028194
Energy: 1.3480223381489813
Energy: 1.671057962475157
Energy: 1.5937183722220303
Energy: 1.5912036418038296
Energy: 1.7248488660721195
Energy: 1.5449386030962644
Energy: 1.5358755039746386
Energy: 1.6454965264547048
Energy: 1.484808712620082
Energy: 1.734988289348201
Energy: 1.3136862174450292
Energy: 1.6507847389293433
Energy: 1.495584065819005
Energy: 1.5603774712291396
Energy: 1.6140036785250989
Energy: 1.3788867550698414
Energy: 1.413771138419444
Energy: 1.5683222201795435
Energy: 1.6879575133516025
Energy: 1.7520714007329556
Energy: 1.7214283470926643
Energy: 1.4912672141755703
Energy: 1.6462978336087917
Energy: 1.5362280215750848
Energy: 1.6551790245728317
Energy: 1.7198528880161106
Energy: 1.4722512932325629
Energy: 1.6408262209670867
Energy: 1.535986976290475
Energy: 1.6651864250600934
Energy: 1.6229071538703426
Energy: 1.4685143633999942
Energy: 1.4570813561010583
Energy: 1.6146102207133237
Energy: 1.7147378493040075
Energy: 1.623211521059146
Energy: 1.6568521934636324
Energy: 1.4061691086942678
Energy: 1.5469923834402943
Energy: 1.724317626096886
Energy: 1.8161558497836694
Energy: 1.6375373971068763
Energy: 1.6074302013640758
Energy: 1.6750867163145113
Energy: 1.5118298502390182
Energy: 1.4663470079083207
Energy: 1.503157161091473
Energy: 1.5518858944996918
Energy: 1.5802714041080024
Energy: 1.6678052591691048
Energy: 1.5275889895412131
Energy: 1.4538440960611674
Energy: 1.4884049699951254
Energy: 1.5493935609108074
Energy: 1.3502912648332737
Energy: 1.5495004329988245
Energy: 1.4637028356696684
Energy: 1.375655685960493
Energy: 1.4424775191734172
Energy: 1.664960803926051
Energy: 1.5781634622037504
Energy: 1.7858419132454102
Energy: 1.6957473931406246
Energy: 1.435389828548899
Energy: 1.5871506947919014
Energy: 1.4810076551440725
Energy: 1.5225809347748254
Energy: 1.498888005706432
Energy: 1.4639083331714844
Energy: 1.5013144010507709
Energy: 1.4160119107525553
Energy: 1.4781732104895218
Energy: 1.3606091607433168
Energy: 1.4765999581392961
Energy: 1.4457290636162592
Energy: 1.513786309715691
Energy: 1.4773631064049872
Energy: 1.4527631568367658
Energy: 1.4078343132272981
Energy: 1.4775406576271302
Energy: 1.7285959247352165
Energy: 1.4279849678779597
Energy: 1.758325260242517
Energy: 1.6142576377892912
Energy: 1.677813237292004
Energy: 1.4898051371827004
Energy: 1.4955011995259742
Energy: 1.6755523386527533
Energy: 1.4406047193161735
Energy: 1.5736059325601586
Energy: 1.5554275175973669
Energy: 1.4459973462684683
Energy: 1.718851515311583
Energy: 1.6861131134214566
Energy: 1.67938957089033
Energy: 1.6417160316405184
Energy: 1.5877474550569532
Energy: 1.66517169760626
Energy: 1.486333079361097
Energy: 1.561147385040327
Energy: 1.7261127137238717
Energy: 1.8013574653846742
Energy: 1.8826291934178219
Energy: 1.7052912530792184
Energy: 1.7731139658388786
Energy: 1.7308647773194183
Energy: 1.6430497356961486
Energy: 1.7073362668310943
Energy: 1.729289774136418
Energy: 1.797051950652323
Energy: 1.6238155154319847
Energy: 1.6570890409687227
Energy: 1.4733512872728691

minimum gb energy = 1.2766870951803657 eV
minimum distance =  2.18868296668673 Angstroms
sigma value = 113


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

Energy: 1.6651393333591635
Energy: 1.8463357601380184
Energy: 1.8119195201899612
Energy: 1.754842195722829
Energy: 1.6678044294480245
Energy: 1.6206566977112493
Energy: 1.8449879521906534
Energy: 1.7970358089119491
Energy: 1.7020845150294517
Energy: 1.722361876279065
Energy: 1.6323560657216558
Energy: 1.7380682502185514
Energy: 1.6233815118171184
Energy: 1.7208424607446315
Energy: 1.7057454253339324
Energy: 1.6117846538619272
Energy: 1.607923178143521
Energy: 1.7356542775800903
Energy: 1.753536995894715
Energy: 1.6847222908131085
Energy: 1.6347832368962203
Energy: 1.7083318734360535
Energy: 1.7678530797379406
Energy: 1.643728645055478
Energy: 1.6791022110244394
Energy: 1.7358571442050081
Energy: 1.6429484791220659
Energy: 1.5611502034538298
Energy: 1.6477121148744225
Energy: 1.6233571600887584
Energy: 1.678979581700125
Energy: 1.3926400923983293
Energy: 1.278297823999394
Energy: 1.7382164298188485
Energy: 1.5188220487532473
Energy: 1.4716580454997412
Energy: 1.6484990857680062
Energy: 1.6456202284861363
Energy: 1.3894856256103136
Energy: 1.5897371204555018
Energy: 1.6627335083867463
Energy: 1.6893107620889674
Energy: 1.789935072722085
Energy: 1.5520014040529098
Energy: 1.8036752151538398
Energy: 1.5169223103197225
Energy: 1.6223985506270495
Energy: 1.7014266520718597
Energy: 1.6546873796192787
Energy: 1.6718441712415355
Energy: 1.2759844006055783
Energy: 1.5139635375882388
Energy: 1.7225359784353922
Energy: 1.7183652326990237
Energy: 1.6725428135409504
Energy: 1.5082181927585365
Energy: 1.5368169269260021
Energy: 1.6963598111376335
Energy: 1.6245049397681928
Energy: 1.528514728431162
Energy: 1.559221904412397
Energy: 1.704889520309644
Energy: 1.6081473758695422
Energy: 1.5931873393437737
Energy: 1.6477173017084312
Energy: 1.581308951845313
Energy: 1.315991825679324
Energy: 1.3610799946951717
Energy: 1.3998818879259738
Energy: 1.4358071082386041
Energy: 1.5953956771071438
Energy: 1.4352529773346387
Energy: 1.6821678145444179
Energy: 1.3391772433855593
Energy: 1.4409661836839123
Energy: 1.6548762467058704
Energy: 1.3955247540309341
Energy: 1.7668033572478665
Energy: 1.8208023593431006
Energy: 1.7118645983406389
Energy: 1.5147760602573426
Energy: 1.6302268539653104
Energy: 1.61597759471361
Energy: 1.7286225797010741
Energy: 1.5544168713868571
Energy: 1.2884632075639297
Energy: 1.4655515608426442
Energy: 1.5611495164324818
Energy: 1.750561812504952
Energy: 1.6231734887545413
Energy: 1.416951489841333
Energy: 1.5269379909843661
Energy: 1.4818070390479512
Energy: 1.4491325612271178
Energy: 1.3760208318086677
Energy: 1.4916817428483253
Energy: 1.523746486474289
Energy: 1.568147584748624
Energy: 1.5299538615849138
Energy: 1.61344419530664
Energy: 1.550330148152559
Energy: 1.5941528453764464
Energy: 1.5655044465509103
Energy: 1.6090762043125952
Energy: 1.5606914948087607
Energy: 1.6498630871369635
Energy: 1.5230675368987152
Energy: 1.6788601161817918
Energy: 1.6349437615083533
Energy: 1.597574977998659
Energy: 1.7314804625041709
Energy: 1.4140060628861577
Energy: 1.7661273559882493
Energy: 1.5771670155586464
Energy: 1.6822334275496063
Energy: 1.6915097977839861
Energy: 1.6087878033041902
Energy: 1.6575453833365126
Energy: 1.5821722860994305
Energy: 1.5627833455008515
Energy: 1.4733389081733694
Energy: 1.6009573977434637
Energy: 1.623869355581489
Energy: 1.6628947545812784
Energy: 1.610738511103642
Energy: 1.499871483320011
Energy: 1.6765302816542134
Energy: 1.5900420557615786
Energy: 1.7053281300471035
Energy: 1.5266785279149468
Energy: 1.541733833669216
Energy: 1.6746253881136586
Energy: 1.6191011676292963
Energy: 1.697457561341201
Energy: 1.7065647126634302
Energy: 1.6642025972715286
Energy: 1.7774254919563979
Energy: 1.6654958261613775
Energy: 1.7081958882704964
Energy: 1.7114992062663021
Energy: 1.708937278113273
Energy: 1.635279701497669
Energy: 1.4634038233268887
Energy: 1.8419079532392495
Energy: 1.6989432511191342
Energy: 1.6541368392279998
Energy: 1.7614779897357837
Energy: 1.8247971078726042
Energy: 1.4956749893951196
Energy: 1.4818063958108467
Energy: 1.7567731087336078
Energy: 1.629609397637316
Energy: 1.6456092699523515
Energy: 1.7485638488363624
Energy: 1.666212242820858
Energy: 1.747489478815107
Energy: 1.8010212007068946
Energy: 1.772006783335676
Energy: 1.6718052900623388
Energy: 1.6707996346681346
Energy: 1.8502166001172182
Energy: 1.8111245841543726
Energy: 1.7655507329810542
Energy: 1.722723302633049
Energy: 1.5312040188223044
Energy: 1.6976387013746599
Energy: 1.6245994342990897
Energy: 1.7233495723459464
Energy: 1.612319577194407
Energy: 1.613664554937587
Energy: 1.6088138845756053
Energy: 1.7649225545167964
Energy: 1.6551180194928339
Energy: 1.6847065750740442
Energy: 1.6492482388306389
Energy: 1.7010538516803777
Energy: 1.706540620943487
Energy: 1.6461420475037405
Energy: 1.7051490496625468
Energy: 1.7298564849121068
Energy: 1.6430757157686724
Energy: 1.6598459008674145
Energy: 1.6716432613193135
Energy: 1.62464846609582
Energy: 1.7087994026946725
Energy: 1.400430597218712
Energy: 1.394455142739733
Energy: 1.7790371338640312
Energy: 1.5614903968502363
Energy: 1.4700830941483436
Energy: 1.6427181970407285
Energy: 1.6264679032777938
Energy: 1.699693868535459
Energy: 1.565771037754019
Energy: 1.6570099993901672
Energy: 1.6430913723460068
Energy: 1.4611196433034395
Energy: 1.4716638094282435
Energy: 1.816766788685474
Energy: 1.5525310589815677
Energy: 1.6099405228495038
Energy: 1.499042604098956
Energy: 1.4684308221883673
Energy: 1.6375210294748352
Energy: 1.3558611437786212
Energy: 1.3915181324332795
Energy: 1.7422381272420648
Energy: 1.7167974873203535
Energy: 1.5499617671223993
Energy: 1.5085670806248006
Energy: 1.6586130972785031
Energy: 1.7237253533098178
Energy: 1.6257354061983038
Energy: 1.5700179807787806
Energy: 1.5279220739724106
Energy: 1.7076046322396439
Energy: 1.6324563768477616
Energy: 1.662456178033849
Energy: 1.6398493519548871
Energy: 1.5695611095112156
Energy: 1.3043070365995357
Energy: 1.3589768987423834
Energy: 1.5539786371316986
Energy: 1.4356279028702121
Energy: 1.5943925904910015
Energy: 1.6084456927485693
Energy: 1.6137599982957938
Energy: 1.432966557371759
Energy: 1.3033985507691197
Energy: 1.50657379438625
Energy: 1.3978850083097736
Energy: 1.7288819904713268
Energy: 1.807536261241186
Energy: 1.7123447617103509
Energy: 1.5128052859444983
Energy: 1.6391332829449918
Energy: 1.6299840862379287
Energy: 1.7269503980601588
Energy: 1.4755452739746417
Energy: 1.282477734677627
Energy: 1.4592612844210109
Energy: 1.5562126838355546
Energy: 1.750712820681089
Energy: 1.5324844357665732
Energy: 1.374850461216464
Energy: 1.5271929132965483
Energy: 1.5446217317792987
Energy: 1.6547824227527583
Energy: 1.5820958005870935
Energy: 1.634380561831902
Energy: 1.7500110010702972
Energy: 1.596546465115565
Energy: 1.5284157375998721
Energy: 1.686995196186605
Energy: 1.6004781306877591
Energy: 1.4496458674724322
Energy: 1.5029928010562157
Energy: 1.6679694146173192
Energy: 1.6282667539498243
Energy: 1.6511752230475245
Energy: 1.4600091181698098
Energy: 1.7299676436353095
Energy: 1.4548738934556977
Energy: 1.2854364745046147
Energy: 1.603371034836523
Energy: 1.4430975152955188
Energy: 1.765069101569132
Energy: 1.6625541742099057
Energy: 1.696711142076215
Energy: 1.6904343898995102
Energy: 1.6553119667287586
Energy: 1.562270887234349
Energy: 1.5669614305842683
Energy: 1.5690364963144614
Energy: 1.496467529651696
Energy: 1.5872805781142283
Energy: 1.6215477708981496
Energy: 1.7625773563456621
Energy: 1.6782747468755186
Energy: 1.5875811193478824
Energy: 1.7174610157548318
Energy: 1.5109724470750578
Energy: 1.6460368139344363
Energy: 1.5178512744111732
Energy: 1.5878041165892622
Energy: 1.5828874623062459
Energy: 1.637585123021945
Energy: 1.6349969448019697
Energy: 1.7277494342843578
Energy: 1.679040568794947
Energy: 1.775864128712576
Energy: 1.6722957216020593
Energy: 1.6605365322812968
Energy: 1.8340701204241807
Energy: 1.7025527107980218
Energy: 1.5594945586053857
Energy: 1.4506065637559231
Energy: 1.7223728154112428
Energy: 1.6982805238583512
Energy: 1.6445809277218417
Energy: 1.7224605086488642
Energy: 1.7225321028455285
Energy: 1.6859243800327983
Energy: 1.6140700340538259
Energy: 1.7601880580716986
Energy: 1.7106953582421893
Energy: 1.6504560148692793
Energy: 1.7341252772409415
Energy: 1.6583441867259325
Energy: 1.7049223480235418
Energy: 1.7560214472054074
Energy: 1.6471655102045872
Energy: 1.6622623923602042
Energy: 1.6635942733913407
Energy: 1.7921815398320808

minimum gb energy = 1.2759844006055783 eV
minimum distance =  2.20977311264464 Angstroms
sigma value = 365


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

Energy: 1.4719463287922379
Energy: 1.2024665705230535
Energy: 1.3452910296543252
Energy: 1.2011920963198321
Energy: 1.3393172892532106
Energy: 1.3438798343893177
Energy: 1.2010503248522912
Energy: 1.3618596483410728
Energy: 1.7604186799021486
Energy: 1.3940484591577846
Energy: 1.3934296653502118
Energy: 1.3940842561922773
Energy: 1.3939288486089036
Energy: 1.5959936141439157
Energy: 1.4286424311614958
Energy: 1.568851334471394
Energy: 1.3958659986686903
Energy: 1.393372902527968
Energy: 1.3933711714433568
Energy: 1.3947860312040727
Energy: 1.4001103179210863
Energy: 1.4288853242689736
Energy: 1.5700871898908308
Energy: 1.3956849484463492
Energy: 1.2011950331954917
Energy: 1.3935336281822115
Energy: 1.394288547683064
Energy: 1.2019656511610382
Energy: 1.3614818860053906
Energy: 1.5958261398626306
Energy: 1.361646281699264
Energy: 1.7235047708916464
Energy: 1.3932155049600545
Energy: 1.361403639805792
Energy: 1.5960516821612931
Energy: 1.4601898069132173
Energy: 1.3842890318227454
Energy: 1.3456669312350589
Energy: 1.2009765321843198
Energy: 1.3398942179617495
Energy: 1.344113767141286
Energy: 1.2012313028931012
Energy: 1.4298418675925493
Energy: 1.761150703638596
Energy: 1.396089083088402
Energy: 1.3954693144627377
Energy: 1.3950526744282299
Energy: 1.3969442381045507
Energy: 1.5960284746823108
Energy: 1.4289317798593026
Energy: 1.7614530102709018
Energy: 1.3969375242617723
Energy: 1.3948725689391057
Energy: 1.3941760670067123
Energy: 1.395579701228051
Energy: 1.7612057919388306
Energy: 1.4615755121676595
Energy: 1.5693934190030931
Energy: 1.3460580632011176
Energy: 1.2013655916752597
Energy: 1.340653792245065
Energy: 1.344797074044365
Energy: 1.224450204788141
Energy: 1.361225611429051
Energy: 1.744484638950557
Energy: 1.3623952610164163
Energy: 1.7246417274860129
Energy: 1.7229701991532669
Energy: 1.3617287277791077
Energy: 1.5966105213047002
Energy: 1.4614619526108736
Energy: 1.3847711233249527
Energy: 1.3463696639347131
Energy: 1.2008558460370138
Energy: 1.3412723324596998
Energy: 1.3451778958924028
Energy: 1.2238376921776979
Energy: 1.4295079648245808
Energy: 1.5608172500882171
Energy: 1.395936398933145
Energy: 1.3941772667770207
Energy: 1.394113139129401
Energy: 1.3953395140037295
Energy: 1.7612478301406325
Energy: 1.4299865493857147
Energy: 1.759831717311636
Energy: 1.3940610272527691
Energy: 1.3955223078152472
Energy: 1.3955517090311826
Energy: 1.3970932496656496
Energy: 1.5957113902537023
Energy: 1.4605748677284924
Energy: 1.595936386669519
Energy: 1.345380390061931
Energy: 1.2010282506201366
Energy: 1.339537028436122
Energy: 1.344095721852428
Energy: 1.201332620995588
Energy: 1.361854873658476
Energy: 1.6145579139371753
Energy: 1.3612809119573848
Energy: 1.3595835282906754
Energy: 1.3930659143045838
Energy: 1.3941250440118014
Energy: 1.5954673265324186
Energy: 1.4286238440064767
Energy: 1.5613153628957799
Energy: 1.3954077265381142
Energy: 1.393451706565918
Energy: 1.3932734909737898
Energy: 1.3953907376245276
Energy: 1.198914928931236
Energy: 1.4286757697050987
Energy: 1.5613784477028103
Energy: 1.3958709637396138
Energy: 1.3932514710841781
Energy: 1.3930592049863868
Energy: 1.3944479516801565
Energy: 1.2011412002355355
Energy: 1.3617833397541814
Energy: 1.6144843657357106
Energy: 1.393994160925129
Energy: 1.3931374927640026
Energy: 1.3935138840326626
Energy: 1.393950733399108
Energy: 1.5953490239390846
Energy: 1.4605312665694676
Energy: 1.595367732877626
Energy: 1.3452116687627387
Energy: 1.200892430390959
Energy: 1.3394641221167782
Energy: 1.3439901355568178
Energy: 1.2018520922472047
Energy: 1.4306139309428356
Energy: 1.6145307819948234
Energy: 1.3942851996157766
Energy: 1.3958469603601285
Energy: 1.3938900216744488
Energy: 1.3938869866365207
Energy: 1.6139458332492362

minimum gb energy = 1.198914928931236 eV
minimum distance =  2.25060314807039 Angstroms
sigma value = 23