Model name: model_name=MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917568326
cohesive_energy=4.450349978305744
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.022214331495010682
Energy: 0.5647245763805099
Energy: 0.88294808198759
Energy: 0.5646493086280868
Energy: 0.022214331495010682
Energy: 0.5647245763805099
Energy: 0.31338112082027836
Energy: 0.5371730215627646
Energy: 0.022506016926164663
Energy: 0.31690487887678787
Energy: 0.022567617268568603
Energy: 0.5371730215627646
Energy: 0.022506016926164663
Energy: 0.3169048788741492
Energy: 0.022214331495010682
Energy: 0.5647245763805099
Energy: 0.88294808198759
Energy: 0.5646493086280868
Energy: 0.022214331495010682
Energy: 0.5647245763805099
Energy: 0.31338112082027836
Energy: 0.5371730215627646
Energy: 0.022506016926164663
Energy: 0.31690487887678787
Energy: 0.022567617268568603
Energy: 0.5371730215627646
Energy: 0.022506016923526082
Energy: 0.3169048788741492
Energy: 0.022214331495010682
Energy: 0.5647245763805099
Energy: 0.3133811208229169
Energy: 0.5646493086280868
Energy: 0.022214331495010682
Energy: 0.5647245763805099
Energy: 0.31338112082027836
Energy: 0.5371730215627646
Energy: 0.022506016926164663
Energy: 0.31690487887678787
Energy: 0.022567617268568603
Energy: 0.5371730215627646
Energy: 0.022506016923526082
Energy: 0.3169048788741492

minimum gb energy = 0.022214331495010682 eV
minimum distance =  2.46952328794439 Angstroms
sigma value = 5


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

Energy: 1.4941553670562606
Energy: 1.4414100856868188
Energy: 1.4625106134197983
Energy: 1.429132175827242
Energy: 1.4941553670498136
Energy: 1.4414100856835956
Energy: 1.4502787150937557
Energy: 1.3891167831261488
Energy: 1.3940634101103841
Energy: 1.5042811357523878
Energy: 1.417392152891746
Energy: 1.3891167831197015
Energy: 1.394063410103937
Energy: 1.5042811357556114
Energy: 1.3824270438565847
Energy: 1.3779272635807018
Energy: 1.5216371500572086
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Energy: 1.3824270438565847
Energy: 1.3779272635807018
Energy: 1.521637150053985
Energy: 1.4756541544082589
Energy: 1.450969251583985
Energy: 1.535108075087958
Energy: 1.405917233281386
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Energy: 1.4509692515807615
Energy: 1.5351080750911228
Energy: 1.4078711245781397
Energy: 1.3570865354225743
Energy: 1.4721637606266331
Energy: 1.4382203865785472
Energy: 1.407871124581363
Energy: 1.357086535425798
Energy: 1.4721637606266331
Energy: 1.4128798474682596
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Energy: 1.432477248113275
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Energy: 1.3984902122076415
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Energy: 1.4322730749192933
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Energy: 1.4453008948959807
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Energy: 1.4419985265483848
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Energy: 1.3898372367591072
Energy: 1.476671250078251
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Energy: 1.4161892783288617
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Energy: 1.3854749681944292
Energy: 1.3733126770888706
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Energy: 1.4027508377333722
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Energy: 1.3878891566556162
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Energy: 1.4762382880900726
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Energy: 1.3878891566523928
Energy: 1.4493819242255215
Energy: 1.479034257086263
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Energy: 1.4787058728133815
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Energy: 1.391031153455336
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Energy: 1.4530400405455022
Energy: 1.4962476752639895
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Energy: 1.5229855644545944
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Energy: 1.3984536205439053
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Energy: 1.601387302240842
Energy: 1.3673382173104962
Energy: 1.3984536205406817
Energy: 1.4475470390634937
Energy: 1.560002844162703
Energy: 1.4145788940120703
Energy: 1.368776427208599
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Energy: 1.4357743326071855
Energy: 1.4145788940152937
Energy: 1.3687764272021519
Energy: 1.6184725355136338
Energy: 1.3830740599841291
Energy: 1.3816823138682859
Energy: 1.4683484880363888
Energy: 1.4352700339679816
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Energy: 1.4135521922425385
Energy: 1.3733901636133288
Energy: 1.4076823230401374
Energy: 1.5523788121643909
Energy: 1.3814983838612516
Energy: 1.404049237225493
Energy: 1.4920601773882982
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Energy: 1.381498383858028
Energy: 1.404049237225493
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Energy: 1.4227788268548203
Energy: 1.5366102236701997
Energy: 1.4149046040140036
Energy: 1.41753387816713
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Energy: 1.5366102236637527
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Energy: 1.525747205577794
Energy: 1.4909593819729603
Energy: 1.4561393536874534
Energy: 1.4419496822175186
Energy: 1.5257472055714054
Energy: 1.490959381969737
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Energy: 1.467317861695038
Energy: 1.4386169688736579
Energy: 1.444084819981053
Energy: 1.3986583869494158
Energy: 1.4673178616885911
Energy: 1.4396274409947103
Energy: 1.3787085343234988
Energy: 1.5028733754059822
Energy: 1.4064602899866712
Energy: 1.4396274410011574
Energy: 1.3787085343299461
Energy: 1.502873375409206
Energy: 1.5507543770126053
Energy: 1.3984201435280297
Energy: 1.5208996538649429
Energy: 1.433360117188333
Energy: 1.5507543770158287
Energy: 1.3984201435280297
Energy: 1.5208996538584958
Energy: 1.4421939669596042
Energy: 1.43095813880557
Energy: 1.5109689598833551
Energy: 1.4617505385131644
Energy: 1.4421939669531572
Energy: 1.43095813880557
Energy: 1.5109689598801317
Energy: 1.3762126398927148
Energy: 1.390930097604361
Energy: 1.5041607145879736
Energy: 1.3972740461217525
Energy: 1.3762126398894916
Energy: 1.3909300976011376
Energy: 1.50416071458475
Energy: 1.3833126131456628
Energy: 1.4628236564228594
Energy: 1.5609526004904577
Energy: 1.4580953531888425
Energy: 1.3833126131488864
Energy: 1.4628236564196357
Energy: 1.560952600487234
Energy: 1.3623008674133288
Energy: 1.444093295551706
Energy: 1.5197468802659917
Energy: 1.3939638074324312
Energy: 1.3623008674101054
Energy: 1.4440932955484826
Energy: 1.5197468802659917

minimum gb energy = 1.3570865354225743 eV
minimum distance =  2.21585235904545 Angstroms
sigma value = 401


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

Energy: 1.4102649256246995
Energy: 1.507518813339263
Energy: 1.5303529979142492
Energy: 1.4867849813117011
Energy: 1.4102649256246995
Energy: 1.507518813335604
Energy: 1.5342943902571984
Energy: 1.3720384395959637
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Energy: 1.3669978586620104
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Energy: 1.4843386258908287
Energy: 1.4278467286743615
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Energy: 1.3759498985419902
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Energy: 1.4102649256246995
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Energy: 1.3720384395959637
Energy: 1.4769675330041099
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Energy: 1.3669978586620104
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Energy: 1.4469242400855218
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Energy: 1.4819459264261994
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Energy: 1.434189258973517
Energy: 1.4704883737595
Energy: 1.4583014708985114
Energy: 1.4335047450506573
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Energy: 1.4704883737631587
Energy: 1.346335553269275
Energy: 1.3873983324717583
Energy: 1.3759498985419902
Energy: 1.4605000361987972
Energy: 1.346335553269275
Energy: 1.3873983324717583
Energy: 1.3759498985419902
Energy: 1.3408520738940157
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Energy: 1.445723300079352
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Energy: 1.3450864489849943
Energy: 1.4038914353914334
Energy: 1.6196679762988537
Energy: 1.4421723479240274
Energy: 1.3450864489849943
Energy: 1.4038914353841156
Energy: 1.6196679762988537
Energy: 1.3730912023136965
Energy: 1.407883891373333
Energy: 1.4346365887299244
Energy: 1.3774167709766743
Energy: 1.3730912023136965
Energy: 1.4078838913769918
Energy: 1.434636588726265
Energy: 1.4375313784871102
Energy: 1.451335989414582
Energy: 1.4089730022240146
Energy: 1.3838316446838315
Energy: 1.4375313784871102
Energy: 1.451335989414582
Energy: 1.4089730022203555
Energy: 1.4469686005183628
Energy: 1.4551873672092481
Energy: 1.455067403968554
Energy: 1.4406144459842956
Energy: 1.4469686005183628
Energy: 1.4551873672092481
Energy: 1.455067403968554
Energy: 1.3771567566789669
Energy: 1.4205987214594853
Energy: 1.446092964628012
Energy: 1.4456566208484123
Energy: 1.377156756682626
Energy: 1.4205987214558262
Energy: 1.4460929646243528
Energy: 1.3679694168153371
Energy: 1.4471620764001591
Energy: 1.4511119559546517
Energy: 1.4973919050715805
Energy: 1.367969416818996
Energy: 1.4471620764001591
Energy: 1.451111955958311
Energy: 1.3591358807754024
Energy: 1.507518813339263
Energy: 1.534294390253539
Energy: 1.4867849813117011
Energy: 1.3591358807754024
Energy: 1.5075188133319448
Energy: 1.5342943902571984
Energy: 1.3720384395959637
Energy: 1.4769675330041099
Energy: 1.5605039317140221
Energy: 1.434740604308986
Energy: 1.3720384395959637
Energy: 1.4769675330041099
Energy: 1.5605039317140221

minimum gb energy = 1.3408520738940157 eV
minimum distance =  2.22222630654363 Angstroms
sigma value = 311


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

Energy: 1.5241615798346932
Energy: 1.4000919419685571
Energy: 1.5866190444055648
Energy: 1.4116598029135243
Energy: 1.5241615798342707
Energy: 1.4000919419677123
Energy: 1.5413890089756717
Energy: 1.5065567059507303
Energy: 1.4365208781029837
Energy: 1.5020225654800565
Energy: 1.4628895675203442
Energy: 1.5065567059494624
Energy: 1.4365208781034062
Energy: 1.5020225654809014
Energy: 1.4125242286454438
Energy: 1.4190541973987172
Energy: 1.591563902960083
Energy: 1.4184315461326646
Energy: 1.412524228647134
Energy: 1.4190541973982946
Energy: 1.6034591649277323
Energy: 1.4224280583750428
Energy: 1.3826498757843673
Energy: 1.5769445380320488
Energy: 1.377249475947267
Energy: 1.4224280583750428
Energy: 1.3826498757843673
Energy: 1.5769445380333167
Energy: 1.450776621796996
Energy: 1.4047447550826944
Energy: 1.6220329114855254
Energy: 1.3994814115407497
Energy: 1.4507766217974187
Energy: 1.4047447550856518
Energy: 1.6220329114846803
Energy: 1.4058800847218682
Energy: 1.4245487007150968
Energy: 1.5010195884616373
Energy: 1.4199809602472544
Energy: 1.4058800847218682
Energy: 1.4245487007159419
Energy: 1.5010195884624822
Energy: 1.413619183464161
Energy: 1.565205706329338
Energy: 1.4344903209640707
Energy: 1.3991693391408437
Energy: 1.4136191834620484
Energy: 1.5652057063314508
Energy: 1.4344903209640707
Energy: 1.3971467390337722
Energy: 1.3971464990531592
Energy: 1.6360015117233382
Energy: 1.4183929382276135
Energy: 1.397146739034195
Energy: 1.3971464990531592
Energy: 1.6360015117224933
Energy: 1.4235244380157426
Energy: 1.3693615437812143
Energy: 1.5313942253728128
Energy: 1.386576624803579
Energy: 1.42352443801532
Energy: 1.3693615437820208
Energy: 1.5313942253749253
Energy: 1.3893028982586395
Energy: 1.4102589865920192
Energy: 1.6111894279594017
Energy: 1.4466503653460474
Energy: 1.3893028982577944
Energy: 1.4102589865911745
Energy: 1.6111894279606693
Energy: 1.4980641979504865
Energy: 1.4025138050178212
Energy: 1.5224290625184025
Energy: 1.383198853013251
Energy: 1.4980641979504865
Energy: 1.4025138050186665
Energy: 1.5224290625184025
Energy: 1.490121797771218
Energy: 1.4401770856023526
Energy: 1.4859533068479127
Energy: 1.4444914626291565
Energy: 1.4901217977695278
Energy: 1.4401770856019298
Energy: 1.4859533068483353
Energy: 1.4540122858561357
Energy: 1.4520699442523874
Energy: 1.520671082727068
Energy: 1.3905807901665774
Energy: 1.454012285858248
Energy: 1.45206994425112
Energy: 1.5206710827266452
Energy: 1.3832596484575623
Energy: 1.4140141079934336
Energy: 1.5271765925459702
Energy: 1.4273687324401525
Energy: 1.3832596484562951
Energy: 1.4140141079921662
Energy: 1.527176592547238
Energy: 1.453428975671847
Energy: 1.390947543147059
Energy: 1.524735594752894
Energy: 1.4288635786106767
Energy: 1.4534289756710017
Energy: 1.3909475431479044
Energy: 1.5247355947520487
Energy: 1.4905334996674127
Energy: 1.446273044839562
Energy: 1.4884241910113638
Energy: 1.4209096928383071
Energy: 1.4905334996678352
Energy: 1.446273044841252
Energy: 1.4884241910096736
Energy: 1.464738803704487
Energy: 1.425869810631957
Energy: 1.5240912687915353
Energy: 1.4250656191698743
Energy: 1.4647388037057547
Energy: 1.4258698106306895
Energy: 1.5240912687902675
Energy: 1.4214783175412251
Energy: 1.5033369361240883
Energy: 1.6155818841244372
Energy: 1.414822030158535
Energy: 1.4214783175399577
Energy: 1.5033369361245108
Energy: 1.6155818841252823
Energy: 1.4150808783928432
Energy: 1.402772582314107
Energy: 1.5678633187943005
Energy: 1.428774236953198
Energy: 1.4150808783932658
Energy: 1.402772582314107
Energy: 1.5588233044796378
Energy: 1.397233943649578
Energy: 1.3864923329694103
Energy: 1.5658352146631223
Energy: 1.4061040724738463
Energy: 1.3972339436483103
Energy: 1.3864923329685654
Energy: 1.5658352146643901
Energy: 1.433494297639778
Energy: 1.4058231385517452
Energy: 1.5055171566741605
Energy: 1.4475872903598992
Energy: 1.4334942976393557
Energy: 1.4058231385504778
Energy: 1.5055171566720482
Energy: 1.445269242522228
Energy: 1.4284830077057458
Energy: 1.5091465672386024
Energy: 1.3790701035059834
Energy: 1.4452692425218052
Energy: 1.4284830077040558
Energy: 1.509146567239025
Energy: 1.428192819862365
Energy: 1.4307196829397795
Energy: 1.5357393845173546
Energy: 1.404158077970745
Energy: 1.4281928198627873
Energy: 1.430719682941047
Energy: 1.5357393845181995
Energy: 1.4378686668601155
Energy: 1.4483226689885074
Energy: 1.5446679967375503
Energy: 1.3912977387387762
Energy: 1.4378686668596932
Energy: 1.4483226689876623
Energy: 1.5446679967367054
Energy: 1.4128635862396481
Energy: 1.4336568914942118
Energy: 1.472794780119663
Energy: 1.3971621000527752
Energy: 1.4128635862388028
Energy: 1.4336568914946342
Energy: 1.4727947801200854
Energy: 1.47499256247281
Energy: 1.4691157655076126
Energy: 1.5032968008075756
Energy: 1.4302717064812565
Energy: 1.47499256247281
Energy: 1.4691157655076126
Energy: 1.503296800807998
Energy: 1.5292326621525278
Energy: 1.3916735641675724
Energy: 1.5427778525892084
Energy: 1.3875428591633086
Energy: 1.5292326621529502
Energy: 1.391673564166305
Energy: 1.555519394342133
Energy: 1.4909614698101228
Energy: 1.4846992390013565
Energy: 1.5028051343926618
Energy: 1.477323261509776
Energy: 1.4909614698084328
Energy: 1.4846992390013565
Energy: 1.502805134391817
Energy: 1.4081416762567864
Energy: 1.418180528300522
Energy: 1.5504660580418568
Energy: 1.4327642315498863
Energy: 1.4081416762567864
Energy: 1.4181805283017899
Energy: 1.5504660580418568
Energy: 1.413343915123944
Energy: 1.4014597251012002
Energy: 1.5365152265334256
Energy: 1.4028107454230243
Energy: 1.4133439151252116
Energy: 1.4014597251028902
Energy: 1.5365152265338484
Energy: 1.4131209104511449
Energy: 1.4044681761434166
Energy: 1.5984967838151845
Energy: 1.3992683240092587
Energy: 1.4131209104507223
Energy: 1.404468176142572
Energy: 1.5984967838147617
Energy: 1.4220875576583905
Energy: 1.3779504682767467
Energy: 1.5385931116131148
Energy: 1.443989431387059
Energy: 1.422087557658813
Energy: 1.3779504682763246
Energy: 1.5385931116114246
Energy: 1.454755780328812
Energy: 1.553240353582574
Energy: 1.4199875468065655
Energy: 1.4172997785056785
Energy: 1.454755780330502
Energy: 1.5532403535821517
Energy: 1.4199875468074101
Energy: 1.3984223699173899
Energy: 1.4393270449730007
Energy: 1.6122158736004002
Energy: 1.3892799683027448
Energy: 1.3984223699190799
Energy: 1.4393270449725784
Energy: 1.612215873599555
Energy: 1.4220126419669712
Energy: 1.428705215455208
Energy: 1.5587667236745886
Energy: 1.3847608155642355
Energy: 1.422012641966126
Energy: 1.428705215456053
Energy: 1.5587667236741658
Energy: 1.3891647359426085
Energy: 1.4100104152556876
Energy: 1.4966412436297745
Energy: 1.4885173718300497
Energy: 1.3891647359409183
Energy: 1.4100104152556876
Energy: 1.4966412436301966

minimum gb energy = 1.3693615437812143 eV
minimum distance =  2.23631927024655 Angstroms
sigma value = 39


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

Energy: 1.4129859530785247
Energy: 1.4062269859519936
Energy: 1.4088992144328338
Energy: 1.40605729975607
Energy: 1.4129859530745357
Energy: 1.4062269859534893
Energy: 1.4088992144333323
Energy: 1.3505742800529386
Energy: 1.386253860503409
Energy: 1.342287618234738
Energy: 1.3879544137238442
Energy: 1.3505742800504452
Energy: 1.386253860503409
Energy: 1.3422876182342394
Energy: 1.4131898618835748
Energy: 1.3169918391480695
Energy: 1.3699395400651444
Energy: 1.3953767471269698
Energy: 1.4131898618815804
Energy: 1.316991839146075
Energy: 1.3699395400651444
Energy: 1.397625073724909
Energy: 1.3858969312777407
Energy: 1.3425720077170316
Energy: 1.4016132960246241
Energy: 1.3976250737244102
Energy: 1.3858969312732532
Energy: 1.3425720077120449
Energy: 1.4505800593397624
Energy: 1.313945074000921
Energy: 1.574649053431411
Energy: 1.395458866166134
Energy: 1.4505800593372693
Energy: 1.3139450740004224
Energy: 1.5746490534264248
Energy: 1.3975895073746158
Energy: 1.3502081050488004
Energy: 1.5665141471036625
Energy: 1.4030948066157996
Energy: 1.3975895073746158
Energy: 1.3502081050473045
Energy: 1.5665141471001722
Energy: 1.5240236155442715
Energy: 1.314621563566582
Energy: 1.3606693966003334
Energy: 1.3957203214386336
Energy: 1.5240236155392852
Energy: 1.3146215635670808
Energy: 1.3311027133476976
Energy: 1.4008718724449523
Energy: 1.324289437229267
Energy: 1.5260846409579862
Energy: 1.3242437377397074
Energy: 1.4008718724434561
Energy: 1.3242894372312615
Energy: 1.52608464095649
Energy: 1.5240507246982247
Energy: 1.3957376821420602
Energy: 1.4125644659583387
Energy: 1.3148357929643393
Energy: 1.524050724697726
Energy: 1.3957376821390683
Energy: 1.4125644659652743
Energy: 1.3975785198043864
Energy: 1.402986712978765
Energy: 1.5664899194316393
Energy: 1.3504567288316123
Energy: 1.3975785198083752
Energy: 1.4029867129802607
Energy: 1.5664899194351298
Energy: 1.4507839854320845
Energy: 1.395542765182603
Energy: 1.4936430758806882
Energy: 1.3138723955564215
Energy: 1.450783985434079
Energy: 1.3955427651821042
Energy: 1.380438678349041
Energy: 1.3976738045881436
Energy: 1.40192857166169
Energy: 1.3424869816946343
Energy: 1.38553122194299
Energy: 1.3976738045886423
Energy: 1.4019285716636845
Energy: 1.3424869816931382
Energy: 1.413142006814176
Energy: 1.3954200465154065
Energy: 1.4068802634789974
Energy: 1.3169970231763097
Energy: 1.413142006821157
Energy: 1.3954200465154065
Energy: 1.4068802634814905
Energy: 1.35054598844549
Energy: 1.3879017774969666
Energy: 1.3422180531459742
Energy: 1.3862484231287882
Energy: 1.3505459884479831
Energy: 1.3879017774969666
Energy: 1.3422180531479688
Energy: 1.4129859530780262
Energy: 1.4062269859504974
Energy: 1.4088992144308392
Energy: 1.4060572997565688
Energy: 1.41298595307304
Energy: 1.4062269859519936
Energy: 1.4088992144328338
Energy: 1.3505742800529386
Energy: 1.3862538605029102
Energy: 1.342287618234738
Energy: 1.3879544137233455
Energy: 1.3505742800514426
Energy: 1.3862538605019128
Energy: 1.3422876182337404
Energy: 1.4131898618835748
Energy: 1.3169918391480695
Energy: 1.369939540064147
Energy: 1.3953767471274685
Energy: 1.4131898618830763
Energy: 1.3169918391450781
Energy: 1.3699395400651444
Energy: 1.3976250737244102
Energy: 1.3858969312787381
Energy: 1.3425720077160344
Energy: 1.4016132960236267
Energy: 1.3976250737239115
Energy: 1.3858969312737517
Energy: 1.3425720077115464
Energy: 1.4505800593392637
Energy: 1.3139450740004224
Energy: 1.574649053431411
Energy: 1.3954588661671314
Energy: 1.4505800593357734
Energy: 1.313945073997929
Energy: 1.5746490534249287
Energy: 1.3975895073746158
Energy: 1.350208105048302
Energy: 1.5665141471036625
Energy: 1.4030948066162983
Energy: 1.3975895073736186
Energy: 1.3502081050468056
Energy: 1.5665141471001722
Energy: 1.5240236155442715
Energy: 1.3146215635670808
Energy: 1.3311027133471989
Energy: 1.395720321439631
Energy: 1.524023615539784
Energy: 1.3146215635675795
Energy: 1.3311027133491935
Energy: 1.4008718724439546
Energy: 1.324289437230264
Energy: 1.5260846409584394
Energy: 1.3242437377392087
Energy: 1.4008718724434561
Energy: 1.3242894372312615
Energy: 1.5260846409559918
Energy: 1.5240507246997206
Energy: 1.3957376821415615
Energy: 1.4125644659593362
Energy: 1.3148357929638408
Energy: 1.5240507246987234
Energy: 1.3957376821400653
Energy: 1.4125644659652743
Energy: 1.3975785198043864
Energy: 1.4029867129792635
Energy: 1.5664899194326367
Energy: 1.3504567288316123
Energy: 1.3975785198068795
Energy: 1.4029867129817568
Energy: 1.5664899194356283
Energy: 1.450783985432583
Energy: 1.3955427651821042
Energy: 1.351628891919198
Energy: 1.3138723955554246
Energy: 1.4507839854350761
Energy: 1.3955427651811068
Energy: 1.3516288919162063
Energy: 1.3976738045881436
Energy: 1.4019285716611913
Energy: 1.3424869816946343
Energy: 1.38553122194299
Energy: 1.397673804589141
Energy: 1.4019285716631857
Energy: 1.3424869816946343
Energy: 1.4131420068151737
Energy: 1.3954200465159052
Energy: 1.406880263478
Energy: 1.3169970231753125
Energy: 1.413142006821157
Energy: 1.3954200465164042
Energy: 1.4068802634809918
Energy: 1.3505459884464872
Energy: 1.3879017774964684
Energy: 1.3422180531464727
Energy: 1.3862484231297854
Energy: 1.3505459884484818
Energy: 1.3879017774974653
Energy: 1.3422180531479688
Energy: 1.4129859530775277
Energy: 1.406226985952492
Energy: 1.4088992144323351
Energy: 1.40605729975607
Energy: 1.4129859530735385
Energy: 1.4062269859529906
Energy: 1.408899214433831
Energy: 1.3505742800529386
Energy: 1.386253860504406
Energy: 1.342287618234738
Energy: 1.3879544137238442
Energy: 1.3505742800499465
Energy: 1.386253860500417
Energy: 1.3422876182337404

minimum gb energy = 1.3138723955554246 eV
minimum distance =  2.26842251686914 Angstroms
sigma value = 21


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

Energy: 1.4420233687128619
Energy: 1.5066035471538919
Energy: 1.4454397051919305
Energy: 1.5068024436579093
Energy: 1.442023368714678
Energy: 1.5066035471544972
Energy: 1.4454397051919305
Energy: 1.4754107870552695
Energy: 1.377211883738937
Energy: 1.4469263082482984
Energy: 1.3752033600928406
Energy: 1.4754107870534534
Energy: 1.3772118837383316
Energy: 1.4469263082465096
Energy: 1.431616219829993
Energy: 1.4438816979690143
Energy: 1.446292091662756
Energy: 1.4135717434432438
Energy: 1.431616219828177
Energy: 1.443881697972646
Energy: 1.4462920916639666
Energy: 1.4857084617789147
Energy: 1.377446029738555
Energy: 1.52392452310348
Energy: 1.374074091087664
Energy: 1.4857084617789147
Energy: 1.3774460297361337
Energy: 1.5239245231028746
Energy: 1.3890425221021947
Energy: 1.4374410633484063
Energy: 1.4051188069550695
Energy: 1.3864248891231727
Energy: 1.3890425221027995
Energy: 1.4374410633484063
Energy: 1.4051188069544642
Energy: 1.4857704611723588
Energy: 1.4277943994954023
Energy: 1.4707455530495903
Energy: 1.3803268073441364
Energy: 1.4857704611705431
Energy: 1.4277943994960076
Energy: 1.4707455530514066
Energy: 1.480321241001154
Energy: 1.4674532707464258
Energy: 1.3874833514602873
Energy: 1.3811288290251702
Energy: 1.4803212410005488
Energy: 1.4674532707458205
Energy: 1.3915271662385238
Energy: 1.434210360137122
Energy: 1.4387401669445745
Energy: 1.444561920885163
Energy: 1.3802163899093045
Energy: 1.4342103601377274
Energy: 1.4387401669445745
Energy: 1.444561920885163
Energy: 1.4817353800516337
Energy: 1.3896710563544477
Energy: 1.4194310221447652
Energy: 1.4886030977088962
Energy: 1.4817353800510287
Energy: 1.3896710563514485
Energy: 1.4194310221441597
Energy: 1.389768956676604
Energy: 1.4215402199613714
Energy: 1.3710163450098556
Energy: 1.3731879114447518
Energy: 1.3897689566778146
Energy: 1.4215402199601608
Energy: 1.3710163450110662
Energy: 1.5352149011922045
Energy: 1.435494606524009
Energy: 1.3961511109735694
Energy: 1.4137762696656304
Energy: 1.5352149011915994
Energy: 1.435494606524009
Energy: 1.3961511109735694
Energy: 1.3573893931625014
Energy: 1.3914593267670206
Energy: 1.385204983092868
Energy: 1.3414723826211923
Energy: 1.3573893931643175
Energy: 1.3914593267670206
Energy: 1.3852049830922626
Energy: 1.5353117428312595
Energy: 1.3632703413453484
Energy: 1.447098225846454
Energy: 1.3770953237670303
Energy: 1.5353117428312595
Energy: 1.3632703413477696
Energy: 1.4470982258476646
Energy: 1.3575078205114006
Energy: 1.3913748403663564
Energy: 1.4166073414461169
Energy: 1.4110791946102779
Energy: 1.357507820512611
Energy: 1.3913748403657509
Energy: 1.4166073414461169
Energy: 1.466535657939164
Energy: 1.376171417812825
Energy: 1.3729037611285013
Energy: 1.3854222037388753
Energy: 1.4665356579379534
Energy: 1.3761714178122197
Energy: 1.3729037611272905
Energy: 1.3284180862308956
Energy: 1.4453144675823653
Energy: 1.4165686713619088
Energy: 1.4301697133964384
Energy: 1.3284180862315007
Energy: 1.445314467580549
Energy: 1.4165686713631194
Energy: 1.4652526381950295
Energy: 1.376062329704425
Energy: 1.5451321783068235
Energy: 1.3857497557700689
Energy: 1.4652526381938191
Energy: 1.3760623297032144
Energy: 1.5485597352611762
Energy: 1.3284443314213341
Energy: 1.3875329704006272
Energy: 1.4136468030078295
Energy: 1.457727931279446
Energy: 1.3284443314213341
Energy: 1.3875329704012322
Energy: 1.4136468030072242
Energy: 1.4267699492150814
Energy: 1.3758888313058601
Energy: 1.4970097719641589
Energy: 1.3852528497391408
Energy: 1.4267699492144765
Energy: 1.3758888313058601
Energy: 1.4970097719647641
Energy: 1.328312402327236
Energy: 1.4117828250933753
Energy: 1.3741752426729292
Energy: 1.4119248987188844
Energy: 1.3283124023260253
Energy: 1.4117828250945859
Energy: 1.3741752426741396
Energy: 1.4267739825183856
Energy: 1.3852352659419687
Energy: 1.497109339134224
Energy: 1.3758993814523997
Energy: 1.4267739825202017
Energy: 1.3852352659413631
Energy: 1.49710933913604
Energy: 1.3283737873081947
Energy: 1.4561815667722529
Energy: 1.413634267711335
Energy: 1.3873575372725635
Energy: 1.3283737873106158
Energy: 1.4561815667716476
Energy: 1.4136342677107296
Energy: 1.4655097756170072
Energy: 1.3857819879027282
Energy: 1.4825583429898876
Energy: 1.3760549703504712
Energy: 1.4655097756157967
Energy: 1.3857819879027282
Energy: 1.482558342990493
Energy: 1.3284262955475252
Energy: 1.4301789403954366
Energy: 1.4167854683678958
Energy: 1.445186193688058
Energy: 1.3284262955481305
Energy: 1.4301789403936207
Energy: 1.4167854683678958
Energy: 1.4632229256257645
Energy: 1.3860122235761745
Energy: 1.53293639904948
Energy: 1.3761656839548997
Energy: 1.4632229256275804
Energy: 1.386012223575569
Energy: 1.496490164373055

minimum gb energy = 1.3283124023260253 eV
minimum distance =  2.18762389921133 Angstroms
sigma value = 113


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

Energy: 1.5123528176886523
Energy: 1.4840639172745396
Energy: 1.4088504063402993
Energy: 1.484386542609369
Energy: 1.5123528176818957
Energy: 1.4840639172745396
Energy: 1.4264665510772896
Energy: 1.5364156596699172
Energy: 1.4129732294166772
Energy: 1.5665999594820763
Energy: 1.4138133249303295
Energy: 1.5364156596699172
Energy: 1.4129732294166772
Energy: 1.566599959478698
Energy: 1.5130346629128402
Energy: 1.410649082611325
Energy: 1.5168815554426387
Energy: 1.4211104774796808
Energy: 1.5130346629094618
Energy: 1.4106490826147033
Energy: 1.5168815554392603
Energy: 1.3481015692922635
Energy: 1.441280962280893
Energy: 1.6575432251437685
Energy: 1.4574256534854841
Energy: 1.3481015692956422
Energy: 1.441280962274136
Energy: 1.6575432251437685
Energy: 1.5271117398951646
Energy: 1.3517349163388035
Energy: 1.44258385621414
Energy: 1.3529205639384931
Energy: 1.5271117399019214
Energy: 1.3517349163388035
Energy: 1.44258385621414
Energy: 1.3875250345274297
Energy: 1.406870919309745
Energy: 1.566887893482159
Energy: 1.35821702202759
Energy: 1.387525034530808
Energy: 1.4068709193165017
Energy: 1.5668878934787807
Energy: 1.403220562513112
Energy: 1.3512974884054416
Energy: 1.4436732840812068
Energy: 1.3549646470409327
Energy: 1.4032205625063554
Energy: 1.3512974884121982
Energy: 1.4941991413167954
Energy: 1.413482125312113
Energy: 1.3819176872085766
Energy: 1.5022110973380165
Energy: 1.3269035344116726
Energy: 1.4134821253087348
Energy: 1.3819176872051984
Energy: 1.5022110973380165
Energy: 1.3865739239664419
Energy: 1.3643564027146193
Energy: 1.5132658308036293
Energy: 1.3462488725765203
Energy: 1.3865739239630634
Energy: 1.364356402711241
Energy: 1.513265830800251
Energy: 1.306972713717732
Energy: 1.387836745101896
Energy: 1.4901848445845862
Energy: 1.3300093184479462
Energy: 1.3069727137211105
Energy: 1.3878367451086528
Energy: 1.4901848445845862
Energy: 1.3998689197998306
Energy: 1.426916523177798
Energy: 1.4948120868106405
Energy: 1.3441205099606204
Energy: 1.3998689197964522
Energy: 1.426916523177798
Energy: 1.494812086817397
Energy: 1.3072360736851454
Energy: 1.3422982923223037
Energy: 1.6191772235598185
Energy: 1.3643957379196354
Energy: 1.3072360736919022
Energy: 1.3422982923189253
Energy: 1.6191772235598185
Energy: 1.4141000931982473
Energy: 1.428334719846999
Energy: 1.539633762445377
Energy: 1.3305746649215098
Energy: 1.4141000931982473
Energy: 1.4283347198436205
Energy: 1.539633762445377
Energy: 1.4417966592002334
Energy: 1.439120240014231
Energy: 1.6189738246825887
Energy: 1.3744513864904109
Energy: 1.44179665920699
Energy: 1.4391202400074743
Energy: 1.6189738246792102
Energy: 1.4369071621225682
Energy: 1.4547024983475445
Energy: 1.6178858535256644
Energy: 1.4614223334041
Energy: 1.4369071621259466
Energy: 1.454702498344166
Energy: 1.6178858535256644
Energy: 1.4414273241283138
Energy: 1.3419168716137924
Energy: 1.5810778398686491
Energy: 1.366901047134077
Energy: 1.4414273241283138
Energy: 1.3419168716104142
Energy: 1.5810778398686491
Energy: 1.4596357919824312
Energy: 1.4281957927749835
Energy: 1.6191068814212495
Energy: 1.329995649645308
Energy: 1.4596357919824312
Energy: 1.4281957927749835
Energy: 1.6191068814246279
Energy: 1.3738518412181673
Energy: 1.3357270421529666
Energy: 1.5795217914422366
Energy: 1.3702100641090569
Energy: 1.3738518412283025
Energy: 1.335727042156345
Energy: 1.5795217914489932
Energy: 1.4720217393158472
Energy: 1.418563402043835
Energy: 1.5056132963677544
Energy: 1.3793516675597914
Energy: 1.4720217393090906
Energy: 1.4185634020404565
Energy: 1.5056132963711328
Energy: 1.3022123773213645
Energy: 1.3293033065605517
Energy: 1.4879946762758975
Energy: 1.3139114316139908
Energy: 1.3022123773247427
Energy: 1.3293033065537951
Energy: 1.4879946762758975
Energy: 1.3437691389759676
Energy: 1.3473750407156044
Energy: 1.50731984285404
Energy: 1.4983920234446135
Energy: 1.3437691389725892
Energy: 1.347375040712226
Energy: 1.5073198428472832
Energy: 1.3026041834145912
Energy: 1.33531045318077
Energy: 1.4619100407996655
Energy: 1.3362553850365186
Energy: 1.3026041834247262
Energy: 1.33531045318077
Energy: 1.4619100408030439
Energy: 1.3462253185772626
Energy: 1.3314685104233044
Energy: 1.5380241507570847
Energy: 1.4801661115176468
Energy: 1.3462253185840192
Energy: 1.3314685104199262
Energy: 1.5380241507537062
Energy: 1.370853017667683
Energy: 1.342027920486297
Energy: 1.4662585770399164
Energy: 1.3323248077706142
Energy: 1.3708530176609262
Energy: 1.3420279204896755
Energy: 1.4662585770365382
Energy: 1.4562957650302493
Energy: 1.4182101453853941
Energy: 1.4886814404036763
Energy: 1.4958101656288996
Energy: 1.4562957650234925
Energy: 1.4182101453752591
Energy: 1.4886814404036763
Energy: 1.4471303686551338
Energy: 1.4196308873642045
Energy: 1.5441331814081367
Energy: 1.3969139443816
Energy: 1.4471303686517554
Energy: 1.419630887360826
Energy: 1.544133181411515
Energy: 1.558781440269454
Energy: 1.3848613465842194
Energy: 1.4400148639525292
Energy: 1.4987043075707378
Energy: 1.558781440269454
Energy: 1.3848613465740844
Energy: 1.4400148639491508
Energy: 1.3707636846978613
Energy: 1.480414356642529
Energy: 1.5688196511571346
Energy: 1.4741002819747224
Energy: 1.3707636847012394
Energy: 1.480414356642529
Energy: 1.5688196511571346
Energy: 1.5521332099641507
Energy: 1.385443726775627
Energy: 1.5218357001439413
Energy: 1.4910983231599788
Energy: 1.5521332099641507
Energy: 1.3854437267790054
Energy: 1.5218357001473197
Energy: 1.3708477141381883
Energy: 1.3994320384948085
Energy: 1.5565623060411413
Energy: 1.4104727764469116
Energy: 1.3708477141381883
Energy: 1.3994320384948085
Energy: 1.5565623060445195
Energy: 1.3976466559747063
Energy: 1.3857599325485366
Energy: 1.5135720375000234
Energy: 1.4950990565306899
Energy: 1.3976466559780847
Energy: 1.3857599325451584
Energy: 1.5135720375000234
Energy: 1.3930568383065474
Energy: 1.3400397255270717
Energy: 1.4892496297771223
Energy: 1.3797799440846101
Energy: 1.3930568383065474
Energy: 1.3400397255338288
Energy: 1.4892496297771223
Energy: 1.4497793287972383
Energy: 1.3296458282216783
Energy: 1.5260956194894384
Energy: 1.4328862395170692
Energy: 1.4497793287904817
Energy: 1.3296458282216783
Energy: 1.5260956194826818
Energy: 1.3733350409993499
Energy: 1.3401948755080735
Energy: 1.4344972087805192
Energy: 1.3479155733710626
Energy: 1.3733350409925928
Energy: 1.3401948755046953
Energy: 1.4344972087771408
Energy: 1.372477298514167
Energy: 1.3348404155651583
Energy: 1.5251311444860574
Energy: 1.4128730450944804
Energy: 1.3724772985209237
Energy: 1.3348404155651583
Energy: 1.5251311444860574
Energy: 1.3720467981361046
Energy: 1.3697123765646557
Energy: 1.4328922287021482
Energy: 1.3196162729910206
Energy: 1.3720467981428612
Energy: 1.3697123765646557
Energy: 1.4328922286953916
Energy: 1.3985416568530336
Energy: 1.3493201044899341
Energy: 1.4909877218086545
Energy: 1.4281603625962416
Energy: 1.398541656846277
Energy: 1.349320104486556
Energy: 1.4909877218052763
Energy: 1.3723221151961376
Energy: 1.3703155671291811
Energy: 1.4427764562336143
Energy: 1.3205409059519548
Energy: 1.3723221151927594
Energy: 1.3703155671291811
Energy: 1.4427764562302359
Energy: 1.3536393040234944
Energy: 1.4179536685714729
Energy: 1.611955487377166
Energy: 1.3875161243507486
Energy: 1.3536393040167378
Energy: 1.4179536685680947
Energy: 1.6119554873805444
Energy: 1.3468488091467292
Energy: 1.4243228409583677
Energy: 1.4533972082189555
Energy: 1.388916898720519
Energy: 1.3468488091433508
Energy: 1.4243228409617459
Energy: 1.4533972082189555
Energy: 1.4554372724241929
Energy: 1.4146405782814064
Energy: 1.6000300796818696
Energy: 1.3878337366333273
Energy: 1.455437272430888
Energy: 1.4146405782746498
Energy: 1.6000300796683562
Energy: 1.3769422820447519
Energy: 1.454470863942417
Energy: 1.601568340116095
Energy: 1.4709135905940696
Energy: 1.37694228204813
Energy: 1.4544708639457342
Energy: 1.6015683401127165
Energy: 1.4170400057879802
Energy: 1.4149292168933156
Energy: 1.5734428668041047
Energy: 1.4302702395085654
Energy: 1.4170400057913584
Energy: 1.4149292168899374
Energy: 1.5734428668007265
Energy: 1.4289946681410304
Energy: 1.422442705040711
Energy: 1.5836332440801932
Energy: 1.3803239091390904
Energy: 1.428994668147787
Energy: 1.422442705040711
Energy: 1.5836332440801932
Energy: 1.3074466127209494
Energy: 1.394789953577687
Energy: 1.5897272224941892
Energy: 1.433038273716816
Energy: 1.307446612717571
Energy: 1.394789953577687
Energy: 1.589727222490811

minimum gb energy = 1.3022123773213645 eV
minimum distance =  2.20434005065801 Angstroms
sigma value = 365


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

Energy: 1.4349704970014716
Energy: 1.2366289147904344
Energy: 1.273309790557764
Energy: 1.2366289147927194
Energy: 1.43497049700071
Energy: 1.2366289147927194
Energy: 1.2954605214580681
Energy: 1.4349704970037567
Energy: 1.236628914791196
Energy: 1.5324824813991866
Energy: 1.2366289147896725
Energy: 1.4349704970014716
Energy: 1.2366289147904344
Energy: 1.3539100761509608
Energy: 1.4349704970022334
Energy: 1.236628914791196
Energy: 1.3858027284512138
Energy: 1.2366289147904344
Energy: 1.4349704970014716
Energy: 1.2366289147904344
Energy: 1.2428428911438156
Energy: 1.4349704970022334
Energy: 1.2366289147904344
Energy: 1.4022658788088846
Energy: 1.2366289147919576
Energy: 1.4349704970014716
Energy: 1.2366289147919576
Energy: 1.3101063765916239
Energy: 1.4349704970022334
Energy: 1.2366289147919576
Energy: 1.5132530434340785
Energy: 1.2366289147904344
Energy: 1.4349704970022334
Energy: 1.2366289147896725
Energy: 1.2428430477458674
Energy: 1.4349704970029953
Energy: 1.236628914791196
Energy: 1.2691943523564593
Energy: 1.2366289147904344
Energy: 1.4349704970029953
Energy: 1.2366289147896725
Energy: 1.3098498277066817
Energy: 1.4349704970014716
Energy: 1.2366289147896725
Energy: 1.2980504837870928
Energy: 1.236628914791196
Energy: 1.43497049700071
Energy: 1.236628914791196
Energy: 1.310106128475636
Energy: 1.4349704970029953
Energy: 1.2366289147919576
Energy: 1.3406170592384539
Energy: 1.2366289147904344
Energy: 1.4349704970022334
Energy: 1.236628914791196
Energy: 1.3098498155394873
Energy: 1.4349704970029953
Energy: 1.236628914791196
Energy: 1.3539100761874876
Energy: 1.2366289147904344
Energy: 1.4349704970014716
Energy: 1.236628914791196
Energy: 1.2428419687647456
Energy: 1.4349704970022334
Energy: 1.236628914791196
Energy: 1.4180794196678181
Energy: 1.2366289147934812
Energy: 1.43497049700071
Energy: 1.236628914791196
Energy: 1.2954602766509034
Energy: 1.4349704970022334
Energy: 1.2366289147919576
Energy: 1.2428420241250535
Energy: 1.2366289147904344
Energy: 1.43497049700071
Energy: 1.236628914791196
Energy: 1.242841928961956
Energy: 1.4349704970029953
Energy: 1.236628914791196
Energy: 1.3539100761951042
Energy: 1.236628914791196
Energy: 1.4349704970029953
Energy: 1.2366289147904344
Energy: 1.3539100761973895
Energy: 1.4349704970014716
Energy: 1.2366289147904344
Energy: 1.3539100761981508
Energy: 1.2366289147919576
Energy: 1.4349704969999486
Energy: 1.2366289147927194
Energy: 1.3539100761996743
Energy: 1.4349704970029953
Energy: 1.236628914791196
Energy: 1.3539100762004361
Energy: 1.2366289147904344
Energy: 1.4349704970014716
Energy: 1.236628914791196
Energy: 1.3539100762050063
Energy: 1.4349704970022334
Energy: 1.236628914791196
Energy: 1.3539100762072913
Energy: 1.2366289147896725
Energy: 1.4349704970014716
Energy: 1.2366289147904344
Energy: 1.3539100762088148
Energy: 1.4349704970022334
Energy: 1.2366289147904344
Energy: 1.3539100761966278
Energy: 1.2366289147927194
Energy: 1.4349704970014716
Energy: 1.2366289147927194
Energy: 1.3539100762004361
Energy: 1.4349704970022334
Energy: 1.2366289147904344
Energy: 1.3539100762110996
Energy: 1.2366289147904344
Energy: 1.4349704970022334
Energy: 1.2366289147904344
Energy: 1.3539100762118614
Energy: 1.4349704970029953
Energy: 1.236628914791196
Energy: 1.3539100762149083
Energy: 1.236628914791196
Energy: 1.4349704970029953
Energy: 1.2366289147904344
Energy: 1.3539100762194782
Energy: 1.4349704970014716
Energy: 1.236628914791196
Energy: 1.353910076210338
Energy: 1.2366289147927194
Energy: 1.4349704969999486
Energy: 1.2366289147919576
Energy: 1.3539100762133847
Energy: 1.4349704970037567
Energy: 1.2366289147919576
Energy: 1.3539100762187168
Energy: 1.2366289147904344
Energy: 1.4349704970022334
Energy: 1.2366289147904344
Energy: 1.3539100762217635

minimum gb energy = 1.2366289147896725 eV
minimum distance =  2.31882470803255 Angstroms
sigma value = 23