Model name: model_name=Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.619999974966049
cohesive_energy=3.5402784093884163
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013651142175706406
Energy: 1.4725442008600365
Energy: 1.986973275421521
Energy: 1.472544200860627
Energy: 1.4725442008600365
Energy: 0.6086423999626026
Energy: 1.4725442008600365
Energy: 0.6086423999626026
Energy: 1.9971838528814005
Energy: 1.4725442008600365
Energy: 0.013651142175706406
Energy: 1.4725442008600365
Energy: 1.4725442008600365
Energy: 0.6086423999626026
Energy: 1.4725442008600365
Energy: 0.6086423999626026

minimum gb energy = 0.013651142175706406 eV
minimum distance =  2.43753545522792 Angstroms
sigma value = 1


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

Energy: 1.6233976808104091
Energy: 1.7873754790968106
Energy: 1.0648088419710429
Energy: 1.7873754790968106
Energy: 1.7386749211753414
Energy: 1.2738290027739425
Energy: 1.4891389117566571
Energy: 1.2738290027731842
Energy: 1.1962281991385093
Energy: 1.7151019533797631
Energy: 1.5677879559821568
Energy: 1.7151019533805218
Energy: 1.3039271068181337
Energy: 1.5372065205404368
Energy: 1.5299731803536547
Energy: 1.5372065205389198
Energy: 1.352677384340766
Energy: 1.5629322052622607
Energy: 1.6944211481537033
Energy: 1.5629322052622607
Energy: 1.4665734097640917
Energy: 1.627590913917231
Energy: 1.4859607401428077
Energy: 1.627590913917231
Energy: 1.8723798537250547
Energy: 1.4866253496916633
Energy: 1.7579792420733857
Energy: 1.4866253496909045
Energy: 1.2480586304679733
Energy: 1.896366310786135
Energy: 1.1751482411059984
Energy: 1.8963663107868938
Energy: 1.6091847539822761
Energy: 1.4261972488180323
Energy: 1.5990206016202901
Energy: 1.4261972488187908
Energy: 1.3602966099276146
Energy: 1.7320183596992005
Energy: 1.2052417934379218
Energy: 1.7320183596992005
Energy: 1.6643655646017417
Energy: 1.3751473476714047
Energy: 1.7977139877249362
Energy: 1.3751473476714047
Energy: 1.3029634167262434
Energy: 1.7137137796202795
Energy: 1.3261237512343353
Energy: 1.7137137796119353
Energy: 1.6664537312141836
Energy: 1.4213614912652461
Energy: 1.56774100019369
Energy: 1.4213614912652461
Energy: 1.4610740544094998
Energy: 1.5488272586430119
Energy: 1.4215662107509404
Energy: 1.5488272586430119
Energy: 1.6327975109582562
Energy: 1.432907006546205
Energy: 1.6223896413765293
Energy: 1.432907006546205
Energy: 1.5012171724981476
Energy: 1.3881338566440287
Energy: 1.5698035794567706
Energy: 1.3881338566409942
Energy: 1.4246961250478514
Energy: 1.6501945463594603
Energy: 1.2908807233623658
Energy: 1.650194546360219
Energy: 1.6876294445237632
Energy: 1.2265443653532173
Energy: 1.513774394975529
Energy: 1.2265443653532173
Energy: 1.2176625892751463
Energy: 1.8137651614904546
Energy: 1.3542373121050566
Energy: 1.8137651614912136
Energy: 1.5901429878795397
Energy: 1.450135937376413
Energy: 1.759884368145432
Energy: 1.450135937376413
Energy: 1.3000307122887627
Energy: 1.7137149386501815
Energy: 1.2335800987442527
Energy: 1.7137149386509403
Energy: 1.6154608961539145
Energy: 1.5386174276584297
Energy: 1.4493911748718031
Energy: 1.5386174276152251
Energy: 1.6723052933696259
Energy: 1.6704701317610293
Energy: 1.3744189707471637
Energy: 1.670470131760271
Energy: 1.4949609309848702
Energy: 1.4499777638896585
Energy: 1.6951889394079995
Energy: 1.4499777638896585
Energy: 1.4648600553532114
Energy: 1.5238286655704267
Energy: 1.6869046351020944
Energy: 1.523828665569668
Energy: 1.3312919692536895
Energy: 1.6560570428442556
Energy: 1.5101194276828318
Energy: 1.6560570428450143
Energy: 1.4940183943852643
Energy: 1.3158093593565359
Energy: 1.5200731876521798
Energy: 1.3158093593565359
Energy: 1.2177381950703436
Energy: 1.6818710652124205
Energy: 1.5291749987028778
Energy: 1.6818710652124205
Energy: 1.7357894750892404
Energy: 1.2145363097867963
Energy: 1.4884348087664196
Energy: 1.2145363097875548
Energy: 1.7509073689180015
Energy: 1.7336180582860592
Energy: 1.1293690572818063
Energy: 1.7336180582837837
Energy: 1.813338991429604
Energy: 1.2666340632366888
Energy: 1.6065054817166429
Energy: 1.2666340632366888
Energy: 1.497112058590076
Energy: 1.5885634158478705
Energy: 1.5922451033069198
Energy: 1.5885634158463535
Energy: 1.2984105879178554
Energy: 1.561460204116991
Energy: 1.5370009249136147
Energy: 1.5614602041238181

minimum gb energy = 1.0648088419710429 eV
minimum distance =  2.32510239940657 Angstroms
sigma value = 1


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

Energy: 1.5838505846579398
Energy: 1.7905942849044103
Energy: 1.1570963560381018
Energy: 1.7905942849035452
Energy: 1.5584941653568622
Energy: 1.3152690444738713
Energy: 1.4362645755617687
Energy: 1.3152690444747361
Energy: 1.1507494375299696
Energy: 1.7364331213853552
Energy: 1.6800422953229195
Energy: 1.7364331213853552
Energy: 1.4244997717947827
Energy: 1.514169587973148
Energy: 1.5543766551624474
Energy: 1.514169587973148
Energy: 1.4417754118320605
Energy: 1.4898859813562917
Energy: 1.5304898061107883
Energy: 1.4898859813554268
Energy: 1.43841456485365
Energy: 1.6169489899119562
Energy: 1.3686160592243708
Energy: 1.6169489899128215
Energy: 1.6617377688531934
Energy: 1.5069116446389965
Energy: 1.6801969663441936
Energy: 1.5069116446398614
Energy: 1.248246119525886
Energy: 1.8614649659981197
Energy: 1.3597897333047095
Energy: 1.8614649659981197
Energy: 1.7239342236723558
Energy: 1.5266602387964712
Energy: 1.5751336171218622
Energy: 1.5266602387964712
Energy: 1.2770584351128016
Energy: 1.8419460205408837
Energy: 1.2402710776293022
Energy: 1.8419460205408837
Energy: 1.6274973844019858
Energy: 1.3540281890326549
Energy: 1.6820247154842896
Energy: 1.3540281890326549
Energy: 1.309106663437093
Energy: 1.6253153151395652
Energy: 1.4936702751692135
Energy: 1.6253153151395652
Energy: 1.6241984549913522
Energy: 1.3898582289796422
Energy: 1.5271690863133762
Energy: 1.3898582289796422
Energy: 1.6230659281477315
Energy: 1.3893399521125689
Energy: 1.531477738128545
Energy: 1.389339952110839
Energy: 1.297200376607413
Energy: 1.6205124131868025
Energy: 1.3998179690113532
Energy: 1.6205124131876676
Energy: 1.641915918430586
Energy: 1.3543201183765483
Energy: 1.6826087458040382
Energy: 1.3543201183774132
Energy: 1.2719343250352324
Energy: 1.8361600201639003
Energy: 1.197585723475193
Energy: 1.8361600201639003
Energy: 1.611300231051955
Energy: 1.4465382679858525
Energy: 1.5841638864382208
Energy: 1.4465382679858525
Energy: 1.200519540336879
Energy: 1.8622072007450134
Energy: 1.4348276928770387
Energy: 1.8622072007441488
Energy: 1.6582093935871562
Energy: 1.519272686078841
Energy: 1.8529810426875812
Energy: 1.519272686078841
Energy: 1.4376282606199766
Energy: 1.553712304544315
Energy: 1.4221608317539762
Energy: 1.553712304544315
Energy: 1.4117648142001935
Energy: 1.4915438800694014
Energy: 1.4284891265109299
Energy: 1.4915438800694014
Energy: 1.4320542955205464
Energy: 1.5016375793278878
Energy: 1.4634444625645304
Energy: 1.5016375793278878
Energy: 1.270258818214283
Energy: 1.7348220701311048
Energy: 1.530914209691616
Energy: 1.7348220701319699
Energy: 1.563640285640773
Energy: 1.2920117889144094
Energy: 1.4534444172046719
Energy: 1.2920117889152742
Energy: 1.5838505846691444
Energy: 1.7905942849044103
Energy: 1.187581192942643
Energy: 1.7905942849052754
Energy: 1.5584941653611868
Energy: 1.3152690444756012
Energy: 1.436264575624003
Energy: 1.3152690444756012
Energy: 1.1507494378048935
Energy: 1.7364331213836255
Energy: 1.6800422953220546
Energy: 1.7364331213836255
Energy: 1.4244997717930528
Energy: 1.514169587973148
Energy: 1.5543766551633122
Energy: 1.514169587973148

minimum gb energy = 1.1507494375299696 eV
minimum distance =  2.32546274877122 Angstroms
sigma value = 25


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

Energy: 1.7362669193431062
Energy: 1.78521386779493
Energy: 1.2712529820392091
Energy: 1.7852138677959353
Energy: 1.7163866584408767
Energy: 1.3231117734917786
Energy: 1.2992869159452807
Energy: 1.3231117734927842
Energy: 1.3617472588216253
Energy: 1.79406057114524
Energy: 1.4761857676745667
Energy: 1.7940605711462456
Energy: 1.2312840880256877
Energy: 1.6176928971310542
Energy: 1.6148662164099234
Energy: 1.6176928971310542
Energy: 1.6691283392800391
Energy: 1.5977773503275619
Energy: 1.6971904122710635
Energy: 1.5977773503275619
Energy: 1.6209761872408872
Energy: 2.105709187715728
Energy: 1.5138595176235317
Energy: 2.105709187715728
Energy: 1.7786754899514334
Energy: 1.5953081243104923
Energy: 1.9847560123664965
Energy: 1.5953081243104923
Energy: 1.3674873067112947
Energy: 1.7292085692928303
Energy: 1.5754855074812923
Energy: 1.7292085692978576
Energy: 1.87510776100322
Energy: 1.4079578215467534
Energy: 1.4857535876242636
Energy: 1.4079578215467534
Energy: 1.4048693876458644
Energy: 1.7891291076599525
Energy: 1.454336706356987
Energy: 1.789129107660958
Energy: 1.6027843605572316
Energy: 1.3867590303267696
Energy: 1.5913194475608456
Energy: 1.3867590303277753
Energy: 1.5981915747582809
Energy: 1.6396170316417762
Energy: 1.456739855003359
Energy: 1.6396170316417762
Energy: 1.576123095206694
Energy: 1.555961483066596
Energy: 1.3730640664486178
Energy: 1.55596148311584
Energy: 1.7877842608441403
Energy: 1.6782881838685269
Energy: 1.4594721144943872
Energy: 1.6782881838685269
Energy: 1.266806126314645
Energy: 1.8439686664158144
Energy: 1.549472545688973
Energy: 1.8439686664158144
Energy: 1.609471010135759
Energy: 1.5856776487227568
Energy: 1.8385201180137996
Energy: 1.5856776487217514
Energy: 1.4500456547546132
Energy: 2.022902765319761
Energy: 1.363760153370344
Energy: 2.0229027653147567
Energy: 1.784346759698391
Energy: 1.6407812378244069
Energy: 1.4216712402199856
Energy: 1.6407812378244069
Energy: 1.4516270250430394
Energy: 1.7351555887699102
Energy: 1.576064819734921
Energy: 1.7351555887699102
Energy: 1.39434947950625
Energy: 1.6524821961562863
Energy: 1.5265993321681082
Energy: 1.6524821961562863
Energy: 1.6734131426952905
Energy: 1.4030041827301114
Energy: 1.571876253841653
Energy: 1.4030041827291062
Energy: 1.733757848564279
Energy: 1.7918172163506696
Energy: 1.2559041134756628
Energy: 1.7918172163476989
Energy: 1.7414726467066712
Energy: 1.3165599563048762
Energy: 1.3013932033078022
Energy: 1.3165599563048762
Energy: 1.489907404365401
Energy: 1.7626146222221382
Energy: 1.406755909465321
Energy: 1.7626146222181394
Energy: 1.4781452516051803
Energy: 1.5178465831706802
Energy: 1.6340187769881864
Energy: 1.5178465831706802

minimum gb energy = 1.2312840880256877 eV
minimum distance =  2.32359675161201 Angstroms
sigma value = 9


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

Energy: 1.5707286111275494
Energy: 1.5738859289034786
Energy: 1.3439600203224735
Energy: 1.5738859289022789
Energy: 1.8440385386830898
Energy: 1.5499990460077713
Energy: 1.3428974932647473
Energy: 1.5499990460077713
Energy: 1.5909395697697413
Energy: 1.4100514698106632
Energy: 1.4672222489934605
Energy: 1.4100514698106632
Energy: 1.6039284660301532
Energy: 1.7087381270599844
Energy: 1.8597830476627903
Energy: 1.7087381270623827
Energy: 1.7856691252435752
Energy: 1.5814633858951341
Energy: 1.683652465441137
Energy: 1.5814633858951341
Energy: 1.6152516857965817
Energy: 1.9961575671767915
Energy: 1.7189021542150342
Energy: 1.9961575671767915
Energy: 1.4714613245955688
Energy: 1.5916303572329742
Energy: 1.9469687730758771
Energy: 1.5916303572317747
Energy: 1.4647669116260136
Energy: 1.8906021127940296
Energy: 1.4595011713129866
Energy: 1.8906021127940296
Energy: 1.584719588365904
Energy: 1.2911161717715882
Energy: 1.827549962226535
Energy: 1.2911161717715882
Energy: 1.799848579757372
Energy: 1.6799399220762028
Energy: 1.5561251106864478
Energy: 1.6799399226552487
Energy: 1.5639593753102474
Energy: 1.4643331891778582
Energy: 1.5191560649768425
Energy: 1.4643331891778582
Energy: 1.4209480458898573
Energy: 1.7820947529816829
Energy: 1.7930052628983726
Energy: 1.7820947529828823
Energy: 1.4507193544200192
Energy: 1.692043328206909
Energy: 1.3081916225143104
Energy: 1.692043328206909
Energy: 1.7292967330744655
Energy: 1.6876726391685766
Energy: 1.5262801241742132
Energy: 1.6876726391709753
Energy: 1.44417638365014
Energy: 1.6907185437826167
Energy: 1.3646534863488142
Energy: 1.6907185437814174
Energy: 1.4139245218590828
Energy: 1.7811505000150043
Energy: 1.7952801796294695
Energy: 1.7811505000150043
Energy: 1.5636397108185474
Energy: 1.4435430128626752
Energy: 1.6507665873115176
Energy: 1.4435430149259456
Energy: 1.7933416720384632
Energy: 1.7179764600158456
Energy: 1.5538476275419508
Energy: 1.7577762477745549
Energy: 1.6097617248070701
Energy: 1.2877843372712738
Energy: 1.5350760752439705
Energy: 1.2877843372712738
Energy: 1.4497409315755634
Energy: 1.885279705177891
Energy: 1.4546542562186584
Energy: 1.8852797051766914
Energy: 1.4504818565400388
Energy: 1.5903952583703318
Energy: 1.9076547264432673
Energy: 1.5903952583739298

minimum gb energy = 1.2877843372712738 eV
minimum distance =  2.32341517501854 Angstroms
sigma value = 25


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

Energy: 1.6354682050242044
Energy: 1.3049981591553506
Energy: 1.5042347418738329
Energy: 1.3049981591553506
Energy: 1.9161492656810664
Energy: 1.5000657486145574
Energy: 1.3758668283155493
Energy: 1.500065748611591
Energy: 1.5305317012035942
Energy: 1.6515121403396855
Energy: 1.4178361948714648
Energy: 1.6515121403396855
Energy: 1.7906174308370704
Energy: 1.6781831144176576
Energy: 1.4774593552768582
Energy: 1.678183114419141
Energy: 1.6818191261311517
Energy: 1.799962049823991
Energy: 1.6776403853205426
Energy: 1.799962049823991
Energy: 1.328659609759539
Energy: 1.8906677284207034
Energy: 1.700497391955805
Energy: 1.8906677284207034
Energy: 1.6509121152324917
Energy: 1.4171726623130225
Energy: 1.7545716485971998
Energy: 1.4171726623130225
Energy: 1.4865408631309305
Energy: 1.3658373434740352
Energy: 1.806712963732104
Energy: 1.3658373434740352
Energy: 1.5207739575049164
Energy: 1.6600725675116186
Energy: 1.7571750365059462
Energy: 1.6600725675101355
Energy: 1.7353252124036114
Energy: 1.3711635039343804
Energy: 1.4576742328328205
Energy: 1.3711632038289674
Energy: 1.6342000325093589
Energy: 1.634167494831333
Energy: 1.5765712243346222
Energy: 1.634167494831333
Energy: 1.5285764568710396
Energy: 1.849393063413509
Energy: 1.7608158218917087
Energy: 1.8493930634075755
Energy: 1.361504393033781
Energy: 1.7514733086298446
Energy: 1.299205763613549
Energy: 1.7514733040069337
Energy: 1.410024646334819
Energy: 1.4131989975840533
Energy: 1.8177268962257493
Energy: 1.4131989975840533
Energy: 1.4986171408730784
Energy: 1.3783893329473815
Energy: 1.6648612043973547
Energy: 1.3783893329473815
Energy: 1.6450910234198006
Energy: 1.9526001806466668
Energy: 1.4643930744761178
Energy: 1.9526001806466668
Energy: 1.5312029761928188
Energy: 1.7786764098684587
Energy: 1.8768359901214926
Energy: 1.7786764098684587

minimum gb energy = 1.299205763613549 eV
minimum distance =  2.33541282512041 Angstroms
sigma value = 17


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

Energy: 1.5462369253944401
Energy: 1.7160364235724328
Energy: 1.5139129563146434
Energy: 1.716036423573273
Energy: 1.976794869889358
Energy: 1.6427113605448889
Energy: 1.5149734781465514
Energy: 1.6427113605457286
Energy: 1.5876968062765318
Energy: 1.5629739048408187
Energy: 1.5175788095208256
Energy: 1.5629739048408187
Energy: 1.6644665048520848
Energy: 1.8457884945219425
Energy: 1.4052680299808304
Energy: 1.845788494526105
Energy: 1.9100907967642073
Energy: 1.746611341190277
Energy: 1.6598889902393563
Energy: 1.7466113412062005
Energy: 1.6028498657618964
Energy: 1.7651529712622842
Energy: 1.664837599128893
Energy: 1.7651529712614444
Energy: 1.6582597946025714
Energy: 1.624441701241542
Energy: 1.570807247720858
Energy: 1.624441701240702
Energy: 1.660816398263426
Energy: 1.5970400003804182
Energy: 1.6616502377789852
Energy: 1.5970400003745757
Energy: 1.7154308094506916
Energy: 1.676022474829701
Energy: 1.7936453428786663
Energy: 1.6760224748347414
Energy: 1.8340235847150455
Energy: 2.026864340980198
Energy: 1.556864017977653
Energy: 2.026864340980198
Energy: 1.4253195051799405
Energy: 1.6485866054910734
Energy: 1.7359037649801878
Energy: 1.6485866054826728
Energy: 1.7063172157730198
Energy: 1.5509158291498941
Energy: 1.7869886343161963
Energy: 1.5509158291482137
Energy: 1.7474450764683938
Energy: 1.7154541874215095
Energy: 1.5354895672027575
Energy: 1.7154541874215095
Energy: 1.414279002591071
Energy: 1.8813443848504183
Energy: 1.756588582226275
Energy: 1.8813443848462181
Energy: 1.6787831344493973
Energy: 1.687630775768848
Energy: 1.774849456170024
Energy: 1.687630775768848
Energy: 1.6145637626663623
Energy: 1.6604339989963044
Energy: 1.4677645529611076
Energy: 1.6604339989954644
Energy: 1.5674702944889707
Energy: 1.6494471422998478
Energy: 1.855434382758183
Energy: 1.6494471423065682
Energy: 1.630708746562369
Energy: 1.6727036760508192
Energy: 1.6082282960513783
Energy: 1.6727036760533396
Energy: 1.348776878177445
Energy: 1.595630705469288
Energy: 1.794925939446268
Energy: 1.595630705469288
Energy: 1.3575480863475224
Energy: 1.803976236933414
Energy: 1.6379839650413135
Energy: 1.8039762369317336
Energy: 1.539040112033994
Energy: 1.639058621330689
Energy: 1.5215170436380654
Energy: 1.639058621331529
Energy: 1.5988301821218642
Energy: 1.8432228625306757
Energy: 2.12998806523531
Energy: 1.8432228625306757
Energy: 1.4808433344469616
Energy: 1.7432638200260984
Energy: 1.5045880403119483
Energy: 1.7432638200260984
Energy: 1.6797887475900584
Energy: 1.5507035409921135
Energy: 1.8228140925474023
Energy: 1.5507035409921135
Energy: 1.639456058692743
Energy: 1.5922108174136274
Energy: 1.7252894146524371
Energy: 1.5922108174186678
Energy: 1.4391410255412973
Energy: 1.725499223489681
Energy: 1.5074182371602722
Energy: 1.725499223489681
Energy: 1.7883090668435468
Energy: 1.83218741023257
Energy: 1.932193290786383
Energy: 1.83218741023173
Energy: 1.4370854465123186
Energy: 1.7529018964419447
Energy: 1.5264877714528975
Energy: 1.7529018964419447
Energy: 1.8739670185662753
Energy: 1.8161019509854337
Energy: 1.6555800767077928
Energy: 1.8161019509854337
Energy: 1.675875842644607
Energy: 1.5125524729135833
Energy: 1.6442514524724847
Energy: 1.5125524729135833

minimum gb energy = 1.348776878177445 eV
minimum distance =  2.33435497222478 Angstroms
sigma value = 53


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

Energy: 1.4839740620250088
Energy: 1.4525271770394041
Energy: 1.3036019653365756
Energy: 1.4525271770394041
Energy: 1.8232077183345359
Energy: 1.6148322139077091
Energy: 1.783470818002143
Energy: 1.6148322139096432
Energy: 1.7449436093960573
Energy: 1.9120315089588444
Energy: 1.3560608368605613
Energy: 1.9120315089607784
Energy: 1.7425754184254916
Energy: 1.9192452694200917
Energy: 1.3596008477065658
Energy: 1.9192452694200917
Energy: 1.8223587788501694
Energy: 1.6487779147164627
Energy: 1.8331717043910414
Energy: 1.648777914718397
Energy: 1.4839740620250088
Energy: 1.4525271770394041
Energy: 1.7167232895151618
Energy: 1.4525271770394041
Energy: 1.8232077183345359
Energy: 1.614832213913467
Energy: 1.670453222697302
Energy: 1.614832213913467
Energy: 1.7449436093941233
Energy: 1.9120315089588444
Energy: 1.3560608368760336
Energy: 1.9120315089588444
Energy: 1.7425754184254916
Energy: 1.9192452694200917
Energy: 1.5300632903444016
Energy: 1.9192452694200917
Energy: 1.8223587788501694
Energy: 1.6487779147222648
Energy: 1.678502626608907
Energy: 1.6487779147241985
Energy: 1.4839740620269428
Energy: 1.4525271770394041
Energy: 1.848926474218666
Energy: 1.4525271770394041
Energy: 1.8232077183345359
Energy: 1.614832213903841
Energy: 1.670453222697302
Energy: 1.614832213903841
Energy: 1.7449436093941233
Energy: 1.9120315089607784
Energy: 1.3560608368644296
Energy: 1.9120315089588444

minimum gb energy = 1.3036019653365756 eV
minimum distance =  2.31691704799904 Angstroms
sigma value = 9


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

Energy: 1.7592867570473512
Energy: 1.6470332838855395
Energy: 1.5888549190179984
Energy: 1.6470332838855395
Energy: 1.9672748124641892
Energy: 1.7266071661523952
Energy: 1.6003820074425827
Energy: 1.726607166153111
Energy: 1.6632198211225788
Energy: 1.8411902848617956
Energy: 1.5848528958316352
Energy: 1.8411902848617956
Energy: 1.6932525863662293
Energy: 1.751433628926975
Energy: 1.4745809292320715
Energy: 1.751433628926975
Energy: 1.87227540492353
Energy: 1.7048342188423187
Energy: 1.5502909191401224
Energy: 1.7048342188423187
Energy: 1.4761632396397364
Energy: 1.6468982838482058
Energy: 1.6731386068105778
Energy: 1.6468982838489215
Energy: 1.9269808673498836
Energy: 1.746819095654321
Energy: 1.5617908725079643
Energy: 1.746819095654321
Energy: 1.6624911284399309
Energy: 1.7816625027908362
Energy: 1.712029708519929
Energy: 1.7816625027908362
Energy: 1.6688903214086876
Energy: 1.7052929833818844
Energy: 1.5813515753403902
Energy: 1.7052929833818844
Energy: 1.7639910963416308
Energy: 1.8155437210082446
Energy: 1.7648855156171914
Energy: 1.8155437210082446
Energy: 1.589024684980404
Energy: 1.7240371464044002
Energy: 1.7029883098694023
Energy: 1.7240371464044002
Energy: 1.760722706781341
Energy: 1.8547550544782558
Energy: 1.4305934470218415
Energy: 1.8547550544782558
Energy: 1.4379614236000853
Energy: 1.8598918540732223
Energy: 1.765966887382169
Energy: 1.8598918540732223
Energy: 1.7331320424330023
Energy: 1.6221862280396389
Energy: 1.6407016628347413
Energy: 1.6221862280403545
Energy: 1.7848071197700501
Energy: 1.8620967608590329
Energy: 1.7529057042117353
Energy: 1.8620967608590329
Energy: 1.389218411350504
Energy: 1.7408837074332408
Energy: 1.5627596126607768
Energy: 1.7408837074332408
Energy: 1.7010717540083211
Energy: 1.940654809296248
Energy: 1.6585720318087027
Energy: 1.940654809296248
Energy: 1.550229132669834
Energy: 1.603813808503088
Energy: 1.8326737379711135
Energy: 1.6038138085023719
Energy: 1.6708924193361325
Energy: 1.7364119447714954
Energy: 1.5983339657289457
Energy: 1.7364119447693478
Energy: 1.5165710216226167
Energy: 1.81638895012173
Energy: 1.842538137081544
Energy: 1.81638895012173
Energy: 1.5673754155699609
Energy: 1.679596591323074
Energy: 1.6643376202405444
Energy: 1.679596591323074
Energy: 1.959869485706309
Energy: 1.9302378779201323
Energy: 1.6740299886393522
Energy: 1.9302378779201323
Energy: 1.5890304274987221
Energy: 1.6636232085811615
Energy: 1.8084972118785083
Energy: 1.6636232085811615
Energy: 1.6766036253946297
Energy: 1.5936903031991714
Energy: 1.591166958613514
Energy: 1.5936903031991714
Energy: 1.63030745613448
Energy: 1.8212786271070291
Energy: 2.0844977613592044
Energy: 1.8212786271070291
Energy: 1.5268257454323773
Energy: 1.6312443806159402
Energy: 1.5394243199412176
Energy: 1.6312443806159402
Energy: 1.6331326598989817
Energy: 1.7822072010742407
Energy: 1.698289470938561
Energy: 1.782207201073525
Energy: 1.6853967836364405
Energy: 1.8140940470712268
Energy: 1.8118635927719924
Energy: 1.8140940470712268
Energy: 1.6079644988555064
Energy: 1.678614069845033
Energy: 1.5446342799287345
Energy: 1.6786140698443168
Energy: 1.622760079777545
Energy: 1.8139756978246164
Energy: 2.072377824038571
Energy: 1.8139756978246164
Energy: 1.5602630235932597
Energy: 1.5770143231228186
Energy: 1.5862409315676482
Energy: 1.5770143231235343
Energy: 1.574698520737448
Energy: 1.6588042687398015
Energy: 1.7956116976881233
Energy: 1.6588042687398015
Energy: 1.6027951953574293
Energy: 1.9093161929064537
Energy: 1.6672572381058814
Energy: 1.9093161929064537
Energy: 1.553246074867784
Energy: 1.7099904211518375
Energy: 1.5958636712744025
Energy: 1.7099904211518375
Energy: 1.4322598969174567
Energy: 1.8812796924888044
Energy: 1.996335743005856
Energy: 1.8812796924888044

minimum gb energy = 1.389218411350504 eV
minimum distance =  2.34173814952197 Angstroms
sigma value = 73


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

Energy: 1.5193382269885798
Energy: 1.5793583058142286
Energy: 1.6422203293413724
Energy: 1.5793583058142286
Energy: 1.8903739957302421
Energy: 1.735699900273611
Energy: 1.611890958495782
Energy: 1.735699900273611
Energy: 1.7117176326850563
Energy: 1.869863373099243
Energy: 1.5148543169681408
Energy: 1.869863373099243
Energy: 1.6135183912329787
Energy: 1.7616698636997374
Energy: 1.5041131820657796
Energy: 1.7616698636997374
Energy: 1.580993545779196
Energy: 1.6292664968284218
Energy: 1.6479891656835424
Energy: 1.6292664968284218
Energy: 1.6177454479825149
Energy: 1.6678778319343652
Energy: 1.5924958649752206
Energy: 1.6678778319491034
Energy: 1.9090536586866307
Energy: 1.7478607416868133
Energy: 1.5587364689375824
Energy: 1.7478607416868133
Energy: 1.3434143586500344
Energy: 1.726498481566696
Energy: 1.6099892232124142
Energy: 1.7264984815701032
Energy: 1.730687033307801
Energy: 1.589278799902766
Energy: 1.4043350620426303
Energy: 1.589278799902766
Energy: 1.9094473038796191
Energy: 1.8570846854273462
Energy: 1.8584142999632642
Energy: 1.8570846854273462
Energy: 1.4357838000150849
Energy: 1.6530253388701897
Energy: 1.6914531352786795
Energy: 1.6530253388701897
Energy: 1.6826956831687299
Energy: 1.7983673778447942
Energy: 1.4027876198810578
Energy: 1.7983673778447942
Energy: 1.5105536370090251
Energy: 1.6234433106021693
Energy: 1.921366550258564
Energy: 1.6234433106021693
Energy: 1.658434759539534
Energy: 1.5714221405546671
Energy: 1.6282987225364596
Energy: 1.5714221405546671
Energy: 1.5074099274479678
Energy: 1.7999409727047044
Energy: 1.7293924245201235
Energy: 1.7999409727081115
Energy: 1.8169690018631486
Energy: 1.7932143830249139
Energy: 1.4746609843094285
Energy: 1.7932143830249139
Energy: 1.7157462111192725
Energy: 1.9272948346388612
Energy: 1.8110538731402854
Energy: 1.9272948346388612
Energy: 1.675060901918007
Energy: 1.624368521699214
Energy: 1.900624619974122
Energy: 1.6243685216980788
Energy: 1.5459599748075132
Energy: 1.5969278166955385
Energy: 1.557819162749485
Energy: 1.5969278166955385
Energy: 1.6589326477505792
Energy: 2.0116062828561536
Energy: 1.9473256537479624
Energy: 2.0116062828561536
Energy: 1.6882960978921164
Energy: 1.6977556684467456
Energy: 1.6111092600502113
Energy: 1.6977556684467456
Energy: 1.5394334429575218
Energy: 1.7247581667579104
Energy: 1.8527355840733282
Energy: 1.7247581667579104

minimum gb energy = 1.3434143586500344 eV
minimum distance =  2.33872389460954 Angstroms
sigma value = 7


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

Energy: 1.5316454708143878
Energy: 1.5093709826415072
Energy: 1.7220278013433437
Energy: 1.5093709826415072
Energy: 1.7320055237625565
Energy: 1.9277554699955006
Energy: 1.583034198698191
Energy: 1.9277554699963035
Energy: 1.446758717331141
Energy: 1.8796467065154348
Energy: 1.4932498032733272
Energy: 1.8796467065154348
Energy: 1.6501778702674719
Energy: 1.723317779868506
Energy: 1.6345311149798993
Energy: 1.723317779868506
Energy: 1.589132657138626
Energy: 1.6903965037033342
Energy: 1.5905298577246723
Energy: 1.6903965037025313
Energy: 1.3477594988567219
Energy: 1.7610531607972537
Energy: 1.6607765416945102
Energy: 1.7610531607964506
Energy: 1.861801103625278
Energy: 1.799966599915717
Energy: 1.5877747349529483
Energy: 1.799966599914914
Energy: 1.34910736372779
Energy: 1.6795889117448013
Energy: 1.6649839834337394
Energy: 1.6795889117448013
Energy: 1.9143706913783838
Energy: 1.536162512644168
Energy: 1.484645753931445
Energy: 1.536162512644168
Energy: 1.443810910034006
Energy: 1.968037090918635
Energy: 1.8784385452155747
Energy: 1.968037090918635
Energy: 1.6798495058909724
Energy: 1.7579717082047739
Energy: 1.475780185247067
Energy: 1.7579717082047739
Energy: 1.749450060583086
Energy: 1.7537639638163096
Energy: 1.7774769227703588
Energy: 1.7537639638163096
Energy: 1.565804509849313
Energy: 1.6391887970089698
Energy: 1.8481889517374208
Energy: 1.6391887970089698
Energy: 1.4995293290578178
Energy: 1.6540831348290708
Energy: 1.592535341440515
Energy: 1.6540831348290708
Energy: 1.5025966893171976
Energy: 1.7503646770210413
Energy: 1.8526567269325172
Energy: 1.7503646770210413
Energy: 1.663197003819018
Energy: 1.549761414862395
Energy: 1.5166327462002323
Energy: 1.5497614148631982
Energy: 1.474229382789892
Energy: 1.5747637115934427
Energy: 1.8433178284365002
Energy: 1.5747637115934427
Energy: 1.6664196758020033
Energy: 1.7450820058615373
Energy: 1.6638200084814776
Energy: 1.7450820058615373
Energy: 1.4520760637119046
Energy: 1.7829758526420487
Energy: 1.7217210020093456
Energy: 1.7829758526420487
Energy: 1.4380191084545242
Energy: 1.7590419033950095
Energy: 1.7350933935457453
Energy: 1.7590419033950095
Energy: 1.798806405596138
Energy: 1.6904228375555361
Energy: 1.4731816990750974
Energy: 1.6904228375555361
Energy: 1.4982522280883497
Energy: 1.876211375493399
Energy: 1.691090076238743
Energy: 1.876211375493399
Energy: 1.9031376107896312
Energy: 1.7040848055696616
Energy: 1.5335981582813698
Energy: 1.7040848055696616
Energy: 1.4390295761273069
Energy: 1.6024691857166518
Energy: 1.7078777810992611
Energy: 1.6024691857166518
Energy: 1.9341586602139036
Energy: 1.7087637428445248
Energy: 1.600467331466619
Energy: 1.708763742843722
Energy: 1.5610959134359597
Energy: 1.8396326425153464
Energy: 1.5657306384607472
Energy: 1.8396326425153464
Energy: 1.5426157286284716
Energy: 1.9157360378767363
Energy: 1.6810465022781793
Energy: 1.9157360378767363
Energy: 1.6704113113405261
Energy: 1.6666666368506446
Energy: 1.6333637292115077
Energy: 1.6666666368506446
Energy: 1.3581090646257041
Energy: 1.7557957287824077
Energy: 1.580593902354265
Energy: 1.7557957287824077
Energy: 1.6210581455194695
Energy: 2.119014934238497
Energy: 1.6325623004135577
Energy: 2.119014934238497
Energy: 1.3606995689497288
Energy: 1.7668267131651387
Energy: 1.498916309961647
Energy: 1.7668267131643356

minimum gb energy = 1.3477594988567219 eV
minimum distance =  2.33955075017799 Angstroms
sigma value = 29


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

Energy: 1.5522569944824491
Energy: 1.248795827565323
Energy: 1.5531250290121483
Energy: 1.2487958275650433
Energy: 1.5970887154196707
Energy: 1.8464956507259083
Energy: 1.778209366351915
Energy: 1.8464956507259083
Energy: 1.4620198218723894
Energy: 1.7573097995082358
Energy: 1.495480417852124
Energy: 1.7573097995085154
Energy: 1.8357528269384509
Energy: 1.617709984437874
Energy: 1.5532210055204287
Energy: 1.6177099844457994
Energy: 1.7774036889123597
Energy: 1.341182857295716
Energy: 1.8249208635612892
Energy: 1.3411828572954365
Energy: 1.6127738742270894
Energy: 1.9847327821646674
Energy: 1.6892934138362912
Energy: 1.984732782164108
Energy: 1.3268183744975413
Energy: 1.3412198192834899
Energy: 1.7772381185842494
Energy: 1.341219819284298
Energy: 1.562069326668505
Energy: 1.6206948109738284
Energy: 1.7964397573264153
Energy: 1.6206948109721808
Energy: 1.4996102211623084
Energy: 1.7438108895163553
Energy: 1.519285154011113
Energy: 1.743810889516635

minimum gb energy = 1.2487958275650433 eV
minimum distance =  2.37971869342877 Angstroms
sigma value = 5


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

Energy: 1.620962764048072
Energy: 1.6736899267922565
Energy: 1.7556811470638654
Energy: 1.6736899267914978
Energy: 1.7906684271730793
Energy: 1.6580081040324954
Energy: 1.5273251594347914
Energy: 1.6580081040317367
Energy: 1.4014762002654535
Energy: 1.656607508699625
Energy: 1.7155873785305233
Energy: 1.656607508699625
Energy: 1.5347382821614386
Energy: 1.6035155689768044
Energy: 1.7246940088116758
Energy: 1.6035155689798388
Energy: 1.5522352380022877
Energy: 1.8678132788110973
Energy: 1.6725391823817073
Energy: 1.8678132788110973
Energy: 1.5673080130705042
Energy: 1.848845714095436
Energy: 1.5648389688418198
Energy: 1.848845714095436
Energy: 1.4732179094943791
Energy: 1.6498823807948928
Energy: 1.5988362748188778
Energy: 1.6498823807933758
Energy: 1.5522144375398481
Energy: 1.8401036646242188
Energy: 1.5460902073507499
Energy: 1.8401036646234603
Energy: 1.7106513471095803
Energy: 1.8403585317769935
Energy: 1.409923447844165
Energy: 1.8403585317777522
Energy: 1.6909680122207946
Energy: 1.6988844257078708
Energy: 1.5163066916624437
Energy: 1.6988844257078708
Energy: 1.4884198561346778
Energy: 1.8253590551862924
Energy: 1.4485765421364298
Energy: 1.8253590551855339
Energy: 1.4436635731301148
Energy: 1.6047565657974008
Energy: 1.8001735558465133
Energy: 1.6047565657996763
Energy: 1.9230669072037303
Energy: 1.6975020918039454
Energy: 1.66166815280006
Energy: 1.6975020918039454
Energy: 1.6430356966554558
Energy: 1.8769245453077839
Energy: 1.7258461354598995
Energy: 1.8769245453077839
Energy: 1.841515918240957
Energy: 1.6928542187669682
Energy: 1.4381633914735683
Energy: 1.6928542187669682
Energy: 1.5523055824657612
Energy: 1.6150381869366115
Energy: 1.6951289269477225
Energy: 1.6150381869366115
Energy: 1.6832456403840712
Energy: 1.5809747564390702
Energy: 1.5593318552607172
Energy: 1.5809747564390702
Energy: 1.6347698444119891
Energy: 1.7721849530451432
Energy: 1.6262142007072438
Energy: 1.7721849530451432
Energy: 1.6354549464529493
Energy: 1.6423490534941696
Energy: 1.4947097926846298
Energy: 1.6423490534941696
Energy: 1.4277385852367903
Energy: 1.902255514556004
Energy: 1.7563186686699361
Energy: 1.9022555145544868
Energy: 1.5149727780306037
Energy: 1.706570684714875
Energy: 1.796404925380896
Energy: 1.7065706847156334
Energy: 1.5643229233414258
Energy: 1.795896343700849
Energy: 1.6978973219745792
Energy: 1.795896343700849
Energy: 1.6034962912860637
Energy: 1.85427656716743
Energy: 1.3385351969182595
Energy: 1.85427656716743
Energy: 1.7869892991022467
Energy: 1.7515250347768845
Energy: 1.4940152135357567
Energy: 1.7515250347753675
Energy: 1.7208284643560354
Energy: 1.7867268723870402
Energy: 1.616158141229071
Energy: 1.7867268723870402
Energy: 1.7269072381980173
Energy: 1.900168739681256
Energy: 1.6229052803090773
Energy: 1.900168739681256
Energy: 1.6069657478774262
Energy: 1.6034500309197104
Energy: 1.7655805774514257
Energy: 1.6034500309197104
Energy: 1.7900751151441376
Energy: 1.7562178022763153
Energy: 1.5529936304658696
Energy: 1.7562178022770738
Energy: 1.5204207538500516
Energy: 1.6406464704483914
Energy: 1.745051946018275
Energy: 1.6406464704499084
Energy: 1.6752904293731123
Energy: 1.7204569005230963
Energy: 1.5218221551136382
Energy: 1.7204569005230963
Energy: 1.5313414959355012
Energy: 1.5898393452234056
Energy: 1.794151118925598
Energy: 1.5898393452226471
Energy: 1.8016650802304583
Energy: 1.6425261463844592
Energy: 1.411923918460253
Energy: 1.6425261463859764
Energy: 1.6130539284496084
Energy: 1.7173217231340427
Energy: 1.758010662927557
Energy: 1.7173217231355598

minimum gb energy = 1.3385351969182595 eV
minimum distance =  2.32832737421543 Angstroms
sigma value = 1


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

Energy: 1.4591749479150555
Energy: 1.7151109968861709
Energy: 1.7197695562667321
Energy: 1.7151109968851221
Energy: 1.685128950151986
Energy: 1.7123807968491649
Energy: 1.4611999589516274
Energy: 1.7123807968481162
Energy: 1.274249736915692
Energy: 1.818814549488478
Energy: 1.4220888016464528
Energy: 1.818814549488478
Energy: 1.6744525124252079
Energy: 1.657726633503021
Energy: 1.5559011940122462
Energy: 1.657726633501972
Energy: 1.4113537277046564
Energy: 1.7749477597450682
Energy: 1.63960858346619
Energy: 1.7749477597450682
Energy: 1.5889398885347006
Energy: 1.7535021422286206
Energy: 1.6527797476431159
Energy: 1.7535021422286206
Energy: 1.4734377521905184
Energy: 1.676323591208104
Energy: 1.63766807226244
Energy: 1.676323591208104
Energy: 1.5928385862401535
Energy: 1.7748361763054448
Energy: 1.5877887746704593
Energy: 1.7748361763054448
Energy: 1.6686468619671633
Energy: 1.5627798812032967
Energy: 1.5923732181969512
Energy: 1.5627798812032967
Energy: 1.7140698064822164
Energy: 1.7954773964033268
Energy: 1.5776134839227953
Energy: 1.7954773964033268
Energy: 1.5870454864557058
Energy: 1.7825601486429525
Energy: 1.4533708517406634
Energy: 1.7825601486429525
Energy: 1.4157847904176386
Energy: 1.7480821252247374
Energy: 1.48813542650253
Energy: 1.7480821252247374
Energy: 1.6555907747318828
Energy: 1.747231847851013
Energy: 1.6510253448837635
Energy: 1.747231847851013
Energy: 1.2482000522894632
Energy: 1.7689100558516566
Energy: 1.6265054014832112
Energy: 1.7689100558516566
Energy: 1.5405268823718778
Energy: 1.70258389274179
Energy: 1.5444290721619849
Energy: 1.70258389274179
Energy: 1.2181242185289427
Energy: 1.7427162063838717
Energy: 1.6293024814451509
Energy: 1.7427162063838717
Energy: 1.6399944602865795
Energy: 1.8201227330979717
Energy: 1.442337355340383
Energy: 1.8201227330958742
Energy: 1.459174947943351
Energy: 1.7151109968368983
Energy: 1.6638812225461186
Energy: 1.7151109968274587
Energy: 1.6851289500356341
Energy: 1.7123807968491649
Energy: 1.4611999589516274
Energy: 1.7123807968491649
Energy: 1.2742497369167411
Energy: 1.818814549489527
Energy: 1.4220888016443551
Energy: 1.818814549489527
Energy: 1.674452512424159
Energy: 1.657726633501972
Energy: 1.5559011940132952
Energy: 1.657726633501972
Energy: 1.4113537277046564
Energy: 1.7749477597450682
Energy: 1.63960858346619
Energy: 1.7749477597450682
Energy: 1.5889398885378474
Energy: 1.7535021422286206
Energy: 1.652779747605357
Energy: 1.7535021422286206
Energy: 1.4734377521905184
Energy: 1.676323591208104
Energy: 1.6112274796644492
Energy: 1.676323591208104

minimum gb energy = 1.2181242185289427 eV
minimum distance =  2.32678907249676 Angstroms
sigma value = 17


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

Energy: 1.5795684806435115
Energy: 1.7480187249590062
Energy: 1.712030507181925
Energy: 1.7480187249758028
Energy: 1.7594053298619414
Energy: 1.701473058716684
Energy: 1.5597520386124226
Energy: 1.7014730587160356
Energy: 1.3531465372899254
Energy: 1.7001348362570816
Energy: 1.7380120413029025
Energy: 1.70013483625773
Energy: 1.62470580037314
Energy: 1.640346587992975
Energy: 1.5634577768920672
Energy: 1.640346587992327
Energy: 1.3192727881084456
Energy: 1.8153133804232473
Energy: 1.6898341529670207
Energy: 1.815313380566458
Energy: 1.5957186162972192
Energy: 1.8558051553686759
Energy: 1.8620511985445083
Energy: 1.8558051553693242
Energy: 1.5100570230192434
Energy: 1.6472190054341616
Energy: 1.6188439926903921
Energy: 1.6472190054348097
Energy: 1.5064084817190504
Energy: 1.820437737854519
Energy: 1.474808590048866
Energy: 1.820437737854519
Energy: 1.622635925165199
Energy: 1.6449148323294411
Energy: 1.6107359407883766
Energy: 1.6449148323307377
Energy: 1.7483911692651222
Energy: 1.8635623964580856
Energy: 1.6741352877520441
Energy: 1.8635623964574373
Energy: 1.6336321022907347
Energy: 1.7368254894713753
Energy: 1.552375558218293
Energy: 1.7368254894713753
Energy: 1.709832536439612
Energy: 1.7446419889204277
Energy: 1.5342260346750594
Energy: 1.7446419889197795
Energy: 1.6065701826374008
Energy: 1.8637729422276863
Energy: 1.6899766377860808
Energy: 1.8637729422283345
Energy: 1.3855542326935446
Energy: 1.8505174028470779
Energy: 1.6437650953088225
Energy: 1.8505174028477263
Energy: 1.7418300931203579
Energy: 1.77810429664624
Energy: 1.6726148540418273
Energy: 1.77810429664624
Energy: 1.531760663741569
Energy: 1.8216918864353244
Energy: 1.7531530325404667
Energy: 1.821691886434028
Energy: 1.6797866256546425
Energy: 1.6274747994442642
Energy: 1.5437953150034394
Energy: 1.6274747994449126
Energy: 1.4350794377546678
Energy: 1.8855566494685914
Energy: 1.6272679672482229
Energy: 1.8855566494685914
Energy: 1.6464093908577238
Energy: 1.766266308341997
Energy: 1.489949267646814
Energy: 1.766266308342645
Energy: 1.7261311050854844
Energy: 1.6563483268276091
Energy: 1.6473978733351093
Energy: 1.6563483268276091
Energy: 1.7746954124419783
Energy: 1.7202218595039898
Energy: 1.5608848100037571
Energy: 1.7202218595026932
Energy: 1.386575748380993
Energy: 1.725656352789849
Energy: 1.7933528510892724
Energy: 1.7256563527892006
Energy: 1.5761537489571518
Energy: 1.714009007100868
Energy: 1.766285516915829
Energy: 1.714009007100868
Energy: 1.5690012551371695
Energy: 1.725796247557276
Energy: 1.6893962500293236
Energy: 1.7257962475579243
Energy: 1.7461278364922423
Energy: 1.9178629666091784
Energy: 1.5864696795175817
Energy: 1.9178629666091784
Energy: 1.491205297604451
Energy: 1.6481360962888507
Energy: 1.621905584656903
Energy: 1.6481360963549163
Energy: 1.7567167548036222
Energy: 1.9644190824971528
Energy: 1.6042806456119827
Energy: 1.9644190824984493
Energy: 1.7179789145995579
Energy: 1.8135078534829732
Energy: 1.580425361453384
Energy: 1.8135078534829732
Energy: 1.6538513015225198
Energy: 1.8781932052466999
Energy: 1.5214514331922941
Energy: 1.8781932052473482
Energy: 1.6813594131690277
Energy: 1.8772727710896098
Energy: 1.4748790882851857
Energy: 1.8772727710896098
Energy: 1.5567294472584523
Energy: 1.7646877261632885
Energy: 1.7165031020778618
Energy: 1.7646877261626401
Energy: 1.5390378842890435
Energy: 1.75136508576366
Energy: 1.632693123548911
Energy: 1.75136508576366
Energy: 1.7084214582772181
Energy: 1.929388293362753
Energy: 1.6957899339414844
Energy: 1.929388293362753
Energy: 1.6257884073610653
Energy: 1.6184483013480933
Energy: 1.640557303971027
Energy: 1.6184483013765587
Energy: 1.4119282099875528
Energy: 1.9488883188868937
Energy: 1.6320059530507967
Energy: 1.9488883188862456
Energy: 1.682800760747277
Energy: 1.7199527786729571
Energy: 1.585960776494377
Energy: 1.7199527786729571
Energy: 1.817256544211271
Energy: 1.7557018140863687
Energy: 1.646519944892525
Energy: 1.7557018140863687
Energy: 1.7076472570283645
Energy: 1.7832969351340169
Energy: 1.4279099106450404
Energy: 1.7832969351327204

minimum gb energy = 1.3192727881084456 eV
minimum distance =  2.33733745700474 Angstroms
sigma value = 89


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

Energy: 1.750506127809455
Energy: 1.6794940015304296
Energy: 1.902112917316169
Energy: 1.6794940015287332
Energy: 1.5776962505362107
Energy: 1.6275138197574512
Energy: 1.4763636053898117
Energy: 1.6275138197574512
Energy: 1.2145249507862597
Energy: 1.9316272797993075
Energy: 1.5352577964022205
Energy: 1.9316272804961505
Energy: 1.5265632112533656
Energy: 1.790267878573011
Energy: 1.2056541667154734
Energy: 1.7902678785780997
Energy: 1.4875004960146292
Energy: 1.6549404591872943
Energy: 1.4655612574023624
Energy: 1.6549404592313963
Energy: 1.6547264115954394
Energy: 1.7790276671175438
Energy: 1.3845881657039782
Energy: 1.7790276671175438
Energy: 1.3785980957851298
Energy: 1.6052957984253629
Energy: 1.5185309984193096
Energy: 1.6052957986271372
Energy: 1.3905514869514386
Energy: 2.056207533242162
Energy: 1.3099062150243725
Energy: 2.056207533547368
Energy: 1.5734510025198138
Energy: 1.5736729173900692
Energy: 1.4380228050703303
Energy: 1.5736729173900692
Energy: 1.5613008128234631
Energy: 2.00390235804952
Energy: 1.6946681621109698
Energy: 2.0039023580478235
Energy: 1.3841682531815522
Energy: 1.677647085942296
Energy: 1.5418397953677099
Energy: 1.6776470859405996
Energy: 1.475388463349646
Energy: 1.7544992279085274
Energy: 1.5258786558035125
Energy: 1.7544992279085274
Energy: 1.3656245839965557
Energy: 1.717985887429758
Energy: 1.3490419347167664
Energy: 1.717985887429758
Energy: 1.4890897489263821
Energy: 1.7569046959803827
Energy: 1.4995081437175584
Energy: 1.7569046959803827
Energy: 1.6914459560684552
Energy: 1.7111163968572816
Energy: 1.3546306242102875
Energy: 1.7111163968555854

minimum gb energy = 1.2056541667154734 eV
minimum distance =  2.2963922745399 Angstroms
sigma value = 13


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

Energy: 1.7547534506724551
Energy: 1.6880341752992694
Energy: 1.64273500486275
Energy: 1.6880341752865367
Energy: 1.5554936094360199
Energy: 1.7416153639377518
Energy: 1.1969809609140103
Energy: 1.7416153639363297
Energy: 1.5318203747487713
Energy: 1.7703698241382662
Energy: 1.6168692604308403
Energy: 1.7703698241382662
Energy: 1.4589511849216987
Energy: 1.7272592609354005
Energy: 1.2023479836463595
Energy: 1.7272592609361117
Energy: 1.5028905892599613
Energy: 1.7044713305205774
Energy: 1.5733178249691537
Energy: 1.7044713305205774
Energy: 1.6409766349813082
Energy: 1.8210372189197017
Energy: 1.4306196103217013
Energy: 1.8210372189197017
Energy: 1.534409447095615
Energy: 1.6084008253975475
Energy: 1.5408855306619114
Energy: 1.6084008251601536
Energy: 1.5950937546168689
Energy: 1.8816848751520798
Energy: 1.4135455172449487
Energy: 1.8816848751513693
Energy: 1.5023367074069562
Energy: 1.662970171462218
Energy: 1.512938283955204
Energy: 1.662970171465062
Energy: 1.5346223163799508
Energy: 1.9426958679643924
Energy: 1.3640829705676458
Energy: 1.9426958679643924
Energy: 1.4609504455171811
Energy: 1.8197826709399927
Energy: 1.5313275647935973
Energy: 1.8197826709385707
Energy: 1.6225930823102863
Energy: 1.8723203536564352
Energy: 1.417984856176884
Energy: 1.872320353707624
Energy: 1.5918397532784092
Energy: 1.822215724354711
Energy: 1.5852326876678358
Energy: 1.822215724354711
Energy: 1.5845396763058466
Energy: 1.8860050116720368
Energy: 1.465556254010846
Energy: 1.8860050116727478
Energy: 1.5356112243801987
Energy: 1.7762127048818523
Energy: 1.6041780945318627
Energy: 1.7762127048818523
Energy: 1.490866401374578
Energy: 1.7133936271481431
Energy: 1.369272820920218
Energy: 1.713393627148854
Energy: 1.4742448963607717
Energy: 1.8376919907341092
Energy: 1.4424908878372171
Energy: 1.8376919907341092
Energy: 1.6425760586538718
Energy: 1.8654141899314185
Energy: 1.545091757506768
Energy: 1.8654141899321295
Energy: 1.5992638710836957
Energy: 1.9411076449458606
Energy: 1.5375482510591214
Energy: 1.9411076449465714
Energy: 1.6039942700076828
Energy: 1.9706465711412144
Energy: 1.4981512360272444
Energy: 1.9706465711412144
Energy: 1.6402800169385041
Energy: 1.857382903548782
Energy: 1.485393162206835
Energy: 1.8573829035466494
Energy: 1.4715653758253493
Energy: 1.8380320291648136
Energy: 1.4359738792060985
Energy: 1.8380320291648136
Energy: 1.4843609850108244
Energy: 1.7721783719330901
Energy: 1.3740993791574367
Energy: 1.7721783719231365
Energy: 1.5995271287440622
Energy: 1.7713135223277328
Energy: 1.7059402688110645
Energy: 1.7713135223277328
Energy: 1.565532086992474
Energy: 1.8875364277698596
Energy: 1.4286733361188728
Energy: 1.8875364277698596
Energy: 1.6202910418813157
Energy: 1.8215389297248168
Energy: 1.7120785525161961
Energy: 1.821538929719905
Energy: 1.617772485907898
Energy: 1.9057105179812328
Energy: 1.3661779060762966
Energy: 1.905710517979811
Energy: 1.4624206761828813
Energy: 1.8290094442899074
Energy: 1.5726149391100102
Energy: 1.8290094442899074
Energy: 1.55991715238329
Energy: 1.945874256459718
Energy: 1.333868021915805
Energy: 1.945874256459718
Energy: 1.514393754913088
Energy: 1.6650152234855498
Energy: 1.5668858475924348
Energy: 1.6650152234848388
Energy: 1.598814346940237
Energy: 1.8596688388022058
Energy: 1.4311639592654197
Energy: 1.8596688388022058
Energy: 1.5166715202246877
Energy: 1.7659088235171156
Energy: 1.6278697802051945
Energy: 1.7659088235164049
Energy: 1.593971036783188
Energy: 1.800728232499472
Energy: 1.4281241794889912
Energy: 1.8007282324987612
Energy: 1.4556913912285974
Energy: 1.725925106930165
Energy: 1.5357240105999144
Energy: 1.725925106930165
Energy: 1.4511466561508433
Energy: 1.7512765873400107
Energy: 1.2099240816925376
Energy: 1.751276587340722

minimum gb energy = 1.1969809609140103 eV
minimum distance =  2.3369329675882 Angstroms
sigma value = 37


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

Energy: 1.4406303723415217
Energy: 1.8694916670939843
Energy: 1.6208004795798068
Energy: 1.8694916670939843
Energy: 1.5649480595488612
Energy: 1.644720672631414
Energy: 1.1569908112675804
Energy: 1.644720672631414
Energy: 1.4419091662967958
Energy: 1.6470964298834383
Energy: 1.6372262225051237
Energy: 1.6470964298846615
Energy: 1.5629508456195251
Energy: 1.7608012360857157
Energy: 1.0673921763151923
Energy: 1.7608012360857157
Energy: 1.1589912046518343
Energy: 1.721796353243263
Energy: 1.5612572132744236
Energy: 1.7217963532420397
Energy: 1.4085700357106141
Energy: 1.6172072344610757
Energy: 1.254984176938741
Energy: 1.6172072341456365
Energy: 1.394302310793921
Energy: 1.686381105400493
Energy: 1.4991383024357134
Energy: 1.686381105400493
Energy: 1.8117361041543747
Energy: 1.7883251213845703
Energy: 1.5259142693683112
Energy: 1.7883251213845703
Energy: 1.199630490473726
Energy: 1.5967495950190218
Energy: 1.4402841608918957
Energy: 1.5967495947696064
Energy: 1.343647836521295
Energy: 1.7066531793235347
Energy: 1.3454015305714007
Energy: 1.7066531793235347
Energy: 1.2133404878672347
Energy: 1.9036043336274149
Energy: 1.453294194672468
Energy: 1.9036043336274149
Energy: 1.4748704229621892
Energy: 1.916339866195648
Energy: 1.3533107863796592
Energy: 1.916339866195648
Energy: 1.247037458828902
Energy: 1.7847507775823979
Energy: 1.3689997431128742
Energy: 1.7847507775823979
Energy: 1.4806105274629076
Energy: 1.8892503672388163
Energy: 1.3312014874590294
Energy: 1.8892503672388163
Energy: 1.6152332382951542
Energy: 1.9321985186721897
Energy: 1.721688406985812
Energy: 1.9321985186734132
Energy: 1.524129488627326
Energy: 1.8650081814023078
Energy: 1.4886871366248855
Energy: 1.8650081814023078
Energy: 1.3722169329574867
Energy: 1.7381518065888606
Energy: 1.2608822655732361
Energy: 1.7381518065888606
Energy: 1.4909895309446761
Energy: 1.6789743407806892
Energy: 1.2871447021762723
Energy: 1.6789743407819127
Energy: 1.4503462943570373
Energy: 1.9696713122196394
Energy: 1.1664265344150313
Energy: 1.9696713122196394
Energy: 1.4293619963356134
Energy: 1.6981090898009432
Energy: 1.4646624989160433
Energy: 1.6981090898009432

minimum gb energy = 1.0673921763151923 eV
minimum distance =  2.33107278749017 Angstroms
sigma value = 25


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

Energy: 1.4711061568714763
Energy: 1.6006808620151558
Energy: 1.5840754855619357
Energy: 1.6006808620142006
Energy: 1.4638536384219367
Energy: 1.519322332215574
Energy: 1.1218312892394513
Energy: 1.5193223322050675
Energy: 1.284666093963437
Energy: 1.6544178046550013
Energy: 1.630336606740074
Energy: 1.6544178046559128
Energy: 1.5196326549040315
Energy: 1.5644438962494733
Energy: 1.2215653899923788
Energy: 1.564443895948736
Energy: 1.1982978123660701
Energy: 1.6235904146774667
Energy: 1.523073798162684
Energy: 1.6235904146774667
Energy: 1.4188692926244728
Energy: 1.7078762272299413
Energy: 1.1963875206767949
Energy: 1.707876227228986
Energy: 1.2086973063089403
Energy: 1.6600670295002489
Energy: 1.454491513829251
Energy: 1.6600670295002489
Energy: 1.364409204990617
Energy: 1.7728202370762085
Energy: 1.3129749252659222
Energy: 1.7728202370762085
Energy: 1.2784172708073893
Energy: 1.5553217619316664
Energy: 1.4315143403569561
Energy: 1.555321688563
Energy: 1.6743520528254023
Energy: 1.6022312466252284
Energy: 1.4052603209216996
Energy: 1.6022312484869183
Energy: 1.1574296557928838
Energy: 1.650005155911224
Energy: 1.4109286594681374
Energy: 1.650005155911224
Energy: 1.3761631272948396
Energy: 1.8079800610603292
Energy: 1.4034959629745745
Energy: 1.8079800610612844
Energy: 1.3040306171150737
Energy: 1.6508350530170561
Energy: 1.464112734777585
Energy: 1.6508352296072446
Energy: 1.3415797393649747
Energy: 1.7251058918795323
Energy: 1.1914003087699605
Energy: 1.7251058918795323
Energy: 1.1401498513982797
Energy: 1.7674312106804704
Energy: 1.324228178954639
Energy: 1.7674312106804704
Energy: 1.518056875038848
Energy: 1.821568217287974
Energy: 1.4368434353461639
Energy: 1.821568217287974
Energy: 1.3132567312527363
Energy: 1.780097331208776
Energy: 1.3681854806143414
Energy: 1.7800973312097312
Energy: 1.4210180911832968
Energy: 1.661320403528544
Energy: 1.2424635374285706
Energy: 1.6613204036603093
Energy: 1.3435035172144079
Energy: 1.678926746887756
Energy: 1.5267120661632188
Energy: 1.678926746888711
Energy: 1.4793037735073251
Energy: 1.758237807682682
Energy: 1.2808476788590688
Energy: 1.758237807682682
Energy: 1.263912653851113
Energy: 1.8298289842018185
Energy: 1.2320869629543314
Energy: 1.8298289842027737
Energy: 1.389317374536604
Energy: 1.84369988561473
Energy: 1.234825658386211
Energy: 1.84369988561473
Energy: 1.2601325481694123
Energy: 1.8391421836748427
Energy: 1.3309187295669511
Energy: 1.8391421836729325
Energy: 1.359163697931871
Energy: 1.7371407962711134
Energy: 1.295274997314159
Energy: 1.7371407962711134
Energy: 1.3223278397515121
Energy: 1.8570294021137763
Energy: 1.4898834404109427
Energy: 1.857029402111866
Energy: 1.3752827746099041
Energy: 1.7755969258359556
Energy: 1.241144624713443
Energy: 1.7755969258359556

minimum gb energy = 1.1218312892394513 eV
minimum distance =  2.33008774024521 Angstroms
sigma value = 41


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

Energy: 1.2064497203592204
Energy: 1.5600236045420288
Energy: 1.57257031903994
Energy: 1.560023604552209
Energy: 1.41721711584508
Energy: 1.5064328757607237
Energy: 1.053218495606449
Energy: 1.5064328757693375
Energy: 1.192473302326043
Energy: 1.4959516603695198
Energy: 1.662887192972679
Energy: 1.4959516603695198
Energy: 1.3359755014462558
Energy: 1.599817402935159
Energy: 1.041830800393674
Energy: 1.5998174029343761
Energy: 0.9566107071774463
Energy: 1.5968598189160894
Energy: 1.4626992612195107
Energy: 1.5968598189356655
Energy: 1.4562635451855448
Energy: 1.554375250821595
Energy: 0.8788728575586171
Energy: 1.554375250821595
Energy: 0.975825279689247
Energy: 1.5685957746679933
Energy: 1.4415410790104848
Energy: 1.568595774674258
Energy: 1.3902430406810822
Energy: 1.630695487448705
Energy: 0.9587954604001473
Energy: 1.6306954874494881
Energy: 1.0484935608432229
Energy: 1.5216460454763994
Energy: 1.381214130193291
Energy: 1.5216460454771823
Energy: 1.3071291574321102
Energy: 1.4692372231862034
Energy: 1.0719895270493354
Energy: 1.4692372231862034
Energy: 1.0638467755636636
Energy: 1.533989702175604
Energy: 1.4281193037054727
Energy: 1.533989702175604
Energy: 1.5967729311992012
Energy: 1.6386748060012855
Energy: 1.2271558893900736
Energy: 1.6386748060005025
Energy: 1.0526758678103867
Energy: 1.6000004160814443
Energy: 1.3865565096226296
Energy: 1.6000004160814443
Energy: 1.3040605241987735
Energy: 1.6057782771759457
Energy: 1.0766564872515092
Energy: 1.6057782771767286
Energy: 1.1431356023449615
Energy: 1.5976800778827083
Energy: 1.3441015807855272
Energy: 1.5976800778709623
Energy: 1.3338898090282454
Energy: 1.6832311379228924
Energy: 0.9942530700372813
Energy: 1.6832311379228924
Energy: 0.9530345941421371
Energy: 1.5987414918333491
Energy: 1.3310874849695964
Energy: 1.5987414918333491
Energy: 1.426677185047626
Energy: 1.6397961984024583
Energy: 0.9439519641914041
Energy: 1.6397961984032414
Energy: 1.0656433584714318
Energy: 1.701771134951917
Energy: 1.3263355442339295
Energy: 1.7017711349550493
Energy: 1.3262980988372088
Energy: 1.6255436515426471
Energy: 0.981585534377492
Energy: 1.6255436515724033
Energy: 1.1776879868003178
Energy: 1.7121777589326446
Energy: 1.2296689654178785
Energy: 1.7121777589326446
Energy: 1.411254722953256
Energy: 1.562643629453554
Energy: 1.0593699617827683
Energy: 1.5626436296907125
Energy: 1.3261673277074166
Energy: 1.6917676643885629
Energy: 1.521773725056541
Energy: 1.691767664123214
Energy: 1.3799083940656767
Energy: 1.6072078862934271
Energy: 1.1475161720817142
Energy: 1.6072078862934271
Energy: 1.1727097547193854
Energy: 1.6671628437495187
Energy: 1.4391141500983649
Energy: 1.6671628437495187
Energy: 1.3218672540795344
Energy: 1.65327281418487
Energy: 1.1404545314588797
Energy: 1.6532728141903512
Energy: 1.067111569993381
Energy: 1.8042058599967008
Energy: 1.3046348198585456
Energy: 1.8042058599967008
Energy: 1.2794134883430208
Energy: 1.7948609152156545
Energy: 1.0694986248121097
Energy: 1.7948609152156545
Energy: 0.9909746256705346
Energy: 1.6805347632483296
Energy: 1.357441164734136
Energy: 1.6805347632459804
Energy: 1.2706784924991987
Energy: 1.7665010244221777
Energy: 1.08323786552846
Energy: 1.7665010243924573
Energy: 0.9824788581488886
Energy: 1.8092938618439722
Energy: 1.426737733651696
Energy: 1.8092938618439722
Energy: 1.2477517171490702
Energy: 1.8212923700671015
Energy: 1.2863883447989504
Energy: 1.8212923700671015

minimum gb energy = 0.8788728575586171 eV
minimum distance =  2.30728367059835 Angstroms
sigma value = 15


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

Energy: 1.2802262311577337
Energy: 1.5027209556016272
Energy: 1.6225629670765966
Energy: 1.502720955602954
Energy: 1.3974980144963154
Energy: 1.4809488668768311
Energy: 1.0923908859294895
Energy: 1.4809488668801478
Energy: 1.0474083919221957
Energy: 1.46550939661746
Energy: 1.5607544316353377
Energy: 1.4655093966221033
Energy: 1.355389133821819
Energy: 1.483751946598426
Energy: 1.071315035288417
Energy: 1.4837519465964355
Energy: 1.0467651159281839
Energy: 1.4906898731835427
Energy: 1.487186851449695
Energy: 1.4906898731841456
Energy: 1.2739903567907593
Energy: 1.4953932154342893
Energy: 1.0234681297086015
Energy: 1.4953932154329626
Energy: 0.8613983746754295
Energy: 1.5551473906127926
Energy: 1.3615425264288334
Energy: 1.5551473906108026
Energy: 1.3477770768450297
Energy: 1.477765861224449
Energy: 0.9865179442947785
Energy: 1.4777658612237856
Energy: 1.096616793376576
Energy: 1.5810141034292675
Energy: 1.3683571873009728
Energy: 1.5810141034272776
Energy: 1.3181532342292086
Energy: 1.563921428910204
Energy: 0.9457949209817405
Energy: 1.563921428910204
Energy: 1.031936976713456
Energy: 1.499257638242709
Energy: 1.3520348260796413
Energy: 1.499257638242709
Energy: 1.288491947153858
Energy: 1.4673524970133904
Energy: 1.048619490407748
Energy: 1.4673524969974698
Energy: 1.0823679224933962
Energy: 1.5246543436546094
Energy: 1.4154174412736462
Energy: 1.5246543436473123
Energy: 1.5091876171908596
Energy: 1.4873961044848694
Energy: 1.2329375357241865
Energy: 1.4873961044888495
Energy: 1.0834801329254566
Energy: 1.5128761807934752
Energy: 1.4025580069207197
Energy: 1.5128761807941384
Energy: 1.2368287909067321
Energy: 1.5407742208794137
Energy: 1.0833394905254448
Energy: 1.5407742208787503
Energy: 1.0579961113868244
Energy: 1.5891899734941954
Energy: 1.3516703580718048
Energy: 1.5891899734935322
Energy: 1.282106379941432
Energy: 1.5607212500491536
Energy: 0.9501444550710624
Energy: 1.5607212500491536
Energy: 1.0222603099218237
Energy: 1.5731204911925407
Energy: 1.3169223131592087
Energy: 1.5731204911918775
Energy: 1.3618715722094779
Energy: 1.529268467012551
Energy: 0.9419571881647184
Energy: 1.5292684670198475
Energy: 1.0363745685449797
Energy: 1.6757946835360509
Energy: 1.3024853934418903
Energy: 1.6757946835367143
Energy: 1.2950432494474957
Energy: 1.6324099903909135
Energy: 0.960652587316582
Energy: 1.632409990391577
Energy: 0.999096674240409
Energy: 1.6189872145348378
Energy: 1.2679564834615782
Energy: 1.6189872145348378
Energy: 1.3393804241231824
Energy: 1.5271685088234206
Energy: 1.1127917409060644
Energy: 1.5271685088234206
Energy: 1.1758506595036955
Energy: 1.7190643505411363
Energy: 1.216246159338839
Energy: 1.7190643505477698
Energy: 1.365414635909213
Energy: 1.5550598120037433
Energy: 0.7991441300011978
Energy: 1.5550598120044068
Energy: 1.2748811043817272
Energy: 1.556100395965012
Energy: 1.5321770941838007
Energy: 1.5561003959643487
Energy: 1.3889514849228428
Energy: 1.478641220053383
Energy: 1.0155250406969838
Energy: 1.4786412200520564
Energy: 1.192283615043652
Energy: 1.7104485801163263
Energy: 1.3409651669203255
Energy: 1.7104485801169895
Energy: 1.325882417367172
Energy: 1.5776728827606008
Energy: 1.1204367432216007
Energy: 1.5776728853425686
Energy: 1.0651410451466308
Energy: 1.627619113446281
Energy: 1.2813894936679413
Energy: 1.6276191134456177
Energy: 1.2504518664013062
Energy: 1.6251826960780607
Energy: 1.186107053327475
Energy: 1.6251826960787241
Energy: 1.0473111747848574
Energy: 1.7651160014006406
Energy: 1.339599927940731
Energy: 1.7651160014006406
Energy: 1.28350635668515
Energy: 1.7425045284621734
Energy: 1.0660830145581068
Energy: 1.7425045284621734
Energy: 0.9396688464213812
Energy: 1.668774830638268
Energy: 1.3947220933153432
Energy: 1.6687748306369412
Energy: 1.191165953319794
Energy: 1.627575837472731
Energy: 1.1521865840656869
Energy: 1.6275758374396234
Energy: 1.0723789208182328
Energy: 1.5540523057164977
Energy: 1.4336750164740009
Energy: 1.5540523063536826

minimum gb energy = 0.7991441300011978 eV
minimum distance =  2.36244802580421 Angstroms
sigma value = 85


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

Energy: 1.1971729800986326
Energy: 1.518043224694316
Energy: 1.4121446125509254
Energy: 1.5180432246948914
Energy: 1.3809968769765808
Energy: 1.4720966352802476
Energy: 0.82109087140625
Energy: 1.4720966352802476
Energy: 1.0187000466976788
Energy: 1.4669906913978656
Energy: 1.5230195987139072
Energy: 1.4669906913978656
Energy: 1.345243124703049
Energy: 1.4463421919901291
Energy: 0.8473996345801996
Energy: 1.446342191989554
Energy: 0.9844009403786964
Energy: 1.4881790928612328
Energy: 1.4106873446506727
Energy: 1.4881790928612328
Energy: 1.38491591797843
Energy: 1.455737936965489
Energy: 0.8705780446196196
Energy: 1.455737936973544
Energy: 0.8096122633692877
Energy: 1.5149852163651982
Energy: 1.4164125879345257
Energy: 1.514985216366349
Energy: 1.2710260876981467
Energy: 1.4719293621230314
Energy: 0.8248237154663356
Energy: 1.4719293621230314
Energy: 0.8447849385663385
Energy: 1.5276548240460501
Energy: 1.3459695845229718
Energy: 1.5276548240460501
Energy: 1.253008579785525
Energy: 1.4616361340706239
Energy: 0.8239324034179968
Energy: 1.4616361340700488
Energy: 0.774245885037067
Energy: 1.438371298447023
Energy: 1.3578676474075146
Energy: 1.4383712984475983
Energy: 1.233880820787653
Energy: 1.4743824228974556
Energy: 0.9990803595594387
Energy: 1.4743824228980307
Energy: 0.8590402942609445
Energy: 1.4853659382003903
Energy: 1.324316925749674
Energy: 1.4853659382003903
Energy: 1.1628443570891371
Energy: 1.4663285535805595
Energy: 0.9978303559815345
Energy: 1.4663285541234108
Energy: 0.7850353008595079
Energy: 1.4483314739802342
Energy: 1.3910702604550818
Energy: 1.4483314739802342
Energy: 1.337633459473715
Energy: 1.4921983919256259
Energy: 1.1232722308582481
Energy: 1.4921983919250505
Energy: 0.9167992481721413
Energy: 1.559448211916521
Energy: 1.364635399065292
Energy: 1.559448211916521
Energy: 1.1901028231864037
Energy: 1.510995944708088
Energy: 1.0232169507055109
Energy: 1.5109959447063883
Energy: 0.8785521349822203
Energy: 1.5318147402343436
Energy: 1.3481770292218587
Energy: 1.5318147402343436
Energy: 1.2104851897964652
Energy: 1.4883141836146558
Energy: 0.9701689490608653
Energy: 1.4883141836152312
Energy: 0.934949989236493
Energy: 1.586127570768174
Energy: 1.3295339735814737
Energy: 1.5861275707687488
Energy: 1.3017319105871228
Energy: 1.5631058731836098
Energy: 0.8067088553122725
Energy: 1.5631058731841854
Energy: 0.8320723213265263
Energy: 1.5257585067847828
Energy: 1.2648892059725019
Energy: 1.5257585067853583
Energy: 1.2735164039138789
Energy: 1.5461699809114064
Energy: 0.8221174505052928
Energy: 1.546169980910831
Energy: 0.9557052592914027
Energy: 1.661952452399174
Energy: 1.2510225789790796
Energy: 1.6619524523997495
Energy: 1.359025020685641
Energy: 1.4933162650814997
Energy: 0.8618988050891978
Energy: 1.4933162650907048
Energy: 0.9888735593855544
Energy: 1.5242325348584653
Energy: 1.2385839162537948
Energy: 1.5242325348584653
Energy: 1.3275038344020096
Energy: 1.4843598999229521
Energy: 1.0471416226277084
Energy: 1.4843598999229521
Energy: 1.1662862471371558
Energy: 1.642201733986775
Energy: 1.2292232112906678
Energy: 1.642201733780911
Energy: 1.3659515271229985
Energy: 1.4533720248440645
Energy: 0.7989158023910264
Energy: 1.4533720248446398
Energy: 1.1823425131983274
Energy: 1.5593921352766902
Energy: 1.3187541277964536
Energy: 1.559392135276115
Energy: 1.3587116493978022
Energy: 1.556826512196775
Energy: 0.9923189683614649
Energy: 1.5568265121938984
Energy: 1.1763095385275808
Energy: 1.6138319339450031
Energy: 1.332879329645287
Energy: 1.6138319339490304
Energy: 1.3468900656715432
Energy: 1.5334421195646568
Energy: 0.9430431526497235
Energy: 1.5334421195652321
Energy: 0.9791990801275846
Energy: 1.5822387481569198
Energy: 1.2106811176012329
Energy: 1.5822387481994682
Energy: 1.25886863255399
Energy: 1.634850297027073
Energy: 1.0166013677787413
Energy: 1.6348502969954302
Energy: 0.9645135668373847
Energy: 1.6515971645778966
Energy: 1.3133894508805422
Energy: 1.6515971645767458
Energy: 1.2844133608189767
Energy: 1.6620366830886828
Energy: 0.9330020041189027
Energy: 1.6620366830886828
Energy: 0.8112143648299444
Energy: 1.6318636977397856
Energy: 1.3327851707631424
Energy: 1.6318636977403607
Energy: 1.2184862803038972
Energy: 1.7460150017792466
Energy: 1.0586889009951388
Energy: 1.7460150017792466
Energy: 1.0464428545213544
Energy: 1.5550571774234017
Energy: 1.3942941088941294
Energy: 1.5550571774251278
Energy: 1.2013603980891285
Energy: 1.623537590540428
Energy: 1.0849621723742529
Energy: 1.623537590540428
Energy: 0.993895968553547
Energy: 1.492363566907386
Energy: 1.3952306777589154
Energy: 1.4923635668901263

minimum gb energy = 0.774245885037067 eV
minimum distance =  2.34349173012315 Angstroms
sigma value = 113


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

Energy: 0.01544124489077821
Energy: 1.3919220179348046
Energy: 1.5470024852055713
Energy: 1.391922017935247
Energy: 1.044792944672498
Energy: 1.3234130683624168
Energy: 0.24355273400915947
Energy: 1.3234130683619745
Energy: 0.01544124489077821
Energy: 1.391922017935247
Energy: 1.5469844896906153
Energy: 1.391922017935247
Energy: 1.0447929446729403
Energy: 1.3234130683619745
Energy: 0.24355273400915947
Energy: 1.3234130683619745
Energy: 0.01544124489077821
Energy: 1.3919220179348046
Energy: 1.5470097606847033
Energy: 1.3919220179348046
Energy: 1.044792944672498
Energy: 1.3234130683619745
Energy: 0.24355273400874175
Energy: 1.3234130683615566

minimum gb energy = 0.01544124489077821 eV
minimum distance =  2.49111492930206 Angstroms
sigma value = 1