Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456787586208
cohesive_energy=4.178986868850123
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.01432260943848365
Energy: 0.014868591283965652
Energy: 0.014644621782780927
Energy: 2.0035638944249676
Energy: 0.014644621783012455
Energy: 0.014868591283759848
Energy: 0.014322609438252117
Energy: 0.014868591284197184
Energy: 0.014644621783912855
Energy: 1.937152554285173
Energy: 0.930333895257626
Energy: 0.014540070177439189
Energy: 0.017990780256349488
Energy: 0.9298817920522358
Energy: 0.017990780255886428
Energy: 0.014540070177439189
Energy: 0.9303338952578576
Energy: 0.014540070176770323
Energy: 0.0179907802565553
Energy: 0.9298817920522358
Energy: 0.014322609438689455
Energy: 0.014868591283965652
Energy: 0.014644621782780927
Energy: 2.0035638944249676
Energy: 0.014644621783475519
Energy: 0.014868591284197184
Energy: 0.01432260943848365
Energy: 0.014868591283759848
Energy: 0.014644621783243989
Energy: 1.5324441130906987
Energy: 0.9303338952580891
Energy: 0.014540070177439189
Energy: 0.017990780256786822
Energy: 0.9298817920520042
Energy: 0.0179907802565553
Energy: 0.014540070177233385
Energy: 0.9303338952580891
Energy: 0.014540070176770323
Energy: 0.017990780256117958
Energy: 0.929881792052673
Energy: 0.014322609438689455
Energy: 0.014868591283965652
Energy: 0.014644621783243989
Energy: 1.9371525542849413
Energy: 0.014644621783012455
Energy: 0.014868591284197184
Energy: 0.014322609438252117
Energy: 0.014868591283528314
Energy: 0.014644621782780927
Energy: 1.5324441130909043
Energy: 0.9303338952578576
Energy: 0.014540070177001853
Energy: 0.017990780256349488
Energy: 0.9298817920515411
Energy: 0.017990780256786822
Energy: 0.014540070177001853
Energy: 0.9303338952578576
Energy: 0.014540070176770323
Energy: 0.017990780256117958
Energy: 0.9298817920522358
Energy: 0.014322609438689455
Energy: 0.014868591283296784
Energy: 0.014644621782780927
Energy: 1.532444113090467
Energy: 0.014644621782549393
Energy: 0.014868591283296784
Energy: 0.01432260943848365
Energy: 0.014868591283965652
Energy: 0.014644621783012455
Energy: 1.5324441130909043

minimum gb energy = 0.014322609438252117 eV
minimum distance =  2.4284964761639 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.6180157415830865
Energy: 1.6632916718113129
Energy: 1.586040538140097
Energy: 1.6312482462279738
Energy: 1.5603447517975135
Energy: 1.6880934225401654
Energy: 1.6180157415814231
Energy: 1.6632916718140855
Energy: 1.5860405381384337
Energy: 1.6312482462268647
Energy: 1.6319272867823504
Energy: 1.657102422757578
Energy: 1.571641770015926
Energy: 1.585019932662758
Energy: 1.518977982046608
Energy: 1.5529998491779744
Energy: 1.6319272867829049
Energy: 1.657102422757578
Energy: 1.5716417700125989
Energy: 1.5850199326616488
Energy: 1.4724176201502117
Energy: 1.5299451001668134
Energy: 1.5057114701415155
Energy: 1.566046728829673
Energy: 1.5351692138740887
Energy: 1.5351660407793128
Energy: 1.4724176201485484
Energy: 1.532606537946627
Energy: 1.5057114701415155
Energy: 1.566046728830782
Energy: 1.489530459009056
Energy: 1.5836273865360957
Energy: 1.5374907465274468
Energy: 1.4676911681441613
Energy: 1.4454467162418627
Energy: 1.5317678150356013
Energy: 1.4895304590101648
Energy: 1.583627386532214
Energy: 1.5374907465274468
Energy: 1.4676911681463793
Energy: 1.4354092926610285
Energy: 1.4979132494789005
Energy: 1.4394485312200915
Energy: 1.5460225373131051
Energy: 1.5326971543017607
Energy: 1.4744079178200413
Energy: 1.4354092926632465
Energy: 1.497913249479455
Energy: 1.4394485312184278
Energy: 1.5460225373131051
Energy: 1.55442015427256
Energy: 1.5776521733657471
Energy: 1.4814019260301414
Energy: 1.452758494393287
Energy: 1.5341285046609405
Energy: 1.4089702185179598
Energy: 1.5544201542708962
Energy: 1.5776521733668563
Energy: 1.481401926029587
Energy: 1.4527584943910685
Energy: 1.5426494285044126
Energy: 1.5514590953046619
Energy: 1.5098432265426778
Energy: 1.492713773232944
Energy: 1.55347552452365
Energy: 1.6388650934492959
Energy: 1.5426494285038581
Energy: 1.5514590953046619
Energy: 1.5098432265443413
Energy: 1.4927137732351623
Energy: 1.5593951815359672
Energy: 1.5824412628636424
Energy: 1.5836130405567028
Energy: 1.5141795021242366
Energy: 1.5342672051604953
Energy: 1.4868842757550116
Energy: 1.5593951815354128
Energy: 1.5824412628636424
Energy: 1.5836130405545352
Energy: 1.5141795021231275
Energy: 1.6479678055545717
Energy: 1.571591130534264
Energy: 1.578595589088025
Energy: 1.5825831488605893
Energy: 1.6258351404638611
Energy: 1.6953359187905501
Energy: 1.6479678055523537
Energy: 1.5715911305326002
Energy: 1.5785955890896888
Energy: 1.5825831488594801
Energy: 1.6048560797698288
Energy: 1.5588267635883386
Energy: 1.6224493602174348
Energy: 1.6773184643358026
Energy: 1.677224151206378
Energy: 1.590635144877128
Energy: 1.6558185505118557
Energy: 1.5588267635905064
Energy: 1.6224493602146624
Energy: 1.677318464336357
Energy: 1.5633176318876034
Energy: 1.5026602456412863
Energy: 1.5122925210297467
Energy: 1.495216187721637
Energy: 1.5423422913403415
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Energy: 1.495216187720528
Energy: 1.49288389400713
Energy: 1.4035657670197752
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Energy: 1.4846447071813684
Energy: 1.582185030850071
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Energy: 1.492883894006021
Energy: 1.4035657670181119
Energy: 1.5452647956070327
Energy: 1.484644707181923
Energy: 1.6142050616989738
Energy: 1.4422687592112575
Energy: 1.426303324824473
Energy: 1.559168431969446
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Energy: 1.6142050616973105
Energy: 1.4422687592090393
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Energy: 1.5591684319677825
Energy: 1.5621992847659483
Energy: 1.43319185096213
Energy: 1.441808366163722
Energy: 1.5800324709838416
Energy: 1.5453412339412693
Energy: 1.5388241885953786
Energy: 1.5621992847670572
Energy: 1.4331918509632389
Energy: 1.4418083661620587
Energy: 1.5800324709805142
Energy: 1.550203474065556
Energy: 1.5041072020464388
Energy: 1.4277447287205158
Energy: 1.5071403690562
Energy: 1.4114711191081302
Energy: 1.5580486212289002
Energy: 1.5502034740650013
Energy: 1.504107202042557
Energy: 1.4277447287205158
Energy: 1.5071403690550909
Energy: 1.48853260014271
Energy: 1.5057532837328063
Energy: 1.5190006602707018
Energy: 1.5543794395254804
Energy: 1.6687721590758742
Energy: 1.5422700784118137
Energy: 1.4885326001421555
Energy: 1.5057532837344698
Energy: 1.5190006602690382
Energy: 1.5543794395232624
Energy: 1.6800793456608891
Energy: 1.5898104205094044
Energy: 1.5354634442127544
Energy: 1.5742193862547025
Energy: 1.5906449774055325
Energy: 1.674616908057035
Energy: 1.6800793456553436
Energy: 1.5898104205105135
Energy: 1.535463444210536
Energy: 1.5742193862558116
Energy: 1.6060949884551974
Energy: 1.6267031940907515
Energy: 1.5849602551502078
Energy: 1.6490219827295245
Energy: 1.6149224624890774
Energy: 1.6770101853483754
Energy: 1.606094988456861
Energy: 1.6267031940896426
Energy: 1.5849602551507622
Energy: 1.6490219827250883
Energy: 1.5456466237452802
Energy: 1.5921518385701052
Energy: 1.567602426224424
Energy: 1.5344308861409819
Energy: 1.4862689200525185
Energy: 1.5239451844777954
Energy: 1.5456466237458348
Energy: 1.5921518385673328
Energy: 1.567602426224424
Energy: 1.534430886144309
Energy: 1.4881014892763116
Energy: 1.5066874807947919
Energy: 1.4596771389476535
Energy: 1.5377846161272017
Energy: 1.5715272873739148
Energy: 1.5702667641281762
Energy: 1.4881014892763116
Energy: 1.5066874807920194
Energy: 1.4596771389470988
Energy: 1.537784616127756
Energy: 1.4206004510334282
Energy: 1.5048374024784705
Energy: 1.4873968350089075
Energy: 1.5771448402420858
Energy: 1.4125246915379457
Energy: 1.5403588702770168
Energy: 1.4206004510317647
Energy: 1.5048374024784705
Energy: 1.4873968350066893
Energy: 1.5315848912622119
Energy: 1.5172414794583566
Energy: 1.4444753857403456
Energy: 1.4318079608887977
Energy: 1.4250793818591316
Energy: 1.4931106598302506
Energy: 1.5208458779034573
Energy: 1.5172414794616838
Energy: 1.4444753857403456
Energy: 1.431807960888243
Energy: 1.4250793818613499
Energy: 1.448208203548688
Energy: 1.4599171629500236
Energy: 1.5818391505494729
Energy: 1.5038634454436148
Energy: 1.538332103618779
Energy: 1.441561458415829
Energy: 1.4482082035481334
Energy: 1.4599171629500236
Energy: 1.5818391505467004
Energy: 1.503863445440338
Energy: 1.5743411060980523
Energy: 1.5361521639103382
Energy: 1.5184457794684352
Energy: 1.4719833532826245
Energy: 1.5578074206966577
Energy: 1.5755635889292197
Energy: 1.5743411060991612
Energy: 1.5361521639114473
Energy: 1.5184457794673265
Energy: 1.4719833532831788
Energy: 1.58604498037568
Energy: 1.5883395502969315
Energy: 1.6687586162175934
Energy: 1.6546287907431878
Energy: 1.554305542633124
Energy: 1.5164604843030003
Energy: 1.58604498037568
Energy: 1.5883395502985949
Energy: 1.66875861621593
Energy: 1.654628790742079
Energy: 1.6065270812253762
Energy: 1.5604487612550784
Energy: 1.6080997513158024
Energy: 1.576275500876904
Energy: 1.5972764690309407
Energy: 1.5860405381412062
Energy: 1.6065270812259305
Energy: 1.5604487612567421
Energy: 1.6080997513163573
Energy: 1.576275500876904
Energy: 1.5850199326732943
Energy: 1.518977982045499
Energy: 1.552999849178529
Energy: 1.6319272867856776
Energy: 1.6571024227581324
Energy: 1.5716417700142626
Energy: 1.585019932672185
Energy: 1.518977982046608
Energy: 1.552999849178529
Energy: 1.6319272867817962
Energy: 1.574341106100825
Energy: 1.5351692138740887
Energy: 1.5624798002648232
Energy: 1.4724176201491026
Energy: 1.520878834526755
Energy: 1.5057114701426244
Energy: 1.5743411060991612
Energy: 1.5351692138724249
Energy: 1.535166040781531
Energy: 1.4724176201491026
Energy: 1.4676911681447158
Energy: 1.445446716241308
Energy: 1.5174541940890363
Energy: 1.4895304590085012
Energy: 1.5836273865366501
Energy: 1.5374907465268923
Energy: 1.4676911681419433
Energy: 1.4454467162407536
Energy: 1.517454194087373
Energy: 1.4895304590101648

minimum gb energy = 1.4035657670181119 eV
minimum distance =  2.2462472386617 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.9871951903659384
Energy: 1.9320012844846606
Energy: 1.8674239626834532
Energy: 1.8888458208939392
Energy: 1.636907771016549
Energy: 1.7964828638813553
Energy: 1.9871951903675618
Energy: 1.9320012844857428
Energy: 1.8674239626821005
Energy: 1.8888458208925862
Energy: 1.9742162677615775
Energy: 1.7741745057047176
Energy: 1.6418770294530312
Energy: 1.6714233033438042
Energy: 1.6060950400422094
Energy: 1.70747478794186
Energy: 1.9742162677588717
Energy: 1.7697462378417317
Energy: 1.6418770294527605
Energy: 1.6714233033435337
Energy: 1.5285661039191143
Energy: 1.5142831147501832
Energy: 1.4939676887955924
Energy: 1.4786050344600112
Energy: 1.7126646442784055
Energy: 1.5614297350893778
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Energy: 1.6578921978028558
Energy: 1.6146876314344456
Energy: 1.522950469060317
Energy: 1.522307168491777
Energy: 1.5395590734306515
Energy: 1.5683147342117862
Energy: 1.6578921978017735
Energy: 1.6146876314341752
Energy: 1.522950469063023
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Energy: 1.520267847652758
Energy: 1.528107018585542
Energy: 1.6017093917823582
Energy: 1.6619286585765212
Energy: 1.7215383188808127
Energy: 1.4604464206409296
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Energy: 1.601709391783711
Energy: 1.6619286585770623
Energy: 1.7545859632535012
Energy: 1.8757242466633064
Energy: 1.6252444088544098
Energy: 1.6290127168085125
Energy: 1.7214774337823546
Energy: 1.6965378216035147
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Energy: 1.8291165544146515
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Energy: 1.929877414281006
Energy: 1.7419384693427173
Energy: 1.8852648449357694
Energy: 1.7662254924788574
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Energy: 1.6091482937790276
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Energy: 1.4900003581034225
Energy: 1.5057604771306385
Energy: 1.4768335760189837
Energy: 1.662620885796011
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Energy: 1.505760477130368
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Energy: 1.7040048030602555
Energy: 1.5541703197746282
Energy: 1.4742579629530688
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Energy: 1.6301706537142087
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Energy: 1.6689018792265828
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Energy: 1.863106885284087
Energy: 1.7833880936240576
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Energy: 1.4972055009107241
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Energy: 1.6514690888284207
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Energy: 1.4591841020582752
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Energy: 1.5410776210192574
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Energy: 1.459184102059358
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Energy: 1.5410776210187163
Energy: 1.5512215678089791
Energy: 1.5114004723440961
Energy: 1.5145167114444094
Energy: 1.6071618160581596
Energy: 1.530340637074197
Energy: 1.6338911455778187
Energy: 1.5512215678089791
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Energy: 1.51451671144468
Energy: 1.607161816055749
Energy: 1.7075863934757127
Energy: 1.6986646309347897
Energy: 1.7335556291963674
Energy: 1.5484240724115312
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Energy: 1.6317911429312917
Energy: 1.7075863934776065
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Energy: 1.8191795359916119
Energy: 1.64242884232571
Energy: 1.823187320427763
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Energy: 1.6886503290662929
Energy: 1.666183658514473
Energy: 1.6759531529766634
Energy: 1.8516404915606168
Energy: 1.7269950155800733
Energy: 1.7672141366658403
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minimum gb energy = 1.4591841020571932 eV
minimum distance =  2.22541332428687 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.5276333830731605
Energy: 1.5475388179675487
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Energy: 1.8785126945493886
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Energy: 1.8785126945487782
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Energy: 1.6141074738600827
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Energy: 1.5949085012807287
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Energy: 1.5473571523696152
Energy: 1.716097293465242
Energy: 1.7439894606473945
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Energy: 1.7233763758610445
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Energy: 1.6234203849572848
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Energy: 1.8576749212173551
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Energy: 1.8582171844104862
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Energy: 1.821300986465246
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Energy: 1.649571566678195
Energy: 1.8582171844104862
Energy: 1.6549577265393196
Energy: 1.52105017509972
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Energy: 1.5592638606588936
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Energy: 1.55056883343877
Energy: 1.5210501750988041
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Energy: 1.6429522998388792
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Energy: 1.4932080773475822
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Energy: 1.5195869489871496
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Energy: 1.5628920662195533
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Energy: 1.6069257507471044
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Energy: 1.7315740849426908
Energy: 1.5734055309542385
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Energy: 1.7854362250499247
Energy: 1.6511928480537086
Energy: 1.8800863882768764
Energy: 1.7568413458258518
Energy: 1.798384288825271
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Energy: 1.7142117450146692
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Energy: 1.7767173968546874
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Energy: 1.7297381262549598
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Energy: 1.4956899671493638
Energy: 1.4876596801193167
Energy: 1.743529413922685
Energy: 1.5864022477898758
Energy: 1.5015243104093192
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Energy: 1.4956899671484478
Energy: 1.4876596801196218
Energy: 1.743529413922685
Energy: 1.5864022477895705
Energy: 1.483190967428546
Energy: 1.5540199262065635
Energy: 1.6715749575892271
Energy: 1.5061017051205343
Energy: 1.6733876312999343
Energy: 1.7398622913587356
Energy: 1.483190967427935
Energy: 1.5540199262059529
Energy: 1.6715749575895322
Energy: 1.506101705120229
Energy: 1.765372325920472
Energy: 1.753249957999651
Energy: 1.5850387053614545
Energy: 1.629453988092885
Energy: 1.5376419261321372
Energy: 1.5368073813539804
Energy: 1.7653723259207774
Energy: 1.753249957999651
Energy: 1.5850387053620654
Energy: 1.6294539880916639
Energy: 1.8147819461152934
Energy: 1.7937789035381184
Energy: 1.8358536899844957
Energy: 1.733201308902439
Energy: 1.865420539990364
Energy: 1.8322854976155465
Energy: 1.814781946117125
Energy: 1.7937789035353708
Energy: 1.8358536899838853
Energy: 1.733201308901218
Energy: 1.75713425528447
Energy: 1.599530837540341
Energy: 1.6410208503164971
Energy: 1.8455395399490926
Energy: 1.8205654916952614
Energy: 1.6163022206694835
Energy: 1.757134255283554
Energy: 1.59953083753912
Energy: 1.641020850317413
Energy: 1.8455395399478718
Energy: 1.8229956585129459
Energy: 1.5093980572288692
Energy: 1.624959237161599
Energy: 1.5117204375959137
Energy: 1.6545046436605477
Energy: 1.6344865677605815
Energy: 1.8229956585144722
Energy: 1.509398057225206
Energy: 1.62495923716282
Energy: 1.5117204375934714
Energy: 1.5303889728324618
Energy: 1.5844922183422017
Energy: 1.5951905585865385
Energy: 1.617532321658801
Energy: 1.677072114557902
Energy: 1.4878499648745325
Energy: 1.530388972830325
Energy: 1.5844922183434227
Energy: 1.5951905585853174
Energy: 1.6175323216569693
Energy: 1.8021012392621858
Energy: 1.571202089444496
Energy: 1.5471945747385043
Energy: 1.5913538634718443
Energy: 1.5303785419899414
Energy: 1.6644107024856767
Energy: 1.8021012392615754
Energy: 1.571202089443275
Energy: 1.5471945747375884
Energy: 1.5913538634697073

minimum gb energy = 1.4604847038528044 eV
minimum distance =  2.26228614949512 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.5839285450447356
Energy: 1.737427131966208
Energy: 1.6082649009584926
Energy: 1.9290694193933076
Energy: 1.607984681290614
Energy: 1.7374926058474156
Energy: 1.5839285450447356
Energy: 1.737427131967256
Energy: 1.6082649009584926
Energy: 1.9290694193943554
Energy: 1.7325238077488807
Energy: 1.8247727497824744
Energy: 1.4966976992126602
Energy: 1.5603766215263766
Energy: 1.4473201707577934
Energy: 1.4692856990915906
Energy: 1.7325238077488807
Energy: 1.8247727497835227
Energy: 1.4966976992126602
Energy: 1.5603766215263766
Energy: 1.3551371802257692
Energy: 1.5469263693796929
Energy: 1.4858014563532371
Energy: 1.4463282153770183
Energy: 1.5052704215951798
Energy: 1.5551026479578212
Energy: 1.3551371802268173
Energy: 1.5469263693796929
Energy: 1.4858014563542854
Energy: 1.4463282153780663
Energy: 1.410904268137558
Energy: 1.6623823607175257
Energy: 1.5476368585660545
Energy: 1.3547335142099441
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Energy: 1.6623823607175257
Energy: 1.5476368585650067
Energy: 1.354733514208896
Energy: 1.5411022377520716
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Energy: 2.002190568042026
Energy: 1.6378268870944823
Energy: 1.6667708926955018
Energy: 1.5307884340388882
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Energy: 2.002190568043074
Energy: 1.637826887093434
Energy: 1.7017025502632774
Energy: 1.4630893006094232
Energy: 1.7415160797815947
Energy: 1.4957096358475785
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Energy: 1.7415160797815947
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Energy: 1.8805881135953513
Energy: 1.8807333364221324
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Energy: 1.5839649867641163
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Energy: 1.8805881135953513
Energy: 1.8807333364210845
Energy: 1.4456050494592676
Energy: 1.4161647968844855
Energy: 1.4221339771421329
Energy: 1.408438560889817
Energy: 1.5492109450869112
Energy: 1.6078677383191264
Energy: 1.744822464172498
Energy: 1.4161647968855335
Energy: 1.4221339771410848
Energy: 1.408438560889817
Energy: 1.5492109450869112
Energy: 1.4963714522788614
Energy: 1.7418172305608917
Energy: 1.463319403481564
Energy: 1.7677223867162069
Energy: 1.4964860056900622
Energy: 1.7799467077570477
Energy: 1.4963714522788614
Energy: 1.7418172305598436
Energy: 1.463319403480516
Energy: 1.7677223867162069
Energy: 1.716830669324711
Energy: 2.002281545329092
Energy: 1.496061168087687
Energy: 1.5411221789120861
Energy: 1.531083155508231
Energy: 1.6668316064911461
Energy: 1.7168306693226152
Energy: 2.002281545329092
Energy: 1.496061168087687
Energy: 1.5411221789120861
Energy: 1.3547876660237488
Energy: 1.5477211551478303
Energy: 1.6623593041251299
Energy: 1.4110346866025525
Energy: 1.44739789548506
Energy: 1.4713114273395775
Energy: 1.3547876660247966
Energy: 1.5477211551478303
Energy: 1.6623593041251299
Energy: 1.4110346866036005
Energy: 1.4464552174059153
Energy: 1.4858014563542854
Energy: 1.5467910063679153
Energy: 1.3551294058322119
Energy: 1.5551026479567729
Energy: 1.5052185535245917
Energy: 1.4464552174059153
Energy: 1.4858014563542854
Energy: 1.5467910063679153
Energy: 1.3551294058332601
Energy: 1.560445567306603
Energy: 1.4967155378110306
Energy: 1.8248051667973648
Energy: 1.732277045242345
Energy: 1.469550878820682
Energy: 1.4472216045492465
Energy: 1.560445567306603
Energy: 1.4967155378099828
Energy: 1.8248051667973648
Energy: 1.732277045240249
Energy: 1.9110001345169894
Energy: 1.6079846812916623
Energy: 1.737492605846368
Energy: 1.5839285450457838
Energy: 1.737427131966208
Energy: 1.6082649009595409
Energy: 1.9110001345169894
Energy: 1.607984681290614
Energy: 1.7374926058474156
Energy: 1.5839285450447356

minimum gb energy = 1.354733514208896 eV
minimum distance =  2.26781394671946 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.0560374201658522
Energy: 1.9047683191782425
Energy: 1.401586356393416
Energy: 1.9999937888977142
Energy: 1.3939734291219976
Energy: 1.6432106900708434
Energy: 2.0560374201617857
Energy: 1.9047683191786493
Energy: 1.4015863563942295
Energy: 1.9999937888985273
Energy: 1.6983242084309829
Energy: 1.404869055004463
Energy: 1.3923670324316977
Energy: 1.593351597767475
Energy: 1.4106397231448398
Energy: 1.3731967339907192
Energy: 1.6983242084305765
Energy: 1.4048690550089353
Energy: 1.392367032429258
Energy: 1.5933515977642223
Energy: 1.3238483456032288
Energy: 1.3208518063844314
Energy: 1.5433316635144694
Energy: 1.4922840753764612
Energy: 1.467658419349604
Energy: 1.4951970308353473
Energy: 1.3238483456044488
Energy: 1.3208518063828052
Energy: 1.5433316635128431
Energy: 1.4922840753756481
Energy: 1.6099653435291428
Energy: 1.3942068651504316
Energy: 1.3239928376747554
Energy: 1.4105554965223135
Energy: 1.6121543450170253
Energy: 1.392270787711593
Energy: 1.6099653435291428
Energy: 1.3942068651788568
Energy: 1.323992837673942
Energy: 1.4105554965235332
Energy: 1.6659502886497608
Energy: 1.9859635818593084
Energy: 1.7565957996106047
Energy: 1.4274040454601749
Energy: 1.862209596373321
Energy: 1.3927719650578094
Energy: 1.6659502886493542
Energy: 1.985963581858902
Energy: 1.7565957996097916
Energy: 1.4274040454552959
Energy: 1.4299994630312005
Energy: 1.7198036766067983
Energy: 1.5240839128112988
Energy: 1.3932327215187565
Energy: 1.5980634147351054
Energy: 1.432904594962736
Energy: 1.4299994630324202
Energy: 1.7198036766072053
Energy: 1.5240839128121118
Energy: 1.393232721521603
Energy: 1.4507104917570908
Energy: 1.2770764871954379
Energy: 1.2768740914156549
Energy: 1.6367841306294637
Energy: 1.5229491119359535
Energy: 1.4590969036344137
Energy: 1.4507104917603435
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Energy: 1.6367841306306832
Energy: 1.3929722572877168
Energy: 1.556493340690938
Energy: 1.3273412056600802
Energy: 1.2957543900796564
Energy: 1.4116729478915486
Energy: 1.6182690705915153
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Energy: 1.3273412056608935
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Energy: 1.392467525987638
Energy: 1.7808168488488825
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Energy: 1.55042357578461
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Energy: 1.392467525985605
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Energy: 1.9876541869904873
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Energy: 1.3013045893820234
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Energy: 1.7572241048703678
Energy: 1.396230152468155
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Energy: 1.4113677832680436
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Energy: 1.7353746381750725
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Energy: 1.276494870545621
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Energy: 1.3874609922383658
Energy: 1.3388922394989624
Energy: 1.2999202151592721
Energy: 1.411738927255417
Energy: 1.555166399610553
Energy: 1.4275965549482572
Energy: 1.3874609922383658
Energy: 1.3388922394997755
Energy: 1.6923952126982795
Energy: 1.3928126678753465
Energy: 1.786146262421855
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Energy: 1.39281266787494
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Energy: 1.4818739383046244
Energy: 1.4605526018155268
Energy: 1.5297729033500884
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Energy: 1.5297729033472423
Energy: 1.7298585540943123
Energy: 1.4487441727983015
Energy: 1.4107049576642234
Energy: 1.3746103676466361
Energy: 1.2770330646944779
Energy: 1.2771849647657247
Energy: 1.6431346451000977
Energy: 1.4487441727970816
Energy: 1.4107049576617838
Energy: 1.3746103676466361
Energy: 1.2770330646969175
Energy: 1.4105628153887213
Energy: 1.5591999569644674
Energy: 1.6474484377947831
Energy: 1.3224722184630942
Energy: 1.3352919218533117
Energy: 1.2981413959793648
Energy: 1.4105628153846552
Energy: 1.5591999569648738
Energy: 1.6474484377935636
Energy: 1.3224722184626876
Energy: 1.6239602374428104
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Energy: 1.7385264876140119
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Energy: 1.5979819385367806
Energy: 1.5518091674369179
Energy: 1.4757233210637446
Energy: 1.4666504927675403
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Energy: 1.3735134045966795
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Energy: 1.525354587390482
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Energy: 1.6642240506446455
Energy: 1.2907529012066958
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Energy: 1.680838621406655
Energy: 1.3937639479733117
Energy: 1.7682296074701622
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Energy: 1.6808386214074682
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Energy: 1.7860211987897607
Energy: 1.3924544759318045
Energy: 1.8547032538773638
Energy: 1.7215267224130222
Energy: 1.6037435803164897
Energy: 1.8110495808823206
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Energy: 1.8547032538777704
Energy: 1.721526722415462
Energy: 1.5713536168096895
Energy: 1.4319136532681567
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Energy: 1.4108571133861907
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Energy: 1.2766986814683914
Energy: 1.5713536168125357
Energy: 1.431913653269783
Energy: 1.456113918152928
Energy: 1.4108571133837513
Energy: 1.3211450862025067
Energy: 1.4195480815636867
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Energy: 1.3211450862029133
Energy: 1.4195480815608406
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Energy: 1.8485007083511635
Energy: 1.4110366761626818
Energy: 1.4336061683451857
Energy: 1.5929268258989315
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Energy: 1.6505677804173615
Energy: 1.8485007083519767
Energy: 1.411036676161055
Energy: 1.4336061683435593
Energy: 1.5929268258981184
Energy: 2.055889967247046
Energy: 1.8010204265668748
Energy: 1.3925656492188945
Energy: 1.8562825987068268
Energy: 1.7994677394280059
Energy: 1.6403653242356162
Energy: 2.0558899672507054
Energy: 1.8010204265668748
Energy: 1.392565649218488
Energy: 1.8562825987108926
Energy: 1.1973268127110945
Energy: 1.6234436493775464
Energy: 1.3938863460815045
Energy: 1.5541084478297695
Energy: 1.4139133044674643
Energy: 1.3732481670383354
Energy: 1.1973268127123144
Energy: 1.6234436493775464
Energy: 1.3938863460782516
Energy: 1.5541084478281435
Energy: 1.3116265611198954
Energy: 1.3199601227383833
Energy: 1.4419691499155127
Energy: 1.4674494674556076
Energy: 1.4888438850651635
Energy: 1.5258856321791152
Energy: 1.3116265611215219
Energy: 1.3199601227396032
Energy: 1.441969149917546
Energy: 1.4674494674560141
Energy: 1.7128311941803545
Energy: 1.8593237259773179
Energy: 1.371073576645346
Energy: 1.4109540949203354
Energy: 1.6712692348532987
Energy: 1.392239947328032
Energy: 1.7128311941807608
Energy: 1.8593237259777242
Energy: 1.3710735766461593
Energy: 1.4109540949219617
Energy: 1.6471358454019849
Energy: 1.9854298629481966
Energy: 1.7938632586384933
Energy: 1.3930046972787482
Energy: 1.8834273399396757
Energy: 1.394040028382913
Energy: 1.6471358454011717
Energy: 1.9854298629494165
Energy: 1.793863258640526
Energy: 1.3930046972759391
Energy: 1.370462078696185
Energy: 1.7393843456666815
Energy: 1.3957157325016847
Energy: 1.3923563402072123
Energy: 1.5715469771180206
Energy: 1.4107537772366832
Energy: 1.370462078695778
Energy: 1.739384345667901
Energy: 1.3957157325020915
Energy: 1.3923563402055859
Energy: 1.5292066600043321
Energy: 1.3227208946180273
Energy: 1.3216792963728055
Energy: 1.5335179963675982
Energy: 1.4820998285217442
Energy: 1.4727849689048051
Energy: 1.5292066600027057
Energy: 1.3227208946176208
Energy: 1.3216792963744322
Energy: 1.533517996365972
Energy: 1.3922420273311218
Energy: 1.519707938366292
Energy: 1.870228228800729
Energy: 1.294968200736004
Energy: 1.4105168660008536
Energy: 1.6224099925565765
Energy: 1.3922420273299019
Energy: 1.519707938365072
Energy: 1.8702282288019487
Energy: 1.2949682007347842
Energy: 1.3926960326114342
Energy: 1.7949956845299129
Energy: 1.9838010256739498
Energy: 1.8592330423783472
Energy: 1.4276310267738277
Energy: 1.9564559294391586
Energy: 1.392696032610621
Energy: 1.7949956845299129
Energy: 1.9838010256711034
Energy: 1.8592330423763144
Energy: 1.4107069386352233
Energy: 1.4375036782866708
Energy: 1.7478807625122206
Energy: 1.521471966118104
Energy: 1.3925033601682137
Energy: 1.6114480616828866
Energy: 1.410706938636443
Energy: 1.437503678288704
Energy: 1.7478807625142536
Energy: 1.521471966118104
Energy: 1.467340089809713
Energy: 1.4900935279481256
Energy: 1.3214571704378886
Energy: 1.3203090120142047
Energy: 1.5313964633766564
Energy: 1.5035536784636838
Energy: 1.467340089809713
Energy: 1.4900935279485321
Energy: 1.3214571704411413
Energy: 1.320309012016238
Energy: 1.6208118567082734
Energy: 1.3925107401160088
Energy: 1.5091701861736857
Energy: 1.3268262321702704
Energy: 1.295625217370422
Energy: 1.4139856394233519
Energy: 1.6208118567099001
Energy: 1.3925107401151955
Energy: 1.5091701861749056
Energy: 1.3268262321674242
Energy: 1.6919222063455381
Energy: 1.3924670184594181
Energy: 1.7755948440361715
Energy: 1.9862354448021626
Energy: 1.8104780256931219
Energy: 1.778759639860793
Energy: 1.691922206344318
Energy: 1.3924670184561654
Energy: 1.7755948440345453
Energy: 1.9862354447997228
Energy: 1.59212971149202
Energy: 1.4335143433303232
Energy: 1.386725537295267
Energy: 1.7258649959013261
Energy: 1.5194193781759764
Energy: 1.3956145544944194
Energy: 1.5921297114928332
Energy: 1.4335143433295099
Energy: 1.3867255372989267
Energy: 1.725864995899293

minimum gb energy = 1.1973268127110945 eV
minimum distance =  2.21661522959943 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.4053677910279951
Energy: 1.8630630696750539
Energy: 1.2012836921754453
Energy: 1.9406420718163697
Energy: 1.4554801984663666
Energy: 1.8322078733637928
Energy: 1.4053677910279951
Energy: 1.8630630696745711
Energy: 1.2012836921754453
Energy: 1.969670533232924
Energy: 1.3282003601908496
Energy: 1.5894095260266374
Energy: 1.3030389732179535
Energy: 1.2014153012082875
Energy: 1.2006754218052318
Energy: 1.3146782507407908
Energy: 1.3282003602318315
Energy: 1.5894095260266374
Energy: 1.3030389732179535
Energy: 1.2014153012078048
Energy: 1.8669370465312283
Energy: 1.2009466827697233
Energy: 1.6458589934846153
Energy: 1.821790451247297
Energy: 1.201962959394968
Energy: 1.7771374682881667
Energy: 1.8669370465307455
Energy: 1.2009466827692405
Energy: 1.645858993483167
Energy: 1.8217904512487448
Energy: 1.941744472689841
Energy: 1.2017444735206604
Energy: 1.201096435629977
Energy: 1.5044953582938694
Energy: 1.8069756757984115
Energy: 1.404973736385772
Energy: 1.9417444726888755
Energy: 1.2017444735201777
Energy: 1.2010964356309421
Energy: 1.5044953582948346
Energy: 1.7897945614305661
Energy: 1.2797117662614386
Energy: 1.4415081804966892
Energy: 1.7592178195488002
Energy: 1.8904907646893152
Energy: 1.4046125577788424
Energy: 1.7897945614300836
Energy: 1.279711766262404
Energy: 1.4415081804966892
Energy: 1.7592178195488002
Energy: 1.2628574292150345
Energy: 1.2016368879910446
Energy: 1.6241819093434708
Energy: 1.2022621579619672
Energy: 1.66208203519591
Energy: 1.4481148461343012
Energy: 1.3293333817018504
Energy: 1.2016368879920096
Energy: 1.6601130273651317
Energy: 1.2022621579619672
Energy: 1.2022239746991963
Energy: 1.6304905282040114
Energy: 1.2018268275623207
Energy: 1.3758708377411246
Energy: 1.7605164952115295
Energy: 1.718648989667621
Energy: 1.2022239746991963
Energy: 1.4791821786383446
Energy: 1.2018268275628032
Energy: 1.3758708377411246
Energy: 1.759106697556245
Energy: 1.441570295637793
Energy: 1.304925147939269
Energy: 1.7897274081166188
Energy: 1.4253018716737125
Energy: 1.8905158855928903
Energy: 1.759106697556245
Energy: 1.4415702956382757
Energy: 1.3049251479402344
Energy: 1.789727408116136
Energy: 1.5044540950408873
Energy: 1.2010976956079844
Energy: 1.2014808295420736
Energy: 1.9417550943683188
Energy: 1.4072077960923546
Energy: 1.8076654646317019
Energy: 1.50445409504137
Energy: 1.2010976956079844
Energy: 1.2014808295411084
Energy: 1.9417550943683188
Energy: 1.8216553429892866
Energy: 1.6458589934836498
Energy: 1.201021883246265
Energy: 1.8665862354161524
Energy: 1.7768840023164727
Energy: 1.20186314597951
Energy: 1.8216553429892866
Energy: 1.6458589934841326
Energy: 1.2010218832467472
Energy: 1.8665862354156697
Energy: 1.20146410146698
Energy: 1.3087751751231944
Energy: 1.5894485508622764
Energy: 1.3298076988309784
Energy: 1.3146782507407908
Energy: 1.2007115528019132
Energy: 1.2014641014674625
Energy: 1.3087751751241599
Energy: 1.5894485508622764
Energy: 1.3298076991223713
Energy: 1.7944778433238344
Energy: 1.4554801984649186
Energy: 1.8606406208805766
Energy: 1.4053677910275124
Energy: 1.8630630696755364
Energy: 1.2012836921768935
Energy: 1.8199243415090878
Energy: 1.455480198464436
Energy: 1.8606406208810593
Energy: 1.4053677910279951
Energy: 1.2014153012078048
Energy: 1.200675421804749
Energy: 1.3146782507407908
Energy: 1.328200359779319
Energy: 1.5894095260261547
Energy: 1.3030389732174708
Energy: 1.201415301207322
Energy: 1.200675421804749
Energy: 1.3146782507412735
Energy: 1.3282003598536045
Energy: 1.8217904512482626
Energy: 1.2019629593940027
Energy: 1.7771374682862362
Energy: 1.8669370465307455
Energy: 1.2009466827697233
Energy: 1.645858993483167
Energy: 1.8217904512482626
Energy: 1.201962959394968
Energy: 1.7771374682862362
Energy: 1.8669370465312283
Energy: 1.5044953582943519
Energy: 1.8069756757984115
Energy: 1.404973736385772
Energy: 1.9417444726888755
Energy: 1.2017444735201777
Energy: 1.2010964356304596
Energy: 1.5044953582933867
Energy: 1.806975675799377
Energy: 1.4049737363852894
Energy: 1.941744472688393
Energy: 1.759217819549283
Energy: 1.8904907646883498
Energy: 1.4046125577793251
Energy: 1.7897945614305661
Energy: 1.2797117662619213
Energy: 1.4415081804966892
Energy: 1.7592178195502484
Energy: 1.8904907646888325
Energy: 1.4046125577793251
Energy: 1.7897945614305661
Energy: 1.2022621579614845
Energy: 1.6620820352335137
Energy: 1.448114846134784
Energy: 1.2228463190644692
Energy: 1.2016368879915273
Energy: 1.690529840108319
Energy: 1.2022621579614845
Energy: 1.6620820352262737
Energy: 1.4481148461357494
Energy: 1.2228463190639864
Energy: 1.6880711206800263
Energy: 1.7605164952095986
Energy: 1.7186489896656905
Energy: 1.2022239746987136
Energy: 1.4791821786368964
Energy: 1.2018268275603903
Energy: 1.6880711206795436
Energy: 1.7605164952100814
Energy: 1.7186489896671382
Energy: 1.202223974699679
Energy: 1.7897274081171013
Energy: 1.4253018716741952
Energy: 1.8905158855924076
Energy: 1.759106697556245
Energy: 1.4415702956387584
Energy: 1.304925147939269
Energy: 1.7897274081171013
Energy: 1.4253018716751606
Energy: 1.8905158855928903
Energy: 1.7591066975572103
Energy: 1.9417550943683188
Energy: 1.4072077960909066
Energy: 1.8076654646317019
Energy: 1.50445409504137
Energy: 1.2010976956079844
Energy: 1.2014808295396604
Energy: 1.9417550943683188
Energy: 1.4072077960923546
Energy: 1.8076654646326673
Energy: 1.5044540950408873
Energy: 1.8665862354166352
Energy: 1.7768840023169554
Energy: 1.2018631459804752
Energy: 1.821655342990252
Energy: 1.6458589934846153
Energy: 1.2010218832457822
Energy: 1.8665862354161524
Energy: 1.7768840023169554
Energy: 1.201863145978062
Energy: 1.821655342990252
Energy: 1.3298076926663158
Energy: 1.3146782507412735
Energy: 1.2007115528019132
Energy: 1.20146410146698
Energy: 1.3087751751241599
Energy: 1.589448550860829
Energy: 1.3298076920690947
Energy: 1.3146782507412735
Energy: 1.2007115528019132
Energy: 1.201464101467945
Energy: 1.4053677910284776
Energy: 1.8630630696765018
Energy: 1.2012836921711014
Energy: 1.6131336468028497
Energy: 1.455480198465401
Energy: 1.860640620881542
Energy: 1.4053677910275124
Energy: 1.8630630696755364
Energy: 1.2012836921720669
Energy: 1.6131336468033324
Energy: 1.3282003593904734
Energy: 1.5894095260280854
Energy: 1.3030389732174708
Energy: 1.2014153012078048
Energy: 1.2006754218042666
Energy: 1.3146782507407908
Energy: 1.32820035917047
Energy: 1.58940952602712
Energy: 1.3030389732179535
Energy: 1.2014153012087698
Energy: 1.8669370465307455
Energy: 1.2009466827706885
Energy: 1.6458589934822019
Energy: 1.8217904512487448
Energy: 1.201962959394968
Energy: 1.7771374682867187
Energy: 1.8669370465312283
Energy: 1.2009466827706885
Energy: 1.645858993483167
Energy: 1.8217904512477798
Energy: 1.9417444726888755
Energy: 1.2017444735201777
Energy: 1.2010964356304596
Energy: 1.5044953582948346
Energy: 1.8069756757988942
Energy: 1.404973736385772
Energy: 1.9417444726903237
Energy: 1.201744473521143
Energy: 1.201096435629977
Energy: 1.5044953582938694
Energy: 1.7897945614305661
Energy: 1.2797117662614386
Energy: 1.4415081804966892
Energy: 1.7592178195473522
Energy: 1.8904907646888325
Energy: 1.4046125577802904
Energy: 1.7897945614300836
Energy: 1.279711766260956
Energy: 1.4415081804971719
Energy: 1.759217819549283
Energy: 1.2013499374818175
Energy: 1.201636887990562
Energy: 1.696561933758667
Energy: 1.2022621579614845
Energy: 1.6620820352822618
Energy: 1.4481148461352666
Energy: 1.2013499374813348
Energy: 1.2016368879920096
Energy: 1.696561933758667
Energy: 1.2022621579619672
Energy: 1.2022239746987136
Energy: 1.4791821786368964
Energy: 1.2018268275613555
Energy: 1.6880711206785781
Energy: 1.7605164952091161
Energy: 1.7186489896656905
Energy: 1.2022239746987136
Energy: 1.479182178637379
Energy: 1.2018268275603903
Energy: 1.6880711206790608
Energy: 1.7591066975557623
Energy: 1.4415702956382757
Energy: 1.3049251479402344
Energy: 1.7897274081166188
Energy: 1.425301871674678
Energy: 1.8905158855924076
Energy: 1.7591066975557623
Energy: 1.441570295637793
Energy: 1.3049251479397517
Energy: 1.789727408117584
Energy: 1.5044540950408873
Energy: 1.2010976956079844
Energy: 1.2014808295396604
Energy: 1.9417550943683188
Energy: 1.407207796089459
Energy: 1.8076654646331498
Energy: 1.50445409504137
Energy: 1.2010976956084671
Energy: 1.2014808295406256
Energy: 1.941755094367836
Energy: 1.8216553429892866
Energy: 1.6458589934841326
Energy: 1.2010218832467472
Energy: 1.8665862354156697
Energy: 1.7768840023164727
Energy: 1.2018631459790274
Energy: 1.821655342990252
Energy: 1.6458589934841326
Energy: 1.2010218832457822
Energy: 1.8665862354161524
Energy: 1.20146410146698
Energy: 1.3087751751241599
Energy: 1.5894485508613116
Energy: 1.329807688514418
Energy: 1.314678250742239
Energy: 1.2007115528019132
Energy: 1.2014641014674625
Energy: 1.3087751751231944
Energy: 1.5894485508593807
Energy: 1.329807688544343

minimum gb energy = 1.2006754218042666 eV
minimum distance =  2.27146137081671 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.6216402309484124
Energy: 1.9345594566322415
Energy: 1.505385508276134
Energy: 2.0212949325583174
Energy: 1.5184056150149183
Energy: 1.8511761791111585
Energy: 1.6216402309486775
Energy: 1.9345594566306514
Energy: 1.505385508275074
Energy: 1.9931232735889644
Energy: 1.9515889325621578
Energy: 1.8209193461497553
Energy: 1.449625103407799
Energy: 1.570622975660826
Energy: 1.3751402970278408
Energy: 1.3681164624994568
Energy: 1.951588932561363
Energy: 1.8209193461481654
Energy: 1.449625103407799
Energy: 1.5706229756629457
Energy: 1.6902529397405204
Energy: 1.3477105935029066
Energy: 1.6796933139914472
Energy: 1.9120641516053418
Energy: 1.3757536941204689
Energy: 1.4242040082350957
Energy: 1.6902529397402555
Energy: 1.3477105935018467
Energy: 1.6796933139906522
Energy: 1.9120641516045471
Energy: 1.479452370477305
Energy: 1.3431836628736693
Energy: 1.4574625938996228
Energy: 1.4489290109526596
Energy: 1.649654860161244
Energy: 1.8596967322821192
Energy: 1.47945237047757
Energy: 1.343183662873139
Energy: 1.4574625939004178
Energy: 1.4489290109529247
Energy: 1.4258450948377486
Energy: 1.4235485518000406
Energy: 1.4994453415536828
Energy: 1.8755408659322534
Energy: 1.4570302217821687
Energy: 1.4417527994514705
Energy: 1.4258450948372188
Energy: 1.423548551801895
Energy: 1.4994453415536828
Energy: 1.8755408659298687
Energy: 1.849068526446081
Energy: 1.3423454896790574
Energy: 1.6936290154495741
Energy: 1.423208975053704
Energy: 1.3582082344532638
Energy: 1.9174508131616201
Energy: 1.8490685264436961
Energy: 1.3423454896798523
Energy: 1.6936290154503688
Energy: 1.4232089750518733
Energy: 1.4494010825181305
Energy: 1.4551679372846078
Energy: 1.8995814761762584
Energy: 1.570740377874184
Energy: 1.3919994525059194
Energy: 1.5400464302012165
Energy: 1.4494010825183956
Energy: 1.4551679372851376
Energy: 1.8995814761759935
Energy: 1.570740377872064
Energy: 1.5320857160710593
Energy: 1.9063920308684326
Energy: 1.6012702792116473
Energy: 1.908931544198564
Energy: 1.5036086530298698
Energy: 1.7135439318547239
Energy: 1.5320857160684096
Energy: 1.906392030870817
Energy: 1.601270279212707
Energy: 1.9089315441990937
Energy: 1.3165095051298155
Energy: 1.417619995395855
Energy: 1.9016780305313905
Energy: 1.7629012848417507
Energy: 1.4482312376460373
Energy: 1.571313083017845
Energy: 1.3165095051287556
Energy: 1.4176199954011546
Energy: 1.9016780305319203
Energy: 1.7629012848486394
Energy: 1.3951018562897863
Energy: 1.4127124739784545
Energy: 1.6906111795876715
Energy: 1.349513089840938
Energy: 1.6885782016314193
Energy: 1.9014873299972774
Energy: 1.3951018562871367
Energy: 1.4127124739773944
Energy: 1.6906111795879364
Energy: 1.3495130898427927
Energy: 1.803908784338022
Energy: 1.5728488421879872
Energy: 1.7416033752467535
Energy: 1.3566528044481059
Energy: 1.4579285466348824
Energy: 1.451767711938947
Energy: 1.803908784339082
Energy: 1.5728488421885172
Energy: 1.7416033752454287
Energy: 1.3566528044462511
Energy: 1.4617818506496731
Energy: 1.4419773332658274
Energy: 1.4262065379210591
Energy: 1.4255977485739855
Energy: 1.490581375670591
Energy: 1.860576887295728
Energy: 1.4617818506483484
Energy: 1.4419773332631778
Energy: 1.426206537921854
Energy: 1.4255977485753104
Energy: 1.353952285812787
Energy: 1.7601967929016058
Energy: 1.851807981810774
Energy: 1.3593838886552745
Energy: 1.6983742831113684
Energy: 1.4217925110990464
Energy: 1.353952285811727
Energy: 1.7601967929039906
Energy: 1.8518079818091844
Energy: 1.3593838886544796
Energy: 1.4027248683412155
Energy: 1.479057843430265
Energy: 1.449347747243477
Energy: 1.6256292833747157
Energy: 1.9028542129980976
Energy: 1.4018282837373515
Energy: 1.402724868338831
Energy: 1.4790578434262907
Energy: 1.4493477472426821
Energy: 1.6256292833760406
Energy: 1.5033641897095282
Energy: 1.7128691748056915
Energy: 1.6007624591942615
Energy: 1.9036736857474637
Energy: 1.5097490839785739
Energy: 1.8909072467977206
Energy: 1.5033641897087333
Energy: 1.712869174802512
Energy: 1.6007624591924068
Energy: 1.9036736857464036
Energy: 1.4480860060194956
Energy: 1.5707827848475342
Energy: 1.3165101551610643
Energy: 1.4334454290335035
Energy: 1.7608765809788836
Energy: 1.8294638171176139
Energy: 1.4480860060187006
Energy: 1.570782784848064
Energy: 1.3165101551610643
Energy: 1.4334454290329735
Energy: 1.6066299991028805
Energy: 1.8895239614167085
Energy: 1.3146847228021106
Energy: 1.4156360549363214
Energy: 1.5282031811462413
Energy: 1.3524366169350088
Energy: 1.6066299991026154
Energy: 1.8895239614159136
Energy: 1.3146847228026404
Energy: 1.415636054938971
Energy: 1.459662823412413
Energy: 1.4503297902358137
Energy: 1.7410674155368941
Energy: 1.5766394050353207
Energy: 1.7726623485686306
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Energy: 1.832640450727408
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Energy: 1.7043255166835727
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Energy: 1.8025729281594667
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Energy: 1.409890116684616
Energy: 1.4188251586113452
Energy: 1.3144330179007544
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Energy: 1.802572928159997
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Energy: 1.4599389975499428
Energy: 1.554377547963833
Energy: 1.669398801172693
Energy: 1.551613533456414

minimum gb energy = 1.3136685157784935 eV
minimum distance =  2.2359555313854 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.4438906860453131
Energy: 1.3480493231875572
Energy: 1.752281118811153
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Energy: 1.4184621166630655
Energy: 1.348900012272931
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Energy: 1.472705644575825
Energy: 1.6667197043605713
Energy: 1.4543540566308117
Energy: 1.3470987778339838
Energy: 1.4299959292861826

minimum gb energy = 1.2353202292531638 eV
minimum distance =  2.27417627030381 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 2.016652814907715
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Energy: 1.7713799785007434
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minimum gb energy = 1.4557359381799366 eV
minimum distance =  2.23979071855121 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.6148284655695866
Energy: 1.7426579047002781
Energy: 1.7645733197176146
Energy: 1.7393148759419674
Energy: 1.745172218489412
Energy: 1.4694585420830717
Energy: 1.6148284655699827
Energy: 1.742657904700674
Energy: 1.7105601901172198
Energy: 1.6201437871103712
Energy: 1.5185424900866722
Energy: 1.5288237355361267
Energy: 1.5457552479316679
Energy: 1.6670084471386777
Energy: 1.7105601901180116
Energy: 1.6201437871107671
Energy: 1.518542490087068
Energy: 1.5288237355365228
Energy: 1.7725393022283276
Energy: 1.9006732616487194
Energy: 1.544908106705687
Energy: 2.0614578988938366
Energy: 1.5456263158125525
Energy: 1.9016813068223168
Energy: 1.7725393022291196
Energy: 1.900673261648323
Energy: 1.544908106705687
Energy: 2.0614578988938366
Energy: 1.7656619709546646
Energy: 1.6669380700936751
Energy: 1.5500059177261094
Energy: 1.5288293120814371
Energy: 1.5187597819377698
Energy: 1.6200210176856502
Energy: 1.7656619709546646
Energy: 1.6669380700936751
Energy: 1.5500059177261094
Energy: 1.5288293120822294
Energy: 1.7594490390481168
Energy: 1.769440326281651
Energy: 1.77382604236294
Energy: 1.7422484441034785
Energy: 1.6624184494309746
Energy: 1.4693390467660754
Energy: 1.745124506504928
Energy: 1.769440326280859
Energy: 1.7738260423637322
Energy: 1.7422484441034785
Energy: 2.058781318790544
Energy: 1.7272192095937475
Energy: 1.8633913546034668
Energy: 1.6408837622706283
Energy: 1.5947422427656468
Energy: 1.6556395781345519
Energy: 2.05878131879094
Energy: 1.7272192095941439
Energy: 1.863391354603071
Energy: 1.6408837622702324
Energy: 1.4843540077976947
Energy: 1.5799017448325177
Energy: 1.7517158177177914
Energy: 1.805079985457797
Energy: 1.6730459159327347
Energy: 1.4605220104307084
Energy: 1.4843540077969024
Energy: 1.579901744832122
Energy: 1.75171581771898
Energy: 1.8050799854581931
Energy: 1.491732843344841
Energy: 1.586045861246317
Energy: 1.5787195548312636
Energy: 1.8989974428021248
Energy: 1.7995366399695207
Energy: 2.059915688851355
Energy: 1.4917328433444446
Energy: 1.5860458612403756
Energy: 1.5787195548312636
Energy: 1.898997442802521
Energy: 1.549139630486086
Energy: 1.7316745409279923
Energy: 1.806243760551818
Energy: 2.048503223105163
Energy: 1.704304254750853
Energy: 1.7436057189462513
Energy: 1.549139630486086
Energy: 1.731674540927596
Energy: 1.806243760551818
Energy: 2.048503223105163
Energy: 1.569445439360216
Energy: 1.53740361355617
Energy: 1.5357017548045608
Energy: 1.55615354357242
Energy: 1.6409282781355772
Energy: 1.6407282593595631
Energy: 1.5694454393598198
Energy: 1.53740361355617
Energy: 1.535701754804165
Energy: 1.556153543572816
Energy: 2.0288714124826686
Energy: 1.806301522805378
Energy: 1.7313006321936235
Energy: 1.5490783508900774
Energy: 1.743738995686174
Energy: 1.704535056579091
Energy: 2.028871412483461
Energy: 1.8063015228049817
Energy: 1.7313006321932274
Energy: 1.5490783508896813
Energy: 1.8989662649723729
Energy: 1.5787320365321016
Energy: 1.5859153599269722
Energy: 1.5025334808934123
Energy: 2.059873023905377
Energy: 1.75289139147192
Energy: 1.8989662649719767
Energy: 1.5787320365321016
Energy: 1.5859153599253877
Energy: 1.5025334808934123
Energy: 1.8052263183819524
Energy: 1.7525603080398662
Energy: 1.579901744834498
Energy: 1.484103090926458
Energy: 1.4605910036549452
Energy: 1.6730459159327347
Energy: 1.8052263183815564
Energy: 1.7525603080402623
Energy: 1.579901744834498
Energy: 1.484103090926458
Energy: 1.639900138086083
Energy: 1.8633822801413595
Energy: 1.728720153515445
Energy: 2.058824339583924
Energy: 1.6555893134989268
Energy: 1.593575257943602
Energy: 1.639900138087271
Energy: 1.8633822801409632
Energy: 1.728720153516633
Energy: 2.058824339583924

minimum gb energy = 1.460522010430312 eV
minimum distance =  2.25670261119746 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.1870135073406247
Energy: 1.572404524415367
Energy: 1.2369274257580432
Energy: 1.9956120889412015
Energy: 1.2368573289395492
Energy: 1.685228671579525
Energy: 1.1870135073413404
Energy: 1.572404524415367
Energy: 1.236927425758759
Energy: 2.0422215943288102
Energy: 1.4461589679840994
Energy: 1.724617123037697
Energy: 1.2362643707720076
Energy: 1.6280070769432342
Energy: 1.5954030388834088
Energy: 1.3102791118472616
Energy: 1.4461589679833835
Energy: 1.5812104788414758
Energy: 1.2362643707727234
Energy: 1.5954123148873471
Energy: 1.475186056048723
Energy: 1.1992350203967999
Energy: 1.6928233480623274
Energy: 1.5525522797443634
Energy: 1.53464399597589
Energy: 1.2348947842154818
Energy: 1.475186056048723
Energy: 1.1992350203967999
Energy: 1.6928233480623274
Energy: 1.5525522797450793
Energy: 1.6928027341394454
Energy: 1.199802498225475
Energy: 1.4750704033358206
Energy: 1.2349129858430976
Energy: 1.5346988955120346
Energy: 1.5523928114845564
Energy: 1.6928027341408771
Energy: 1.199802498225475
Energy: 1.4750704033358206
Energy: 1.2349129858430976
Energy: 1.23633238022598
Energy: 1.8189175539866456
Energy: 1.446231058719185
Energy: 1.3107999141271167
Energy: 1.5951442641474514
Energy: 1.5838171255370352
Energy: 1.2363323802252641
Energy: 1.9232196053204977
Energy: 1.4462310587177534
Energy: 1.3107999141278324
Energy: 1.2368573289388332
Energy: 1.5878489806976492
Energy: 1.1870135073406247
Energy: 1.572404524416083
Energy: 1.236927425759475
Energy: 2.0196502114183232
Energy: 1.2368573289395492
Energy: 1.6752189904712989
Energy: 1.1870135073406247
Energy: 1.5724045244167988
Energy: 1.595403038884125
Energy: 1.3102791118479775
Energy: 1.4461589679840994
Energy: 1.6480561123834112
Energy: 1.2362643707720076
Energy: 1.5300036714444563
Energy: 1.5954030388834088
Energy: 1.3102791118472616
Energy: 1.4461589679826676
Energy: 1.5812104788414758
Energy: 1.53464399597589
Energy: 1.2348947842154818
Energy: 1.475186056048723
Energy: 1.1992350203967999
Energy: 1.692823348063043
Energy: 1.5525522797443634
Energy: 1.53464399597589
Energy: 1.2348947842154818
Energy: 1.4751860560480072
Energy: 1.1992350203967999
Energy: 1.5346988955113188
Energy: 1.5523928114824088
Energy: 1.6928027341401612
Energy: 1.199802498225475
Energy: 1.4750704033358206
Energy: 1.2349129858430976
Energy: 1.5346988955113188
Energy: 1.5523928114831245
Energy: 1.6928027341387295
Energy: 1.199802498225475
Energy: 1.5951442641474514
Energy: 1.5954393893533876
Energy: 1.2363323802288437
Energy: 1.893182835184958
Energy: 1.446231058719185
Energy: 1.3107999141271167
Energy: 1.5951442641474514
Energy: 1.743919456552976
Energy: 1.2363323802281276
Energy: 1.89318283518639
Energy: 1.236927425758759
Energy: 1.607438813624864
Energy: 1.2368573289388332
Energy: 1.5505452107264432
Energy: 1.1870135073406247
Energy: 1.572404524416083
Energy: 1.236927425759475
Energy: 1.7137837069536896
Energy: 1.2368573289395492
Energy: 1.5505452107271591
Energy: 1.2362643707755872
Energy: 1.3665444631251078
Energy: 1.5954030388834088
Energy: 1.3102791118479775
Energy: 1.4461589679833835
Energy: 1.6480561123841273
Energy: 1.2362643707741552
Energy: 1.5300036714437404
Energy: 1.5954030388834088
Energy: 1.3102791118479775
Energy: 1.692823348063043
Energy: 1.5525522797450793
Energy: 1.5346439959766058
Energy: 1.2348947842154818
Energy: 1.475186056049439
Energy: 1.1992350203975155
Energy: 1.6928233480623274
Energy: 1.5525522797443634
Energy: 1.53464399597589
Energy: 1.2348947842154818
Energy: 1.4750704033358206
Energy: 1.2349129858423817
Energy: 1.5346988955113188
Energy: 1.5523928114831245
Energy: 1.6928027341401612
Energy: 1.199802498225475
Energy: 1.4750704033365365
Energy: 1.2349129858430976
Energy: 1.5346988955113188
Energy: 1.5523928114831245
Energy: 1.4462310587177534
Energy: 1.310799914124253
Energy: 1.5951442641474514
Energy: 1.5954393893526717
Energy: 1.2363323802295594
Energy: 1.9232196053204977
Energy: 1.446231058719185
Energy: 1.3107999141256848
Energy: 1.5951442641474514
Energy: 1.5954393893533876
Energy: 1.1870135073406247
Energy: 1.5724045244167988
Energy: 1.236927425758759
Energy: 1.6079095619026487
Energy: 1.2368573289395492
Energy: 1.3626663968109387
Energy: 1.1870135073406247
Energy: 1.572404524416083
Energy: 1.236927425759475
Energy: 1.6079095619026487
Energy: 1.4461589679826676
Energy: 1.5812104788414758
Energy: 1.2362643707741552
Energy: 1.3665444631251078
Energy: 1.5954030388834088
Energy: 1.3102791118486934
Energy: 1.4461589679833835
Energy: 1.5812104788414758
Energy: 1.2362643707727234
Energy: 1.3665444631251078
Energy: 1.475186056048723
Energy: 1.1992350203967999
Energy: 1.6928233480623274
Energy: 1.5525522797450793
Energy: 1.53464399597589
Energy: 1.2348947842154818
Energy: 1.475186056048723
Energy: 1.1992350203967999
Energy: 1.6928233480608954
Energy: 1.5525522797450793
Energy: 1.6928027341387295
Energy: 1.199802498225475
Energy: 1.4750704033365365
Energy: 1.2349129858423817
Energy: 1.5346988955113188
Energy: 1.5523928114831245
Energy: 1.6928027341394454
Energy: 1.199802498225475
Energy: 1.4750704033372526
Energy: 1.2349129858430976
Energy: 1.2363323802274118
Energy: 1.9232196053204977
Energy: 1.4462310587184692
Energy: 1.310799914124253
Energy: 1.5951442641467355
Energy: 1.5954393893526717
Energy: 1.23633238022598
Energy: 1.9232196053204977
Energy: 1.4462310587177534
Energy: 1.310799914124253
Energy: 1.2368573289395492
Energy: 1.3626663968109387
Energy: 1.1870135073406247
Energy: 1.572404524416083
Energy: 1.236927425759475
Energy: 1.6079095619026487
Energy: 1.2368573289395492
Energy: 1.3626663968116544
Energy: 1.1870135073406247
Energy: 1.572404524416083
Energy: 1.5954030388834088
Energy: 1.3102791118486934
Energy: 1.4461589679826676
Energy: 1.5812104788393282
Energy: 1.2362643707741552
Energy: 1.3665444631251078
Energy: 1.5954030388834088
Energy: 1.3102791118486934
Energy: 1.4461589679833835
Energy: 1.5812104788407602

minimum gb energy = 1.1870135073406247 eV
minimum distance =  2.32350163614619 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.7683305006412646
Energy: 1.8078344445215397
Energy: 1.5486786913065045
Energy: 1.8992126522586408
Energy: 1.5488133005463471
Energy: 1.8055056230433615
Energy: 1.7683305006406158
Energy: 1.8078344445221886
Energy: 1.54867869130618
Energy: 1.8992126522583161
Energy: 1.7007410666250284
Energy: 1.8407086966445265
Energy: 1.6410461517733042
Energy: 1.5001482670215924
Energy: 1.4981440970120028
Energy: 1.6802446382816527
Energy: 1.700741066625353
Energy: 1.8407086966435533
Energy: 1.6410461517729795
Energy: 1.5001482670215924
Energy: 1.69753102325593
Energy: 1.7361779250713547
Energy: 1.9405092937139017
Energy: 1.5831002702318078
Energy: 1.8285437307042145
Energy: 1.6199431590136961
Energy: 1.6975310232556053
Energy: 1.7361779250716793
Energy: 1.9405092937142259
Energy: 1.5831002702314834
Energy: 1.7797035321089811
Energy: 1.5948405449896588
Energy: 1.483444824272883
Energy: 1.4998571093823896
Energy: 1.6572203143635715
Energy: 1.4992181247330705
Energy: 1.7797035321099548
Energy: 1.594840544988685
Energy: 1.483444824272883
Energy: 1.4998571093823896
Energy: 1.6857662754192992
Energy: 1.7374583543724673
Energy: 1.5623444551675183
Energy: 1.6786146749252338
Energy: 1.4575704756690706
Energy: 1.6045369570794386
Energy: 1.685766275419948
Energy: 1.7130905488345574
Energy: 1.562344455167843
Energy: 1.678614674924585
Energy: 1.6926777040697571
Energy: 1.7527515594388163
Energy: 1.6357443716523419
Energy: 1.8083431465340305
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Energy: 1.9200084986922623
Energy: 1.6926777040687835
Energy: 1.7527515594397898
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Energy: 1.8083431465327326
Energy: 1.768608332274623
Energy: 1.5745349307099177
Energy: 1.584101773808044
Energy: 1.497760334197846
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Energy: 1.5865609229916864
Energy: 1.768608332274623
Energy: 1.574534930710242
Energy: 1.584101773807395
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Energy: 1.7781067939382638
Energy: 1.635196758920949
Energy: 1.5435009822305492
Energy: 1.9704478524438949
Energy: 1.6278996985744598
Energy: 1.8288731924465254
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Energy: 1.6351967589219223
Energy: 1.543500982231198
Energy: 1.710100408818449
Energy: 1.6776707583221664
Energy: 1.8421066882816532
Energy: 1.6656154680890387
Energy: 1.4928858924131703
Energy: 1.44619135311088
Energy: 1.7101004088178
Energy: 1.677670758320868
Energy: 1.8421066882813288
Energy: 1.6656154680887143
Energy: 1.5419238194770197
Energy: 1.5959109516225989
Energy: 1.766219652954993
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Energy: 1.6104249966572688
Energy: 1.8885646722090645
Energy: 1.5419238194770197
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Energy: 1.930750024922945
Energy: 1.5098227784535938
Energy: 1.8617814906609413
Energy: 1.593469277534504
Energy: 1.6101758315950967
Energy: 1.4850318499519601
Energy: 1.5881807094308007
Energy: 1.5098227784529448
Energy: 1.8617814906615904
Energy: 1.5934692775341794
Energy: 1.6101758315941233
Energy: 1.638448617637097
Energy: 1.610304693132744
Energy: 1.7301495103712632
Energy: 1.5926410799506194
Energy: 1.8143320295556378
Energy: 1.4684021705327732
Energy: 1.638448617637097
Energy: 1.610304693132744
Energy: 1.7301495103709388
Energy: 1.5926410799509436
Energy: 1.862072126691054
Energy: 1.6822408193690206
Energy: 1.7480445350425187
Energy: 1.6792448197645107
Energy: 1.6761531026712706
Energy: 1.4560649229944362
Energy: 1.862072126691054
Energy: 1.6822408193686962
Energy: 1.7480445350431675
Energy: 1.6792448197645107
Energy: 1.5014927627978596
Energy: 1.6495169064209023
Energy: 1.613473678916922
Energy: 1.6596146601168893
Energy: 1.5348735577856698
Energy: 1.5673763725512246
Energy: 1.5014927627978596
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Energy: 1.6134736789165973
Energy: 1.6596146601172137
Energy: 1.6389287866003168
Energy: 1.9697823283107756
Energy: 1.6772328424088687
Energy: 1.6318182273797666
Energy: 1.5919639067695213
Energy: 1.9653893713194317
Energy: 1.6389287865999924
Energy: 1.9697823283107756
Energy: 1.6772328424088687
Energy: 1.6318182273804154
Energy: 1.4558126575072388
Energy: 1.6602936988096355
Energy: 1.6694379655893024
Energy: 1.7434559169989121
Energy: 1.7083711718880596
Energy: 1.501423890025342
Energy: 1.4558126575078878
Energy: 1.6602936988096355
Energy: 1.6694379655883291
Energy: 1.7434559169992365
Energy: 1.8688352653779325
Energy: 1.5351213150874592
Energy: 1.6692865939804171
Energy: 1.7592171504187621
Energy: 1.821218656963468
Energy: 1.6686545570748874
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Energy: 1.6692865939807418
Energy: 1.7592171504194114
Energy: 1.598458081985733
Energy: 1.4898624096478685
Energy: 1.6870019235859903
Energy: 1.595221075656689
Energy: 1.7228798087329058
Energy: 1.5493656191595258
Energy: 1.5984580819873557
Energy: 1.4898624096491664
Energy: 1.6870019235869638
Energy: 1.595221075657338
Energy: 1.4251666655373725
Energy: 1.6472023380280214
Energy: 1.5992185054747103
Energy: 1.7548604069778224
Energy: 1.6125648291779742
Energy: 1.8796013060166845
Energy: 1.425166665537048
Energy: 1.6472023380283458
Energy: 1.5992185054750347
Energy: 1.7548604069771734
Energy: 1.5116028748320502
Energy: 1.84893495394006
Energy: 1.6752592476715173
Energy: 1.721420514280674
Energy: 1.67984756813673
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Energy: 1.8489349539397353
Energy: 1.6752592476728156
Energy: 1.7214205142803494
Energy: 1.610198408622384
Energy: 1.4486999892270045
Energy: 1.4981702819414953
Energy: 1.5947640370353753
Energy: 1.7280648044456421
Energy: 1.506604703827433
Energy: 1.610198408621086
Energy: 1.4486999892270045
Energy: 1.4981702819411709
Energy: 1.5947640370357
Energy: 1.9834008707552908
Energy: 1.6201871684048301
Energy: 1.912951421497886
Energy: 1.6870447260996113
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Energy: 1.6202176473222543
Energy: 1.9834008707556154
Energy: 1.6201871684048301
Energy: 1.9129514214982104
Energy: 1.6870447260996113
Energy: 1.5083650252205567
Energy: 1.465267005246852
Energy: 1.6350299859958244
Energy: 1.6732477742546419
Energy: 1.6937306839950337
Energy: 1.5723431263808998
Energy: 1.5083650252195833
Energy: 1.465267005246852
Energy: 1.6350299859958244
Energy: 1.6732477742549665
Energy: 1.6587479707823047
Energy: 1.9085094850450446
Energy: 1.482973691006946
Energy: 1.7322463379198143
Energy: 1.7755668649753034
Energy: 1.7143818364022403
Energy: 1.6587479707832782
Energy: 1.9085094850450446
Energy: 1.4829736910059725
Energy: 1.732246337920139
Energy: 1.5724210147693252
Energy: 1.5832749695808659
Energy: 1.4499896159761472
Energy: 1.7617773181969123
Energy: 1.554370491291291
Energy: 1.8084991341478969
Energy: 1.5724210147696496
Energy: 1.5832749695815151
Energy: 1.4499896159761472
Energy: 1.7617773181969123
Energy: 1.7875866115431538
Energy: 1.4721109552389149
Energy: 1.5877961316888498
Energy: 1.5612469881096558
Energy: 1.720034131544206
Energy: 1.6113721852250769
Energy: 1.7875866115493195
Energy: 1.4721109552395637
Energy: 1.5877961316901479
Energy: 1.5612469881093312
Energy: 1.5272280955207465
Energy: 1.4998607717391519
Energy: 1.6104094539130955
Energy: 1.5702167497974413
Energy: 1.7320658936170477
Energy: 1.7381113864681355
Energy: 1.5272280955223692
Energy: 1.4998607717388275
Energy: 1.6104094539130955
Energy: 1.5702167497964679
Energy: 1.5151303186802108
Energy: 1.7086595238475932
Energy: 1.463510768774869
Energy: 1.5520248814193376
Energy: 1.6986149796650616
Energy: 1.645496789632047
Energy: 1.5151303186798863
Energy: 1.7086595238475932
Energy: 1.463510768775518
Energy: 1.5520248814186886
Energy: 1.675630272082815
Energy: 1.9381164167657556
Energy: 1.5869993387364052
Energy: 1.9076153535156783
Energy: 1.6671075377866431
Energy: 1.689161640052209
Energy: 1.675630272082815
Energy: 1.9381164167657556
Energy: 1.5869993387370542
Energy: 1.9076153535150295
Energy: 1.5625995389760676
Energy: 1.5662404980293871
Energy: 1.4861917108917972
Energy: 1.4667531746038105
Energy: 1.6507636614721133
Energy: 1.624075160790348
Energy: 1.5625995389757432
Energy: 1.5662404980297115
Energy: 1.4861917108921219
Energy: 1.4667531746047837
Energy: 1.7400017137206338
Energy: 1.6131185772885515
Energy: 1.9269426619589796
Energy: 1.4842966161866278
Energy: 1.9322980575054824
Energy: 1.683907088622348
Energy: 1.7400017137196602
Energy: 1.6131185772882268
Energy: 1.9269426619596286
Energy: 1.4842966161872768
Energy: 1.7105232890041198
Energy: 1.648244465912855
Energy: 1.5462386113258793
Energy: 1.4358400411204721
Energy: 1.71378834609342
Energy: 1.5819457140201811
Energy: 1.7105232890041198
Energy: 1.6482444659131794
Energy: 1.5462386113258793
Energy: 1.435840041119823
Energy: 1.6278606835312674
Energy: 1.82611640135706
Energy: 1.5779900406232312
Energy: 1.7482067056900217
Energy: 1.5455730935166843
Energy: 1.6684351591247242
Energy: 1.627860683530943
Energy: 1.8261164013573847
Energy: 1.5779900406235559
Energy: 1.7482067056900217
Energy: 1.640608913155
Energy: 1.5704185796580001
Energy: 1.5437496561994617
Energy: 1.5128220115419035
Energy: 1.5189718257191263
Energy: 1.824708063686415
Energy: 1.6406089131540265
Energy: 1.570418579649887
Energy: 1.5437496562001107
Energy: 1.5128220115425528
Energy: 1.7087644973208853
Energy: 1.5466058248104264
Energy: 1.7279305902343016
Energy: 1.4401042365608856
Energy: 1.59048136567195
Energy: 1.6088300527692727
Energy: 1.7087644973202363
Energy: 1.5466058248104264
Energy: 1.7279305902352753
Energy: 1.4401042365608856
Energy: 1.7331400569510518
Energy: 1.7045177463262233
Energy: 1.7868175293272779
Energy: 1.4957539870143615
Energy: 1.925862528802646
Energy: 1.6732404985685303
Energy: 1.7331400569494293
Energy: 1.7045177463262233
Energy: 1.786817529328251
Energy: 1.495753987014686
Energy: 1.5829182115981482
Energy: 1.6228955930847087
Energy: 1.6196720763883017
Energy: 1.6381321031487521
Energy: 1.4807348688247268
Energy: 1.566635813868952
Energy: 1.5829182115971745
Energy: 1.6228955930837352
Energy: 1.619672076388951
Energy: 1.6381321031487521
Energy: 1.7057452906187724
Energy: 1.6266566910969116
Energy: 1.5994625385736934
Energy: 1.9381771021580692
Energy: 1.645344712445732
Energy: 1.9385771243938337
Energy: 1.7057452906184478
Energy: 1.626656691097236
Energy: 1.5994625385743424
Energy: 1.9381771021583938
Energy: 1.5741163874568986
Energy: 1.6393962554386194
Energy: 1.6934632573904704
Energy: 1.5542613949148727
Energy: 1.4599180170189534
Energy: 1.6739620940854518
Energy: 1.5741163874562498
Energy: 1.6393962554246948
Energy: 1.693463257391444
Energy: 1.554261394913899
Energy: 1.6354154756366062
Energy: 1.7541495806120653
Energy: 1.8208857870354291
Energy: 1.6704994343564608
Energy: 1.8287246480773178
Energy: 1.500476941163972
Energy: 1.6354154756375796
Energy: 1.75414958061239
Energy: 1.820885787034456
Energy: 1.670499434356785
Energy: 1.8657154317683218
Energy: 1.5937322142715356
Energy: 1.7470213725232713
Energy: 1.5434039671779858
Energy: 1.6136901759870759
Energy: 1.4726216581197715
Energy: 1.8657154317679974
Energy: 1.5937322142728338
Energy: 1.7470213725232713
Energy: 1.5434039671770121
Energy: 1.5437727316514607
Energy: 1.8446008502870501
Energy: 1.5724201776105158
Energy: 1.775984594948145
Energy: 1.445015102327751
Energy: 1.5708512678615225
Energy: 1.5437727316517853
Energy: 1.8446008502873745
Energy: 1.5724201776127875
Energy: 1.7759845949471718
Energy: 1.6653176549463318
Energy: 1.8192701895734025
Energy: 1.7526896175262097
Energy: 1.7153753844602022
Energy: 1.48440885003407
Energy: 1.7787151008771303
Energy: 1.6653176549460071
Energy: 1.8192701895727537
Energy: 1.7526896175265343
Energy: 1.7153753844611757
Energy: 1.5023400366648032
Energy: 1.687661553834672
Energy: 1.747849347988998
Energy: 1.67492118982397
Energy: 1.6249108380534458
Energy: 1.459487872319188
Energy: 1.5023400366651276
Energy: 1.6876615538336983
Energy: 1.747849347988998
Energy: 1.67492118982397
Energy: 1.9726046208024761
Energy: 1.6249225759956598
Energy: 1.6186203020117413
Energy: 1.6790922130075063
Energy: 1.929462657101619
Energy: 1.632468524514674
Energy: 1.9726046208021517
Energy: 1.6249225759950108
Energy: 1.6186203020107681
Energy: 1.6790922130065329
Energy: 1.65551911188454
Energy: 1.5853963314366024
Energy: 1.6446057494433473
Energy: 1.5808160597495287
Energy: 1.571493701128577
Energy: 1.4490817316639224
Energy: 1.655519111883891
Energy: 1.5853963314359534
Energy: 1.644605749440751
Energy: 1.5808160597482304
Energy: 1.5007087574267042
Energy: 1.7183696045882706
Energy: 1.6771632732450603
Energy: 1.7963844890029634
Energy: 1.6806779124005393
Energy: 1.8321345433336687
Energy: 1.5007087574270286
Energy: 1.7183696045872974
Energy: 1.6771632732457094
Energy: 1.7963844890026388
Energy: 1.435973415685721
Energy: 1.7680938328580365
Energy: 1.5783784315494587
Energy: 1.8409389908871736
Energy: 1.6091655964962222
Energy: 1.675902639745267
Energy: 1.4359734156840982
Energy: 1.7680938328586855
Energy: 1.578378431549783
Energy: 1.840938990886849
Energy: 1.5611738563263688
Energy: 1.5427384769853534
Energy: 1.566729896020933
Energy: 1.6265947549227469
Energy: 1.7049965425760223
Energy: 1.4860233445790638
Energy: 1.5611738563263688
Energy: 1.542738476985678
Energy: 1.566729896021582
Energy: 1.6265947549224224

minimum gb energy = 1.425166665537048 eV
minimum distance =  2.27384426064726 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.651102791775126
Energy: 1.8284110986248647
Energy: 1.6010524742228098
Energy: 1.854871135224759
Energy: 1.5917476635596903
Energy: 1.840927764143294
Energy: 1.6511027917763086
Energy: 1.8284110986236826
Energy: 1.6010524742239922
Energy: 1.8548711352259413
Energy: 1.6973935567788307
Energy: 1.8015936775654826
Energy: 1.673103352754295
Energy: 1.5448405880097968
Energy: 1.555149572513239
Energy: 1.7963225360244344
Energy: 1.6973935567800131
Energy: 1.8015936775643004
Energy: 1.6731033527554775
Energy: 1.5448405880086147
Energy: 1.752565111361133
Energy: 1.5951289361828493
Energy: 1.8469147128554075
Energy: 1.5211749907261
Energy: 1.953878026142423
Energy: 1.6076995338982407
Energy: 1.752565111361133
Energy: 1.5951289361816672
Energy: 1.8469147128542254
Energy: 1.5211749907272822
Energy: 1.9778365999624177
Energy: 1.6652686762554894
Energy: 1.8165007256979995
Energy: 1.4755594243073122
Energy: 1.5214563630340314
Energy: 1.6275641720615281
Energy: 1.9778365999624177
Energy: 1.6652686762519426
Energy: 1.8165007256968173
Energy: 1.4755594243084944
Energy: 1.6225826607158451
Energy: 1.5998460448466916
Energy: 1.5724612656837287
Energy: 1.848854303923679
Energy: 1.4983686540926215
Energy: 1.7221902123187807
Energy: 1.6225826607158451
Energy: 1.5998460448443268
Energy: 1.5724612656860932
Energy: 1.848854303923679
Energy: 1.6034206979879324
Energy: 1.763703403848657
Energy: 1.5408243833199295
Energy: 1.683125045664048
Energy: 1.556423389416895
Energy: 1.8497431743365027
Energy: 1.6034206979867498
Energy: 1.763703403848657
Energy: 1.5408243833211117
Energy: 1.6831250456652305
Energy: 1.8386471550060364
Energy: 1.591251358249424
Energy: 1.8297091843557969
Energy: 1.519044895866791
Energy: 1.657349799300463
Energy: 1.6008105115816567
Energy: 1.8386471550060364
Energy: 1.5912513582506063
Energy: 1.829709184356979
Energy: 1.519044895866791
Energy: 1.777208074739943
Energy: 1.612212405622062
Energy: 1.7875476878499632
Energy: 1.4835492513580528
Energy: 1.9299053141995586
Energy: 1.6565331240682741
Energy: 1.777208074739943
Energy: 1.612212405622062
Energy: 1.7875476878499632
Energy: 1.4835492513592348
Energy: 1.6842878269143713
Energy: 1.669677930619241
Energy: 1.726848064994793
Energy: 1.6753925777379222
Energy: 1.6021327229970888
Energy: 1.8279233069868954
Energy: 1.6842878269155537
Energy: 1.669677930618059
Energy: 1.726848064994793
Energy: 1.67539257773674
Energy: 1.6166610727049229
Energy: 1.5889214023828346
Energy: 1.5819886384061903
Energy: 1.7430622047497026
Energy: 1.6691789222229223
Energy: 1.945191252320892
Energy: 1.6166610727037405
Energy: 1.5889214023828346
Energy: 1.581988638405008
Energy: 1.7430622047485205
Energy: 1.7493168006885194
Energy: 1.6639541441754335
Energy: 1.692877908615041
Energy: 1.5391676363300943
Energy: 1.5673554204010631
Energy: 1.5878556589904627
Energy: 1.7493168006897017
Energy: 1.6639541441777979
Energy: 1.692877908613859
Energy: 1.539167636331277
Energy: 1.8974471651220972
Energy: 1.6103612574586244
Energy: 1.8560111233360588
Energy: 1.5614938181169133
Energy: 1.9067279145751483
Energy: 1.6123683382699932
Energy: 1.8974471651209148
Energy: 1.610361257457442
Energy: 1.8560111233348766
Energy: 1.5614938181180955
Energy: 1.4481960201188202
Energy: 1.6609100263247536
Energy: 1.5818489801849693
Energy: 1.485148504949121
Energy: 1.4854213945108428
Energy: 1.6620212013237323
Energy: 1.4481960208621405
Energy: 1.6609100263235712
Energy: 1.5818489801849693
Energy: 1.485148504949121
Energy: 1.642895659752755
Energy: 1.8279219103085533
Energy: 1.570511952288777
Energy: 1.8936087519499745
Energy: 1.5390994910030609
Energy: 1.807895894559564
Energy: 1.6428956597539373
Energy: 1.8279219103097357
Energy: 1.570511952288777
Energy: 1.8936087519499745

minimum gb energy = 1.4481960201188202 eV
minimum distance =  2.28345275443569 Angstroms
sigma value = 33