Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349978416387
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=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: 0.018146671303284338
Energy: 0.018404691348226324
Energy: 1.4669386282034351
Energy: 0.018404691348226324
Energy: 0.018404691348226324
Energy: 1.224320594529271
Energy: 0.018404691348226324
Energy: 1.22432059452861
Energy: 1.4669386282034351
Energy: 0.018404691348226324
Energy: 0.018146671303284338
Energy: 0.018404691348226324
Energy: 0.018404691348226324
Energy: 1.22432059452861
Energy: 0.018404691348226324
Energy: 1.224320594529271

minimum gb energy = 0.018146671303284338 eV
minimum distance =  2.42645596091887 Angstroms
sigma value = 1


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

Energy: 1.5683715058941319
Energy: 1.5483789016719167
Energy: 1.4556494389372792
Energy: 1.5483789016719167
Energy: 1.4453902650034023
Energy: 1.4949934136067307
Energy: 1.4530573964584779
Energy: 1.4949934136075325
Energy: 1.4030913749774039
Energy: 1.5344869525166573
Energy: 1.4888374322587212
Energy: 1.5344869525166573
Energy: 1.4369781754888997
Energy: 1.5070863327257702
Energy: 1.4015838195217984
Energy: 1.5070863327265716
Energy: 1.409009004718587
Energy: 1.5545762411677782
Energy: 1.4702485973251767
Energy: 1.5545762411677782
Energy: 1.378367334913708
Energy: 1.7187146680142134
Energy: 1.3768916406779124
Energy: 1.718714668015015
Energy: 1.4493581490008702
Energy: 1.5319393541206858
Energy: 1.3800391067818736
Energy: 1.5319393541206858
Energy: 1.3209133001895006
Energy: 1.5575996948919903
Energy: 1.3764567692558634
Energy: 1.5575996948911888
Energy: 1.4007394161976727
Energy: 1.7368679263909204
Energy: 1.4607688739485816
Energy: 1.7368679263901186
Energy: 1.3650356356406455
Energy: 1.5331768737873843
Energy: 1.3130181151271025
Energy: 1.533176873788186
Energy: 1.4731104860476973
Energy: 1.5133800206461137
Energy: 1.4006977831935647
Energy: 1.5133800206461137
Energy: 1.4634862277880778
Energy: 1.5548716974646797
Energy: 1.3808431895127848
Energy: 1.5548716974646797
Energy: 1.450948570414546
Energy: 1.5305680909580202
Energy: 1.4479435884668175
Energy: 1.530568090958822
Energy: 1.417334862463004
Energy: 1.539251278292636
Energy: 1.3897760207933496
Energy: 1.539251278292636
Energy: 1.4310052184285156
Energy: 1.5493595686181427
Energy: 1.4450631983308306
Energy: 1.5493595686181427
Energy: 1.4291542256240288
Energy: 1.548848800947159
Energy: 1.4444826481268926
Energy: 1.5488488009487624
Energy: 1.489031062250383
Energy: 1.5344855708636984
Energy: 1.3589374112317965
Energy: 1.5344855708645002
Energy: 1.453042158573705
Energy: 1.503381261021851
Energy: 1.483866844904052
Energy: 1.5033812610226527
Energy: 1.33489636719083
Energy: 1.554155232396414
Energy: 1.3792822347736564
Energy: 1.5541552323972156
Energy: 1.4836325310659075
Energy: 1.7155814406980066
Energy: 1.4031586366916662
Energy: 1.7155814406980066
Energy: 1.3798982541595843
Energy: 1.5345799524283812
Energy: 1.32589989608698
Energy: 1.534579952429183
Energy: 1.4010576105396462
Energy: 1.4249414378089629
Energy: 1.4627998042443708
Energy: 1.4249414378089629
Energy: 1.431239168253566
Energy: 1.5545557374317396
Energy: 1.3633972034608295
Energy: 1.5545557374317396
Energy: 1.413802526254971
Energy: 1.5303544666161133
Energy: 1.378308482927082
Energy: 1.5303544666169149
Energy: 1.380030517282711
Energy: 1.7189266862483454
Energy: 1.4481582793418926
Energy: 1.7189266862491472
Energy: 1.4057785249325954
Energy: 1.555462643259707
Energy: 1.3946161774128576
Energy: 1.5554626432589052
Energy: 1.440607048003601
Energy: 1.7472175110006698
Energy: 1.400629408262053
Energy: 1.7472175110014714
Energy: 1.3913185223155298
Energy: 1.5305488401690635
Energy: 1.545970709764328
Energy: 1.5305488401690635
Energy: 1.4442150388562598
Energy: 1.4913145346510972
Energy: 1.4477476186125482
Energy: 1.4913145346518988
Energy: 1.5149432817136461
Energy: 1.55003718025217
Energy: 1.463315572218991
Energy: 1.55003718025217
Energy: 1.4494429510759812
Energy: 1.537806792541687
Energy: 1.4509127097763976
Energy: 1.5378067925408854
Energy: 1.4157011094291687
Energy: 1.5297164883062482
Energy: 1.416816910957496
Energy: 1.5297164883078513
Energy: 1.4087944132641879
Energy: 1.5076951659265678
Energy: 1.4060162118304667
Energy: 1.507695165925766

minimum gb energy = 1.3130181151271025 eV
minimum distance =  2.24139046558997 Angstroms
sigma value = 1


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

Energy: 1.6646001119596543
Energy: 1.6474105192370472
Energy: 1.5480361710615327
Energy: 1.6474105192370472
Energy: 1.4951014390139592
Energy: 1.587867676615102
Energy: 1.5109115971099534
Energy: 1.58786767661236
Energy: 1.456265569115622
Energy: 1.6505578263149767
Energy: 1.531709050824259
Energy: 1.6505578263168048
Energy: 1.448691286866682
Energy: 1.4632441550537314
Energy: 1.4332300082506755
Energy: 1.4632441550555593
Energy: 1.4487834610031864
Energy: 1.6198576962147695
Energy: 1.5048636023174662
Energy: 1.6198576962120275
Energy: 1.5505671367637863
Energy: 1.6199917510627952
Energy: 1.532075231476425
Energy: 1.6199917510655375
Energy: 1.4950700706376492
Energy: 1.4636759128049155
Energy: 1.452865488051824
Energy: 1.4636759128058294
Energy: 1.3669791956387125
Energy: 1.651101434170995
Energy: 1.4208422457327357
Energy: 1.6511014341719088
Energy: 1.449377202212553
Energy: 2.0806127202687996
Energy: 1.550465239593055
Energy: 2.0806127202660574
Energy: 1.437371548133108
Energy: 1.6506352438847918
Energy: 1.50615834903436
Energy: 1.650635243885706
Energy: 1.4962224544226588
Energy: 1.5678188212257358
Energy: 1.5180949197367843
Energy: 1.5678188212275639
Energy: 1.4093943711238017
Energy: 1.6319499760615985
Energy: 1.4787007647105488
Energy: 1.6319499760606844
Energy: 1.534950265903999
Energy: 1.6144916997884398
Energy: 1.5007711747164203
Energy: 1.6144916997875256
Energy: 1.5348695209110095
Energy: 1.6145150409733826
Energy: 1.460095511363169
Energy: 1.6145150409733826
Energy: 1.4092308259902828
Energy: 1.6319306741210196
Energy: 1.5734538276858894
Energy: 1.6319306741191917
Energy: 1.4960849026001275
Energy: 1.5676704578404739
Energy: 1.5107644918145386
Energy: 1.567670457841388
Energy: 1.4376101256412042
Energy: 1.6503653819295347
Energy: 1.3902416831107527
Energy: 1.6503653819258788
Energy: 1.449540689903811
Energy: 2.080669915117317
Energy: 1.5503664370001606
Energy: 2.0806699151182304
Energy: 1.3669610028461994
Energy: 1.6504151229909836
Energy: 1.4208915582230601
Energy: 1.6504151229900694
Energy: 1.4950248288815204
Energy: 1.4634935379137233
Energy: 1.4330104048354884
Energy: 1.4634935379146374
Energy: 1.550476698697021
Energy: 1.6200157138877302
Energy: 1.402778855026058
Energy: 1.6200157138877302
Energy: 1.4490226109654052
Energy: 1.6198841232131649
Energy: 1.5061873086973134
Energy: 1.6198841232104229
Energy: 1.448851708689787
Energy: 1.463182216343713
Energy: 1.4303165199914463
Energy: 1.463182216343713
Energy: 1.4562733851977023
Energy: 1.6505762686457166
Energy: 1.576507594871124
Energy: 1.6505762686420604
Energy: 1.495252597302828
Energy: 1.5937149608899843
Energy: 1.5106720449319608
Energy: 1.5937149608881562
Energy: 1.6646001119596543
Energy: 1.6474105192370472
Energy: 1.5480361710615327
Energy: 1.6474105192370472
Energy: 1.4951014390139592
Energy: 1.587867676615102
Energy: 1.5109115971099534
Energy: 1.58786767661236
Energy: 1.456265569115622
Energy: 1.6505578263149767
Energy: 1.478894200975827
Energy: 1.6505578263168048
Energy: 1.448691286866682
Energy: 1.4632441550537314
Energy: 1.4332300082506755
Energy: 1.4632441550555593

minimum gb energy = 1.3669610028461994 eV
minimum distance =  2.23887762963016 Angstroms
sigma value = 25


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

Energy: 1.562414960321354
Energy: 1.7144424889782446
Energy: 1.7057430992257139
Energy: 1.714442488979307
Energy: 1.5882809431253515
Energy: 1.6419887791241472
Energy: 1.5242917031631855
Energy: 1.64198877912521
Energy: 1.530477075735873
Energy: 1.7695184857709458
Energy: 1.5312302120310084
Energy: 1.7695184857720085
Energy: 1.5327993450290507
Energy: 1.5399587567199908
Energy: 1.4860514340731081
Energy: 1.5399587567199908
Energy: 1.4869602600140528
Energy: 1.7421491145566217
Energy: 1.5840018679810763
Energy: 1.742149114555559
Energy: 1.638637757180207
Energy: 1.7677288227784176
Energy: 1.7469650328960469
Energy: 1.7677288227784176
Energy: 1.5862494692176794
Energy: 1.5252150997959208
Energy: 1.5246574463991966
Energy: 1.5252150997969833
Energy: 1.745277302164284
Energy: 1.7217083030794427
Energy: 1.4439306517418062
Energy: 1.7217083030794427
Energy: 1.5245257302880773
Energy: 1.6414989743954451
Energy: 1.586029072772192
Energy: 1.6414989743954451
Energy: 1.5267794238034473
Energy: 1.7682966644448583
Energy: 1.476276150592781
Energy: 1.7682966644459208
Energy: 1.58330099723852
Energy: 1.7120763685363647
Energy: 1.585980905491977
Energy: 1.7120763685374274
Energy: 1.5487289652882934
Energy: 1.7142927932855925
Energy: 1.5230926566696559
Energy: 1.7142927932855925
Energy: 1.5309616343794854
Energy: 1.6616344445515052
Energy: 1.4743231724366717
Energy: 1.661634444550443
Energy: 1.5241215283400744
Energy: 1.6301773760076477
Energy: 1.5979079026594327
Energy: 1.6301773760076477
Energy: 1.58479018962697
Energy: 1.7239162050901682
Energy: 1.4426105145594048
Energy: 1.7239162050901682
Energy: 1.5865781161428383
Energy: 1.533845309903524
Energy: 1.4861194852702166
Energy: 1.533845309903524
Energy: 1.42229716567973
Energy: 1.7697316624191817
Energy: 1.4221422194238234
Energy: 1.7697316624181192
Energy: 1.4856450697234194
Energy: 1.6517115050679452
Energy: 1.585344275153339
Energy: 1.6517115050668827
Energy: 1.5177316633551303
Energy: 1.6725383019907487
Energy: 1.4867874947822828
Energy: 1.6725383019907487
Energy: 1.598466257962629
Energy: 1.767304658650857
Energy: 1.5329648492409444
Energy: 1.767304658650857
Energy: 1.5341926827294399
Energy: 1.6411615668831006
Energy: 1.5232320420882166
Energy: 1.6411615668820378
Energy: 1.5636522852925006
Energy: 1.7156557329714008
Energy: 1.6500040924136288
Energy: 1.7156557329714008
Energy: 1.5863812616032604
Energy: 1.6520827042119757
Energy: 1.52309334464881
Energy: 1.6520827042119757
Energy: 1.528339555997078
Energy: 1.767928636527686
Energy: 1.527027115230708
Energy: 1.7679286365287483
Energy: 1.5869083253552558
Energy: 1.539620848519668
Energy: 1.4870163151377913
Energy: 1.539620848519668

minimum gb energy = 1.4221422194238234 eV
minimum distance =  2.23553365720376 Angstroms
sigma value = 9


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

Energy: 1.6298644721071553
Energy: 1.6301339637034507
Energy: 1.879308553821415
Energy: 1.6301339637034507
Energy: 1.568872132761825
Energy: 1.7266206352422822
Energy: 1.589206102279792
Energy: 1.7266206352422822
Energy: 1.605078689737741
Energy: 1.6469642700852922
Energy: 1.622638239413688
Energy: 1.6469642700852922
Energy: 1.8990643425594005
Energy: 1.614430011771039
Energy: 1.519727407923464
Energy: 1.6144300117697714
Energy: 1.7338353546603715
Energy: 1.7277708719454183
Energy: 1.8787202504165912
Energy: 1.7277708719454183
Energy: 1.4686375144329826
Energy: 1.6459948796425314
Energy: 1.6404963601476403
Energy: 1.6459948796437989
Energy: 1.584162964573282
Energy: 1.5189120497495947
Energy: 1.5199471796796316
Energy: 1.5189120497495947
Energy: 1.6666368838344867
Energy: 1.6458976352531631
Energy: 1.502124151562097
Energy: 1.645897635251896
Energy: 1.585008487092249
Energy: 1.7265402853598526
Energy: 1.6879260680264647
Energy: 1.7265402853598526
Energy: 1.6231174990172543
Energy: 1.6307671030588964
Energy: 1.6408475377958567
Energy: 1.6307671030576287
Energy: 1.528411248294754
Energy: 1.7432612991825982
Energy: 1.6055901640232955
Energy: 1.7432612991825982
Energy: 1.6247110013618116
Energy: 1.7165455810038452
Energy: 1.5199143036347194
Energy: 1.7165455810038452
Energy: 1.468343362393249
Energy: 1.6470653638644128
Energy: 1.6646526574399851
Energy: 1.6470653638669477
Energy: 1.6027309807726158
Energy: 1.6014941729029832
Energy: 1.5881939533156657
Energy: 1.6014941729017156
Energy: 1.4683545957144726
Energy: 1.6470802167751277
Energy: 1.6669481972402422
Energy: 1.6470802167763952
Energy: 1.6248074745471894
Energy: 1.7164354713119232
Energy: 1.5201381337380417
Energy: 1.7164354713131906
Energy: 1.5286521237984634
Energy: 1.7432858091101102
Energy: 1.620077281062356
Energy: 1.7432858091101102
Energy: 1.623151519027394
Energy: 1.630577773311637
Energy: 1.641006260777563
Energy: 1.6305777733129045
Energy: 1.5848223364119245
Energy: 1.7268995484715794
Energy: 1.5893720268887914
Energy: 1.7268995484715794
Energy: 1.666816750193256
Energy: 1.6461403695142487
Energy: 1.5021202926282637
Energy: 1.6461403695142487
Energy: 1.584034961962388
Energy: 1.5190117162743133
Energy: 1.520134022563337
Energy: 1.5190117162743133

minimum gb energy = 1.468343362393249 eV
minimum distance =  2.32865552136295 Angstroms
sigma value = 25


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

Energy: 1.541355693403599
Energy: 1.889730024263405
Energy: 1.7424839119532287
Energy: 1.889730024263405
Energy: 1.5136640752818562
Energy: 1.5554245826855073
Energy: 1.493900264801594
Energy: 1.5554245826839397
Energy: 1.7040793005175607
Energy: 1.7958692831929854
Energy: 1.494283349986349
Energy: 1.7958692831961205
Energy: 1.5398741627654438
Energy: 1.778275800254073
Energy: 1.7532810182564091
Energy: 1.7782758002587757
Energy: 1.7526503678128602
Energy: 1.5133344474034158
Energy: 1.4938094797966648
Energy: 1.5133344474034158
Energy: 1.4934117599148478
Energy: 1.7943756061843616
Energy: 1.702636730522146
Energy: 1.7943756061843616
Energy: 1.4951196043162462
Energy: 1.7350541729707072
Energy: 1.4933525573201294
Energy: 1.7350541729707072
Energy: 1.7325647866855867
Energy: 1.6297329781255658
Energy: 1.5403715618287608
Energy: 1.629732978131836
Energy: 1.4941849414001327
Energy: 1.6329953697468265
Energy: 1.5159390796893373
Energy: 1.6329953697468265
Energy: 1.7931329023281541
Energy: 1.6616449391181916
Energy: 1.7023600007402626
Energy: 1.661644939119759
Energy: 1.647341936312504
Energy: 1.7774753704454347
Energy: 1.985850103833337
Energy: 1.7774753704454347
Energy: 1.4937663568897068
Energy: 1.5623133403505336
Energy: 1.7939583751463353
Energy: 1.5623133403505336
Energy: 1.7423759403747265
Energy: 1.7948994954963546
Energy: 1.4933178819818838
Energy: 1.7948994954963546
Energy: 1.4940648924161766
Energy: 1.7599400705665413
Energy: 1.7501799256594628
Energy: 1.7599400705665413
Energy: 1.4936821488429128
Energy: 1.7572596173110868
Energy: 1.7325516993464547
Energy: 1.757259616881792
Energy: 1.5133394783072878
Energy: 1.6620904666115954
Energy: 1.493513287463873
Energy: 1.6620904666100278
Energy: 1.493420440136136
Energy: 1.6379693914003965
Energy: 1.7934976626208596
Energy: 1.6379693914003965

minimum gb energy = 1.4933178819818838 eV
minimum distance =  2.32101765137526 Angstroms
sigma value = 17


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

Energy: 1.6731341132641728
Energy: 1.6736669063767893
Energy: 2.028298195410423
Energy: 1.6736669063767893
Energy: 1.7634049777060765
Energy: 1.7048434379746589
Energy: 1.5267604696460717
Energy: 1.7048434379746589
Energy: 1.9351891599716593
Energy: 1.6648403718637692
Energy: 1.525404840817602
Energy: 1.6648403718637692
Energy: 1.5278586104039873
Energy: 1.8661098805717358
Energy: 1.6836195681560149
Energy: 1.8661098805726235
Energy: 1.8239183959558078
Energy: 1.6445500484835123
Energy: 1.6010343982212383
Energy: 1.6445500484835123
Energy: 1.5449739030212946
Energy: 1.696562221225468
Energy: 1.9025409593801048
Energy: 1.6965622212263558
Energy: 1.5278751239766053
Energy: 1.7024884986739879
Energy: 1.6149340356120336
Energy: 1.7024884986748756
Energy: 1.9341082013884363
Energy: 1.6953002087063302
Energy: 1.5430748702665997
Energy: 1.6953002087063302
Energy: 1.5442456951181973
Energy: 1.6982252231038606
Energy: 1.8178722449072413
Energy: 1.6982252231020851
Energy: 1.9249768832948917
Energy: 1.6431262739563095
Energy: 1.5262077144546284
Energy: 1.6431262739563095
Energy: 1.5315836420672737
Energy: 1.7083305838819673
Energy: 1.9316126020947864
Energy: 1.7083305838819673
Energy: 1.5445979292719538
Energy: 1.7004912631294564
Energy: 1.5447725715007807
Energy: 1.7004912631294564
Energy: 1.7554258762672919
Energy: 1.6736266351581537
Energy: 1.6799326767441531
Energy: 1.6736266351581537
Energy: 1.5254906992980215
Energy: 1.7231608615308112
Energy: 1.7653965762392703
Energy: 1.723160861531699
Energy: 1.697201022492487
Energy: 1.7034133963646976
Energy: 1.5442519563260426
Energy: 1.7034133963646976
Energy: 1.7595297856071406
Energy: 1.694815473924308
Energy: 1.794165398232957
Energy: 1.694815473925196
Energy: 1.6142264925067904
Energy: 1.7650869687844695
Energy: 1.9347050932680405
Energy: 1.7650869687844695
Energy: 1.874947493066297
Energy: 1.6688031778922292
Energy: 1.5447971280722856
Energy: 1.6688031778922292
Energy: 1.694401088287964
Energy: 1.761696566807359
Energy: 1.6325787559933507
Energy: 1.7616965668064712
Energy: 1.613347178266485
Energy: 1.8670242922895344
Energy: 1.6629718406837641
Energy: 1.8670242922886466
Energy: 1.6587808483600752
Energy: 1.6637406607373362
Energy: 1.788542282620195
Energy: 1.6637406607373362
Energy: 1.6135197667004613
Energy: 1.8469693698412324
Energy: 1.9603983477930271
Energy: 1.8469693698403447
Energy: 1.8092163054986934
Energy: 1.6739910255371235
Energy: 1.524785844033298
Energy: 1.6739910255362356
Energy: 1.5448995764764029
Energy: 1.7615716868263374
Energy: 1.9156468357316314
Energy: 1.7615716868254496
Energy: 1.6418482236544476
Energy: 1.664052339210612
Energy: 1.9201041875571387
Energy: 1.664052339210612
Energy: 1.8101361876093667
Energy: 1.708703119704625
Energy: 1.526834951734517
Energy: 1.7087031197055125
Energy: 1.5674946393557838
Energy: 1.7742848035373373
Energy: 1.9916379367585597
Energy: 1.774284803535562
Energy: 1.7564622879271523
Energy: 1.6951900138478777
Energy: 1.7902569435349835
Energy: 1.69519001384699
Energy: 1.899316880114297
Energy: 1.8113710372784098
Energy: 1.5271836362737434
Energy: 1.8113710372784098
Energy: 1.5427064333672924
Energy: 1.7591645062802068
Energy: 1.8735989232397599
Energy: 1.7591645062802068

minimum gb energy = 1.524785844033298 eV
minimum distance =  2.21524851920774 Angstroms
sigma value = 53


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

Energy: 1.4290652468850975
Energy: 1.4287322989134048
Energy: 1.9726633845003394
Energy: 1.4287322989113609
Energy: 1.7944557586050045
Energy: 1.621673060864026
Energy: 1.7908458751077927
Energy: 1.6216730608660697
Energy: 1.4606052330156765
Energy: 1.4286140946702335
Energy: 1.7673138959600458
Energy: 1.4286140946722774
Energy: 1.4607121479335858
Energy: 1.4287117295459388
Energy: 1.6583409243558682
Energy: 1.428711729543895
Energy: 1.794520550026147
Energy: 1.621616361000678
Energy: 1.7358205481959406
Energy: 1.621616361000678
Energy: 1.4290652468850975
Energy: 1.4287322989113609
Energy: 1.9726613086873936
Energy: 1.4287322989113609
Energy: 1.7944557586050045
Energy: 1.621673060864026
Energy: 1.7908458751077927
Energy: 1.621673060864026
Energy: 1.4606052330136325
Energy: 1.4286140946722774
Energy: 1.767313895958002
Energy: 1.4286140946722774
Energy: 1.4607121479335858
Energy: 1.4287117295459388
Energy: 1.631329510378745
Energy: 1.4287117295459388
Energy: 1.794520550026147
Energy: 1.621616361000678
Energy: 1.7301242431773445
Energy: 1.621616361000678
Energy: 1.4290652468850975
Energy: 1.4287322989134048
Energy: 2.146357568818742
Energy: 1.4287322989113609
Energy: 1.7944557586050045
Energy: 1.621673060864026
Energy: 1.79084587510979
Energy: 1.621673060864026
Energy: 1.4606052330156765
Energy: 1.4286140946702335
Energy: 1.767313895958002
Energy: 1.4286140946722774

minimum gb energy = 1.4286140946702335 eV
minimum distance =  2.29631811899917 Angstroms
sigma value = 9


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

Energy: 1.6367986200512354
Energy: 1.7981292677878955
Energy: 2.1954497030463083
Energy: 1.798129267787139
Energy: 1.9738047082543617
Energy: 1.7238814130242286
Energy: 1.6146094538062474
Energy: 1.723881413024985
Energy: 1.6350460640383888
Energy: 1.5544180619032908
Energy: 1.577463561501937
Energy: 1.5544180619010215
Energy: 1.8882888570355252
Energy: 1.886700674392655
Energy: 1.6312765680764445
Energy: 1.8867006743903858
Energy: 1.9464061683380378
Energy: 1.6730776972012191
Energy: 1.6156580366521092
Energy: 1.6730776972004626
Energy: 1.6178385840883802
Energy: 1.6197072261204781
Energy: 1.9129184205602279
Energy: 1.6197072261197218
Energy: 2.174261921699685
Energy: 1.6398616212346901
Energy: 1.6473590910035811
Energy: 1.6398616212339336
Energy: 1.6465793219516578
Energy: 1.8957599721108849
Energy: 1.8180414945471952
Energy: 1.8957599721108849
Energy: 1.6388202363360151
Energy: 1.8928379532558535
Energy: 1.6175829071363566
Energy: 1.8928379532543405
Energy: 1.6729247543521484
Energy: 1.7094674802935774
Energy: 1.6775200555342995
Energy: 1.7094674802920646
Energy: 1.6310258048942454
Energy: 1.7600175395483633
Energy: 2.109550154453454
Energy: 1.7600175395506328
Energy: 1.899792030525384
Energy: 1.7532073843867682
Energy: 1.6518037262956393
Energy: 1.7532073843860116
Energy: 1.6205648815194913
Energy: 1.6821487064873875
Energy: 1.9677116918774156
Energy: 1.6821487064896568
Energy: 1.8861601638236778
Energy: 1.7978734526257378
Energy: 1.5811024800438203
Energy: 1.797873452630964
Energy: 1.6200871441911924
Energy: 1.7537577579888908
Energy: 1.8592332414065988
Energy: 1.753757757987378
Energy: 1.624905314999602
Energy: 1.8913078881803878
Energy: 1.8477192223191428
Energy: 1.8913078881796315
Energy: 1.7557611984684216
Energy: 1.8603019806340084
Energy: 1.6213840992992534
Energy: 1.8603019806340084
Energy: 1.6317233522380277
Energy: 1.6402286241216595
Energy: 1.9460174341478544
Energy: 1.640228624122416
Energy: 1.9981562070267884
Energy: 1.7451915047250215
Energy: 1.6216758048997528
Energy: 1.7451915047242652
Energy: 1.6154478786566653
Energy: 1.6987156575025946
Energy: 1.8644945220600524
Energy: 1.6987156575041074
Energy: 1.8258165768029329
Energy: 1.8842682404365179
Energy: 1.838320782457201
Energy: 1.8842682404357614
Energy: 1.7656220763076687
Energy: 1.5804011863164906
Energy: 1.6426233257484832
Energy: 1.5804011863164906
Energy: 1.617096428072967
Energy: 1.7120735936839713
Energy: 1.7224515191437286
Energy: 1.7120735936847278
Energy: 2.076244500157454
Energy: 1.7591967141264702
Energy: 1.6265627385799437
Energy: 1.7591967141264702
Energy: 1.6170908254193064
Energy: 1.763245121376904
Energy: 2.0902362468751354
Energy: 1.7632451213761475
Energy: 1.7154956412825277
Energy: 1.5541454072185106
Energy: 1.6160945621139622
Energy: 1.5541454072200234
Energy: 1.7460608488115663
Energy: 1.856774464406913
Energy: 1.8768547815304324
Energy: 1.8567744644076696
Energy: 1.6374687719294823
Energy: 1.8274722390059044
Energy: 1.8879943177659597
Energy: 1.8274722390066613
Energy: 1.7302756786130151
Energy: 1.5529729848425666
Energy: 1.6146081361787368
Energy: 1.5529729848425666
Energy: 1.6165991851455408
Energy: 1.7870347440372782
Energy: 2.0889219530532652
Energy: 1.7870347440380345
Energy: 1.987409407453081
Energy: 1.7204019490750984
Energy: 1.6250237518269826
Energy: 1.7204019490735856
Energy: 1.6199842193652962
Energy: 1.706975416240708
Energy: 1.6999316307292134
Energy: 1.7069754162414645
Energy: 1.672393692803457
Energy: 1.7771491264938195
Energy: 1.6428195431529127
Energy: 1.7771491264938195
Energy: 1.844372862386972
Energy: 1.9250511933055512
Energy: 1.8282420711676235
Energy: 1.9250511933063077
Energy: 1.61131362622768
Energy: 1.966020501035365
Energy: 2.1002745377481373
Energy: 1.9660205010346088

minimum gb energy = 1.5529729848425666 eV
minimum distance =  2.23936606853978 Angstroms
sigma value = 73


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

Energy: 1.6672657393907153
Energy: 1.667311003257799
Energy: 2.051592394023548
Energy: 1.667311003257799
Energy: 1.713653122101888
Energy: 1.7038913047918571
Energy: 1.5534073966444564
Energy: 1.7038913047918571
Energy: 1.6783864375445348
Energy: 1.6656645749925554
Energy: 1.590858162890436
Energy: 1.6656645749925554
Energy: 1.6868382162884021
Energy: 1.7995152017041243
Energy: 1.5986283198257152
Energy: 1.7995152017041243
Energy: 1.6952684072362294
Energy: 1.7215876433944461
Energy: 1.5895322690790432
Energy: 1.7215876433944461
Energy: 1.6295237190590748
Energy: 1.600306067548199
Energy: 2.0992034339680026
Energy: 1.600306067548199
Energy: 2.173650662928149
Energy: 1.8136265100812867
Energy: 1.6534667738231439
Energy: 1.8136265100800866
Energy: 1.6588773111688089
Energy: 1.553077092987003
Energy: 1.9314288326357985
Energy: 1.5530770929882032
Energy: 2.0965378583691354
Energy: 1.5534974119551903
Energy: 1.553550254206189
Energy: 1.5534974119563905
Energy: 1.5539266933969487
Energy: 1.7753646327054304
Energy: 1.5526326506661963
Energy: 1.7753646327078307
Energy: 1.612239545332582
Energy: 1.553430303886861
Energy: 1.973810444851893
Energy: 1.553430303886861
Energy: 1.7854715643213284
Energy: 1.7991960386181
Energy: 1.6441707035531765
Energy: 1.7991960386193002
Energy: 1.6277074736086763
Energy: 1.6759701113541652
Energy: 1.910122528596216
Energy: 1.675970111352965
Energy: 2.076780209527532
Energy: 1.7815925123713376
Energy: 1.6829468483790202
Energy: 1.7815925123701375
Energy: 1.6337086716231244
Energy: 1.8137565124400927
Energy: 1.9969592351707
Energy: 1.8137565124400927
Energy: 1.9988777894962688
Energy: 1.5532775072737859
Energy: 1.6562711253825366
Energy: 1.5532775072725855
Energy: 1.6656307905197407
Energy: 1.6677966067018608
Energy: 1.553978572770152
Energy: 1.6677966067018608
Energy: 1.6663330659469209
Energy: 1.798728080689644
Energy: 1.651997897849812
Energy: 1.798728080689644
Energy: 1.7943127114284743
Energy: 1.5528858777286416
Energy: 1.654823918255574
Energy: 1.5528858777286416
Energy: 1.6365180199294498
Energy: 1.7501020129036367
Energy: 2.050340617772784
Energy: 1.7501020129036367
Energy: 2.087347082122049
Energy: 1.6003792367691434
Energy: 1.6836672682959655
Energy: 1.6003792367703435
Energy: 1.5985930605862972
Energy: 1.7144127354163838
Energy: 1.860928283799377
Energy: 1.7144127354163838

minimum gb energy = 1.5526326506661963 eV
minimum distance =  2.25083158261719 Angstroms
sigma value = 7


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

Energy: 1.5805069263930094
Energy: 1.5816045803340586
Energy: 2.1588551191258767
Energy: 1.5816045803340586
Energy: 2.032485957172335
Energy: 1.7298445352669263
Energy: 1.6105047219908695
Energy: 1.729844535269472
Energy: 1.6327181467451426
Energy: 1.8229947982987178
Energy: 1.590026331721887
Energy: 1.8229947982995665
Energy: 1.588977337627862
Energy: 1.6874613011354487
Energy: 1.6104953885044133
Energy: 1.6874613011346002
Energy: 1.6290430889887644
Energy: 1.6852028398031602
Energy: 1.575826327566233
Energy: 1.6852028398048577
Energy: 1.6284309074688799
Energy: 1.580532819654728
Energy: 2.0481476636577645
Energy: 1.580532819656425
Energy: 1.7536768236787919
Energy: 1.8313485786176094
Energy: 1.590878055344409
Energy: 1.8313485786193067
Energy: 1.6289163857966102
Energy: 1.5810604593209585
Energy: 2.1286661857950464
Energy: 1.5810604593209585
Energy: 1.7780900766188343
Energy: 1.671975293315635
Energy: 1.6368464496202422
Energy: 1.6719752933164838
Energy: 1.6085208439787717
Energy: 1.6882493531352507
Energy: 1.7499627380362235
Energy: 1.688249353131856
Energy: 1.5865132069490397
Energy: 1.8228886563072715
Energy: 1.575226967522184
Energy: 1.82288865630812
Energy: 1.581782158628278
Energy: 1.6845990973139895
Energy: 1.5755293503416765
Energy: 1.6845990973131406
Energy: 1.5810541116470829
Energy: 1.583822833305138
Energy: 1.5767004734458945
Energy: 1.583822833303441
Energy: 1.5902607824241537
Energy: 1.5747340012336069
Energy: 1.6380934857182612
Energy: 1.5747340012361526
Energy: 1.6093807314169273
Energy: 1.8831354885339806
Energy: 1.8063608582017365
Energy: 1.8831354885365263
Energy: 2.205343826975885
Energy: 1.5726274881731732
Energy: 1.6532517737411672
Energy: 1.572627488174022
Energy: 1.6085698471907766
Energy: 1.6855046324267273
Energy: 1.7818079358897831
Energy: 1.685504632427576
Energy: 1.5986884036964129
Energy: 1.8635199025150564
Energy: 1.6379908490762163
Energy: 1.8635199025142077
Energy: 1.6084402107259632
Energy: 1.8232493936195275
Energy: 1.639873278579132
Energy: 1.8232493936203762
Energy: 1.609565686793479
Energy: 1.6867850937988254
Energy: 1.5736178414383788
Energy: 1.6867850937979767
Energy: 1.5866696351563716
Energy: 1.820588515001352
Energy: 1.637967556962697
Energy: 1.820588515001352
Energy: 1.6281009365486168
Energy: 1.8192205407706716
Energy: 1.7405218905575401
Energy: 1.819220540769823
Energy: 2.0447123852120623
Energy: 1.674579335935596
Energy: 1.6304301294192454
Energy: 1.6745793359330503
Energy: 1.586848637669146
Energy: 1.5811192879015241
Energy: 2.0704919784679867
Energy: 1.5811192879015241
Energy: 1.6099752864714207
Energy: 1.68757083834024
Energy: 1.594798907172825
Energy: 1.6875708383436343
Energy: 1.5862999074126491
Energy: 1.81955314154869
Energy: 1.5750040937595406
Energy: 1.819553141551236
Energy: 1.6297634744657135
Energy: 1.6891585453943365
Energy: 1.5960585491883854
Energy: 1.6891585453951852
Energy: 1.664466509195071
Energy: 1.6846015144073025
Energy: 1.6106739654120388
Energy: 1.6846015144073025
Energy: 1.6419470573263042
Energy: 1.5818700102801337
Energy: 1.7840537269554881
Energy: 1.5818700102758905
Energy: 1.5851166405055885
Energy: 1.63365439341457
Energy: 1.608755531000882
Energy: 1.6336543934179644
Energy: 1.6419505445666678
Energy: 1.5814020446722512
Energy: 2.016630244079965
Energy: 1.5814020446756458

minimum gb energy = 1.5726274881731732 eV
minimum distance =  2.23170619107777 Angstroms
sigma value = 29


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

Energy: 1.4820434502527495
Energy: 1.4745941853568099
Energy: 1.9442788370261754
Energy: 1.4745941853568099
Energy: 1.424454827203291
Energy: 1.4831887556334729
Energy: 1.4798543852115624
Energy: 1.4831887556331773
Energy: 1.5990095520631975
Energy: 1.5505804522735644
Energy: 1.7328816921560837
Energy: 1.5505804522729731
Energy: 1.4800334969647393
Energy: 1.424818630291658
Energy: 1.4801170124528489
Energy: 1.424818630291658
Energy: 1.4824341440354685
Energy: 1.5228933974931367
Energy: 1.7331388711908797
Energy: 1.5228933974934322
Energy: 1.4752408772080656
Energy: 1.5515231857564447
Energy: 1.4752697943991027
Energy: 1.5515231857567402
Energy: 1.4752946926438442
Energy: 1.5230335492174414
Energy: 1.4824240214413755
Energy: 1.5230335492177043
Energy: 1.4801722515435811
Energy: 1.4246843408612369
Energy: 1.47972624264632
Energy: 1.424684340861828
Energy: 1.7328509346701328
Energy: 1.5505708678239178
Energy: 1.7329000908851144
Energy: 1.5505708678242136

minimum gb energy = 1.424454827203291 eV
minimum distance =  2.29297337141991 Angstroms
sigma value = 5


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

Energy: 1.4894779437169146
Energy: 1.4945151897528406
Energy: 1.86951372536886
Energy: 1.4945151897528406
Energy: 1.7290751711078978
Energy: 1.5812884873807809
Energy: 1.5070684520789186
Energy: 1.5812884873807809
Energy: 1.461744200112187
Energy: 1.4881998342261946
Energy: 1.7641075039809897
Energy: 1.4881998342269962
Energy: 1.5098530929885179
Energy: 1.570405875146323
Energy: 1.4670770421294441
Energy: 1.570405875146323
Energy: 1.4869098710748925
Energy: 1.576563504092324
Energy: 1.7111231996310776
Energy: 1.5765635040899189
Energy: 1.5861290655515414
Energy: 1.49637182103535
Energy: 1.4608172017929615
Energy: 1.4963718210361519
Energy: 1.4632215020236543
Energy: 1.5739868815573874
Energy: 1.4511620702403296
Energy: 1.5739868815573874
Energy: 1.4572175631421704
Energy: 1.497020974178708
Energy: 1.4696254101967583
Energy: 1.497020974178708
Energy: 1.4625065116765443
Energy: 1.574872503539884
Energy: 1.4942797202377354
Energy: 1.574872503539884
Energy: 1.4623541851753683
Energy: 1.5747558464871052
Energy: 1.5099289022662241
Energy: 1.5747558464863036
Energy: 1.5165591214000769
Energy: 1.5714290396536272
Energy: 1.4643652870997037
Energy: 1.5714290396536272
Energy: 1.5118233757842061
Energy: 1.4799896071545857
Energy: 1.4944580737770325
Energy: 1.4799896071553875
Energy: 1.6594280140035111
Energy: 1.4961017299593389
Energy: 1.4933558403174791
Energy: 1.4961017299593389
Energy: 1.484695294144141
Energy: 1.495634687872841
Energy: 1.4797528321173745
Energy: 1.4956346878720392
Energy: 1.8304141549271027
Energy: 1.5689760234906682
Energy: 1.4644509325205861
Energy: 1.5689760234898666
Energy: 1.4649762387857095
Energy: 1.4882108143330237
Energy: 1.842576330015024
Energy: 1.4882108143330237
Energy: 1.7114557650147455
Energy: 1.4812315722832583
Energy: 1.4880378566093255
Energy: 1.4812315722832583
Energy: 1.469940001128727
Energy: 1.4953165351681508
Energy: 1.9904844378505782
Energy: 1.495316535165746
Energy: 1.5467298809903935
Energy: 1.5768625361386244
Energy: 1.4575944605288012
Energy: 1.5768625361386244
Energy: 1.482290129807155
Energy: 1.5911259069521353
Energy: 1.4735447727063673
Energy: 1.591125906952937
Energy: 1.4785569446359277
Energy: 1.5683253547207843
Energy: 1.462584713472194
Energy: 1.5683253547223874
Energy: 1.5157302339046004
Energy: 1.5747586375459643
Energy: 1.4633975787486577
Energy: 1.5747586375459643
Energy: 1.5011695821253814
Energy: 1.4962760931808574
Energy: 1.5147443387980517
Energy: 1.4962760931824608
Energy: 1.4938892714077576
Energy: 1.5057853895616513
Energy: 1.5083339048364393
Energy: 1.505785389560048
Energy: 1.4935955716982519
Energy: 1.4885254251947784
Energy: 1.4689435356115463
Energy: 1.4885254251939768
Energy: 1.5218139991443185
Energy: 1.4947753080821615
Energy: 1.4894298224909843
Energy: 1.4947753080797566
Energy: 1.4670322561214402
Energy: 1.4537216866798666
Energy: 1.5569110950814316
Energy: 1.45372168668147
Energy: 1.867467490441793
Energy: 1.5815955487214208
Energy: 1.4646928045695933
Energy: 1.5815955487230242
Energy: 1.476561369828598
Energy: 1.4692904128640247
Energy: 1.768850885088371
Energy: 1.4692904128632231
Energy: 1.9988936059179574
Energy: 1.639632906047299
Energy: 1.4698133453599305
Energy: 1.6396329060481005
Energy: 1.4590003839198802
Energy: 1.4735497011511838
Energy: 1.741332184800763
Energy: 1.473549701150382
Energy: 1.7127092546463862
Energy: 1.5743846768246836
Energy: 1.4772231245083465
Energy: 1.5743846768254854
Energy: 1.4679197913341686
Energy: 1.8054117554926035
Energy: 1.510385830073782
Energy: 1.8054117554918017

minimum gb energy = 1.4511620702403296 eV
minimum distance =  2.21791206177108 Angstroms
sigma value = 1


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

Energy: 1.5978566412962105
Energy: 1.5989256185575844
Energy: 1.9658199950147832
Energy: 1.5989256185564757
Energy: 1.568316685915352
Energy: 1.5434779359149744
Energy: 1.4322221545766387
Energy: 1.543477935916083
Energy: 1.4161870605677649
Energy: 1.441399231227175
Energy: 1.6915436945237088
Energy: 1.4413992312282833
Energy: 1.4557065036263939
Energy: 1.547504216569163
Energy: 1.4317412379793697
Energy: 1.5475042165702713
Energy: 1.4272703687495203
Energy: 1.4414254568429763
Energy: 1.765444589366423
Energy: 1.4414254568429763
Energy: 1.4035018627449272
Energy: 1.4451094911863382
Energy: 1.432010068920027
Energy: 1.4451094911863382
Energy: 1.4159343025307116
Energy: 1.5931385395568334
Energy: 1.4347519291142725
Energy: 1.5931385395568334
Energy: 1.4129289294161838
Energy: 1.4449446010083504
Energy: 1.4294235844955738
Energy: 1.4449446010094587
Energy: 1.4408819457593363
Energy: 1.4516631416177528
Energy: 1.4587545079971003
Energy: 1.4516631416166443
Energy: 1.4411518831918255
Energy: 1.452677290628053
Energy: 1.4843775908496029
Energy: 1.4526772906269445
Energy: 1.4134316296762333
Energy: 1.4450776385811293
Energy: 1.4589484576112983
Energy: 1.445077638582238
Energy: 1.4166861179347254
Energy: 1.576847967568143
Energy: 1.6403646140169226
Energy: 1.576847967568143
Energy: 1.4047313214308428
Energy: 1.4446594365983818
Energy: 1.4338010677928852
Energy: 1.44465943659949
Energy: 1.4289855212759048
Energy: 1.448599330782286
Energy: 1.4418510204446982
Energy: 1.448599330782286
Energy: 1.5873694615483853
Energy: 1.543679081503108
Energy: 1.4341237467768213
Energy: 1.5436790815019998
Energy: 1.4159586281905294
Energy: 1.4418836222025826
Energy: 1.810726346418397
Energy: 1.4418836222025826
Energy: 2.0252214992623623
Energy: 1.4717779982583636
Energy: 1.4289819066566025
Energy: 1.4717779982594723
Energy: 1.5978566412962105
Energy: 1.5989256185575844
Energy: 1.9659920491053333
Energy: 1.5989256185564757
Energy: 1.5683166859164603
Energy: 1.5434779359205166
Energy: 1.43222215457553
Energy: 1.5434779359205166
Energy: 1.416187060568873
Energy: 1.4413992312260666
Energy: 1.6915436945237088
Energy: 1.4413992312282833
Energy: 1.4557065036263939
Energy: 1.547504216569163
Energy: 1.4317412379793697
Energy: 1.547504216569163
Energy: 1.4272703687495203
Energy: 1.4414254568429763
Energy: 1.765444589366423
Energy: 1.4414254568440847
Energy: 1.4035018627449272
Energy: 1.445109491187447
Energy: 1.4320100689189186
Energy: 1.445109491187447
Energy: 1.41593430253182
Energy: 1.5931385395557252
Energy: 1.4347519291142725
Energy: 1.5931385395557252

minimum gb energy = 1.4035018627449272 eV
minimum distance =  2.23948089441012 Angstroms
sigma value = 17


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

Energy: 1.4340082145244355
Energy: 1.434848690989425
Energy: 1.8327508364346528
Energy: 1.4348486909921654
Energy: 1.63156590538961
Energy: 1.4231128126053758
Energy: 1.4073713131323957
Energy: 1.4231128126053758
Energy: 1.4040552102457389
Energy: 1.4195379336314553
Energy: 1.7569485482353941
Energy: 1.4195379336314553
Energy: 1.5698025990864546
Energy: 1.696447902483639
Energy: 1.4016952793545894
Energy: 1.6964479024843242
Energy: 1.4052115683789543
Energy: 1.434824826501403
Energy: 1.8095635394674356
Energy: 1.434824826500718
Energy: 1.444029320883605
Energy: 1.910651405909438
Energy: 1.4169853500456528
Energy: 1.9106514059101232
Energy: 1.4343836562695371
Energy: 1.5046911172521154
Energy: 1.4192578162989486
Energy: 1.5046911172528006
Energy: 1.4300713056254082
Energy: 1.7154415748576866
Energy: 1.4014317202897888
Energy: 1.7154415748576866
Energy: 1.4349503433352297
Energy: 1.7155765389875963
Energy: 1.4811953831902658
Energy: 1.7155765389875963
Energy: 1.420040815763041
Energy: 1.7146439027407538
Energy: 1.4165142184436024
Energy: 1.7146439027400686
Energy: 1.3959871474151637
Energy: 1.6919077676556529
Energy: 1.4112899525077074
Energy: 1.6919077676563383
Energy: 1.3947252043722642
Energy: 1.499776444778434
Energy: 1.3939390252058494
Energy: 1.499776444778434
Energy: 1.4381483563062698
Energy: 1.7072963543229867
Energy: 1.4057081517305308
Energy: 1.7072963543236717
Energy: 1.435120959554354
Energy: 1.5237926220728082
Energy: 1.433059792921482
Energy: 1.523792622072123
Energy: 1.4270019358384094
Energy: 1.69955478479874
Energy: 1.4466070947537382
Energy: 1.69955478479874
Energy: 1.4108791896084145
Energy: 1.420631838832298
Energy: 1.777334852476555
Energy: 1.420631838832298
Energy: 1.4698298787199584
Energy: 1.700792674547615
Energy: 1.4056796007122645
Energy: 1.700792674547615
Energy: 1.3955811650903456
Energy: 1.5657053067924946
Energy: 1.7038632654603167
Energy: 1.5657053067938649
Energy: 1.6303879102480094
Energy: 1.6959876418063478
Energy: 1.4068922119942473
Energy: 1.6959876418042925
Energy: 1.410834893328944
Energy: 1.419736542912314
Energy: 1.5739274977497144
Energy: 1.419736542912999
Energy: 1.5067484669973836
Energy: 1.4130802245212728
Energy: 1.431618627107671
Energy: 1.4130802245205878
Energy: 1.4321459112483752
Energy: 1.5668589793940089
Energy: 1.5092675500014858
Energy: 1.5668589793926386
Energy: 1.634201594285961
Energy: 1.707826614597407
Energy: 1.4132018128745703
Energy: 1.7078266145967222
Energy: 1.4074115739345856
Energy: 1.4132337306070861
Energy: 1.6317823137997065
Energy: 1.4132337305748868
Energy: 1.4994952406238464
Energy: 1.5652287997654184
Energy: 1.3980538605922292
Energy: 1.5652287997654184
Energy: 1.4088251526311244
Energy: 1.5256896067481138
Energy: 1.4722938192493757
Energy: 1.5256896067467436
Energy: 1.6218470740518096
Energy: 1.4892297387001665
Energy: 1.4136420477528322
Energy: 1.4892297387015365
Energy: 1.4460994381667553
Energy: 1.6991896597291616
Energy: 1.4269104323980133
Energy: 1.6991896597284766
Energy: 1.4330940972708104
Energy: 1.5230348027144112
Energy: 1.429120335095233
Energy: 1.5230348027157812
Energy: 1.4056206398158628
Energy: 1.7053413967003357
Energy: 1.4935952525213037
Energy: 1.7053413967003357
Energy: 1.3936475877967682
Energy: 1.5228212386734323
Energy: 1.3949533395778657
Energy: 1.5228212386734323
Energy: 1.4091644697933414
Energy: 1.695121714280228
Energy: 1.4050711948306258
Energy: 1.6951217142809132
Energy: 1.4137708577640484
Energy: 1.4959407841922872
Energy: 1.6322154312695718
Energy: 1.495940784190232
Energy: 1.4848727596087479
Energy: 1.7202875712920946
Energy: 1.420044522842328
Energy: 1.7202875712907246
Energy: 1.3990896447793664
Energy: 1.4357718913869926
Energy: 1.4702916826246784
Energy: 1.4357718913856223
Energy: 1.4190675901721448
Energy: 1.507484990901881
Energy: 1.432442457044791
Energy: 1.507484990900511
Energy: 1.413151614859988
Energy: 1.9083914637752768
Energy: 1.4295704358889743
Energy: 1.908391463775962
Energy: 1.8065065771596172
Energy: 1.5262881360966785
Energy: 1.410933081986058
Energy: 1.5262881360953084

minimum gb energy = 1.3936475877967682 eV
minimum distance =  2.23562036174801 Angstroms
sigma value = 89


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

Energy: 1.2778413672158728
Energy: 1.2779924731776982
Energy: 2.0783642782014695
Energy: 1.2779924731776982
Energy: 1.2783234024470906
Energy: 1.3159054755394575
Energy: 1.3008933415178245
Energy: 1.3159054755394575
Energy: 1.2971822313017736
Energy: 1.376375417680386
Energy: 2.2069604071918656
Energy: 1.376375417680386
Energy: 1.3217314131873323
Energy: 1.3162969044856043
Energy: 1.3004981870845524
Energy: 1.3162969044856043
Energy: 1.2967091150590033
Energy: 1.4101476497333825
Energy: 2.1242781096659358
Energy: 1.4101476497333825
Energy: 1.2968112494105188
Energy: 1.278771956630814
Energy: 1.2774760438318444
Energy: 1.2787719566290217
Energy: 1.2974143502762272
Energy: 1.5096296515071892
Energy: 1.277941425584115
Energy: 1.5096296515071892
Energy: 1.3187056097013454
Energy: 1.5090186242619081
Energy: 1.3010852833839786
Energy: 1.5090186242619081
Energy: 1.296805295113383
Energy: 1.409843304989907
Energy: 1.28362379692014
Energy: 1.409843304989907
Energy: 1.3153886164567334
Energy: 1.2789531703728019
Energy: 1.2966664331229287
Energy: 1.278953170376387
Energy: 1.2776308279835586
Energy: 1.3167800721407668
Energy: 1.2966596967205504
Energy: 1.3167800721407668
Energy: 1.2777503383556588
Energy: 1.5105575841581147
Energy: 1.3006842409775328
Energy: 1.5105575841581147
Energy: 1.2966766226713327
Energy: 1.2800926382173303
Energy: 1.3155977932291212
Energy: 1.2800926382173303
Energy: 1.2968691205937282
Energy: 1.408975397762501
Energy: 1.296850762976416
Energy: 1.408975397762501
Energy: 1.2835731324452446
Energy: 1.2800617591452608
Energy: 1.2966764635501014
Energy: 1.2800617591452608

minimum gb energy = 1.2774760438318444 eV
minimum distance =  2.25569805350647 Angstroms
sigma value = 13


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

Energy: 1.284750650999054
Energy: 1.2515341763347965
Energy: 1.7275365940735294
Energy: 1.2515341763362988
Energy: 1.4916296340538338
Energy: 1.645724814882581
Energy: 1.244447265193093
Energy: 1.6457248148810784
Energy: 1.2528959628202572
Energy: 1.4372006984147805
Energy: 1.9304874408507493
Energy: 1.4372006980159615
Energy: 1.2456487739134428
Energy: 1.4667612349412174
Energy: 1.242365264144531
Energy: 1.4667612349397148
Energy: 1.2595381463911017
Energy: 1.5286489828162768
Energy: 1.333141193914779
Energy: 1.5286489828140228
Energy: 1.2435975129025012
Energy: 1.2845554967619297
Energy: 1.2586872204791142
Energy: 1.2845554967596757
Energy: 1.2596280217927371
Energy: 1.4508818176835638
Energy: 1.6174932223696326
Energy: 1.4508818176873206
Energy: 1.2482995093205955
Energy: 1.4680732897992035
Energy: 1.2588252595728404
Energy: 1.4680732897977011
Energy: 1.260914883005494
Energy: 1.3489886434729825
Energy: 1.4745511374717721
Energy: 1.3489886434692258
Energy: 1.4801573917361475
Energy: 1.5490860022471888
Energy: 1.242426591730292
Energy: 1.549086002243432
Energy: 1.2604104334693722
Energy: 1.3708659776800796
Energy: 1.2437446524086417
Energy: 1.3708659776830847
Energy: 1.6122080298170276
Energy: 1.5487864235540718
Energy: 1.2504727173212158
Energy: 1.548786423550315
Energy: 1.293874655801653
Energy: 1.2663841119061792
Energy: 1.2583917423058832
Energy: 1.266384111907682
Energy: 1.624676369018475
Energy: 1.3707876132542842
Energy: 1.2504735634126751
Energy: 1.3707876132557866
Energy: 1.2604129434800857
Energy: 1.2492124942561122
Energy: 1.2529601808328565
Energy: 1.2492124942516043
Energy: 1.2412294470554224
Energy: 1.3707888147628613
Energy: 1.2394600523497932
Energy: 1.3707888147658667
Energy: 1.256845046240522
Energy: 1.3364863350053737
Energy: 1.2389024616021684
Energy: 1.3364863350076275
Energy: 1.2800743025212253
Energy: 1.3455820449456184
Energy: 1.254213447082499
Energy: 1.3455820449463698
Energy: 1.257186881960661
Energy: 1.2678836881228521
Energy: 1.2543742259522292
Energy: 1.2678836881228521
Energy: 1.2567940066074712
Energy: 1.2679927307137855
Energy: 1.2543526113019203
Energy: 1.2679927307115317
Energy: 1.2804988548320944
Energy: 1.345474712504454
Energy: 1.2544243232583923
Energy: 1.3454747125022002
Energy: 1.2567051848330324
Energy: 1.3364898769666493
Energy: 1.238944679797481
Energy: 1.336489876970406
Energy: 1.2410761571968902
Energy: 1.3705941177432341
Energy: 1.2393027542142465
Energy: 1.370594117742483
Energy: 1.2603754654546566
Energy: 1.2492148008253485
Energy: 1.2553174292805982
Energy: 1.2492148008245971
Energy: 1.6249981740484232
Energy: 1.599470002076808
Energy: 1.2513563091718296
Energy: 1.5994700020783108
Energy: 1.2944679107231518
Energy: 1.26648869774041
Energy: 1.2561359314586384
Energy: 1.2664886977366532
Energy: 1.6118542199496866
Energy: 1.5489267676925211
Energy: 1.250966162280795
Energy: 1.5489267676917695
Energy: 1.2597599161524347
Energy: 1.3707545613907948
Energy: 1.2428255980154088
Energy: 1.370754561396054
Energy: 1.480090770479424
Energy: 1.5485756921526808
Energy: 1.2421008545471395
Energy: 1.5485756921541831
Energy: 1.2599260999792978
Energy: 1.3489032177745817
Energy: 1.6936275550321425
Energy: 1.3489032177715763
Energy: 1.2477997679396524
Energy: 1.4669566729468322
Energy: 1.258791327461219
Energy: 1.4669566729498376
Energy: 1.2598466848588072
Energy: 1.4508362357536775
Energy: 1.8019668087905072
Energy: 1.4508362357529259
Energy: 1.2439874350155704
Energy: 1.2822997622813792
Energy: 1.2587749637323289
Energy: 1.2822997622813792
Energy: 1.259882404377967
Energy: 1.5285906075348923
Energy: 1.3195900981941797
Energy: 1.5285906075386488
Energy: 1.2459755808687398
Energy: 1.468682709950556
Energy: 1.2423675091593012
Energy: 1.4686827099475508

minimum gb energy = 1.2389024616021684 eV
minimum distance =  2.23465164706135 Angstroms
sigma value = 37


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

Energy: 1.3588589986546018
Energy: 1.358557297714596
Energy: 1.1878507979164576
Energy: 1.3585572977133034
Energy: 1.4487269707903012
Energy: 1.593029551634863
Energy: 1.1597324521272012
Energy: 1.593029551634863
Energy: 1.1804693059137858
Energy: 1.6296236856591768
Energy: 1.5698224139306811
Energy: 1.6296236856591768
Energy: 1.3014131264540303
Energy: 1.3450380784459746
Energy: 1.1604063176593513
Energy: 1.3450380784459746
Energy: 1.1592374949745252
Energy: 1.1847555079749954
Energy: 1.301219357489523
Energy: 1.1847555079749954
Energy: 1.1974727113006598
Energy: 1.753184286460423
Energy: 1.3044834154745435
Energy: 1.7531842864617158
Energy: 1.1751879381487726
Energy: 1.933872224454768
Energy: 1.6350530097774898
Energy: 1.933872224454768
Energy: 1.1428458548621352
Energy: 1.1858019044024253
Energy: 1.1900198920047116
Energy: 1.1858019044024253
Energy: 1.1605819590486477
Energy: 1.5924437336088366
Energy: 1.4666792388816432
Energy: 1.5924437336088366
Energy: 1.5691749556752637
Energy: 1.6304608218533485
Energy: 1.3033806972408482
Energy: 1.6304608218533485
Energy: 1.158440628994114
Energy: 1.8350407052429574
Energy: 1.3012244450009094
Energy: 1.8350407052429574
Energy: 1.5446027818082586
Energy: 1.1852885087248581
Energy: 1.1603358725720179
Energy: 1.1852885087248581
Energy: 1.3007334329250044
Energy: 1.5925296010464793
Energy: 1.3651643909864628
Energy: 1.592529601047772
Energy: 1.637146240255639
Energy: 1.9351351218019612
Energy: 1.142680745477065
Energy: 1.9351351218019612
Energy: 1.3577307909580625
Energy: 1.392895052863762
Energy: 1.1427507643823276
Energy: 1.3928950528650548
Energy: 1.3581784679638635
Energy: 1.5931202046682817
Energy: 1.159663838162553
Energy: 1.5931202046682817
Energy: 1.3006281257147454
Energy: 1.3301542281787586
Energy: 1.1607181564955154
Energy: 1.330154228177466
Energy: 1.300766803823575
Energy: 1.8360456096035065
Energy: 1.158389090001818
Energy: 1.8360456096035065
Energy: 1.1584170993521525
Energy: 1.1866657181872773
Energy: 1.1585298784810243
Energy: 1.1866657181872773
Energy: 1.158707457181397
Energy: 1.5929808451219407
Energy: 1.3007807305720247
Energy: 1.5929808451219407

minimum gb energy = 1.142680745477065 eV
minimum distance =  2.22956801227802 Angstroms
sigma value = 25


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

Energy: 1.2346444379876744
Energy: 1.7571111650825941
Energy: 1.0533878133117194
Energy: 1.7571111650825941
Energy: 1.4833011050535634
Energy: 1.2984219760749645
Energy: 1.0474653580144337
Energy: 1.2984219760729458
Energy: 1.170436354105303
Energy: 1.1708672629812182
Energy: 1.3571563202979562
Energy: 1.1708672629822274
Energy: 1.2518534553835519
Energy: 1.4402817813514053
Energy: 1.055621325892017
Energy: 1.4402817813514053
Energy: 1.0642215275669298
Energy: 1.298742545106418
Energy: 1.1372227912003914
Energy: 1.298742545107428
Energy: 1.145185973269143
Energy: 1.2942750382710881
Energy: 1.0655812500899662
Energy: 1.2942750382710881
Energy: 1.0504247603316839
Energy: 1.0440468021657558
Energy: 1.2526376917545408
Energy: 1.044046802168784
Energy: 1.0368334438677382
Energy: 1.4485400349643895
Energy: 1.1727327242001835
Energy: 1.4485400349633804
Energy: 1.0503737453938227
Energy: 1.2987620471673609
Energy: 1.6287383520684138
Energy: 1.2987620471683703
Energy: 1.0237690467050076
Energy: 1.280762700538653
Energy: 1.1053383391907767
Energy: 1.280762700540672
Energy: 1.050310097274977
Energy: 1.044200456504655
Energy: 1.5333547624190755
Energy: 1.0442004565066736
Energy: 1.3585095947533883
Energy: 1.5998936165855544
Energy: 1.1729012985904004
Energy: 1.5998936165845452
Energy: 1.057910424652222
Energy: 1.2101050690225614
Energy: 1.4067213138089527
Energy: 1.2101050690225614
Energy: 1.3475315930188256
Energy: 1.3913736669015142
Energy: 1.0659515560879462
Energy: 1.3913736669015142
Energy: 1.0647239972635902
Energy: 1.0412557489901562
Energy: 1.144024031261019
Energy: 1.0412557489881373
Energy: 1.4426816969259149
Energy: 1.707471869688422
Energy: 1.0491630925637045
Energy: 1.707471869689431
Energy: 1.1756180635340567
Energy: 1.4482773546470158
Energy: 1.0253708358570592
Energy: 1.4482773546480252
Energy: 1.4279800665518358
Energy: 1.1886221214542232
Energy: 1.0477041363749833
Energy: 1.188622121453214
Energy: 1.2337459109094195
Energy: 1.0618024332373837
Energy: 1.0240927048930868
Energy: 1.0618024332404117
Energy: 1.6748682342561771
Energy: 1.7066289266645551
Energy: 1.048973470106193
Energy: 1.7066289266625363
Energy: 1.1755847686601502
Energy: 1.7059250114540103
Energy: 1.03758392310367
Energy: 1.7059250114560292
Energy: 1.1703487821570226
Energy: 1.4406157776285262
Energy: 1.059474562720429
Energy: 1.4406157776295356
Energy: 1.0645515734341358
Energy: 1.4252797134388862
Energy: 1.3493725018535712
Energy: 1.4252797134398953
Energy: 1.1438327118490854
Energy: 1.7698896253546639
Energy: 1.064610439096384
Energy: 1.7698896253546639
Energy: 1.0478691163680902
Energy: 1.7068815589317794
Energy: 1.4426892502905784
Energy: 1.706881558932789
Energy: 1.0310563194278035
Energy: 1.330464675593146
Energy: 1.1701773215694469
Energy: 1.330464675593146

minimum gb energy = 1.0237690467050076 eV
minimum distance =  2.24034480951175 Angstroms
sigma value = 41


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

Energy: 1.349911051849583
Energy: 1.3508375015344474
Energy: 0.9571271892845717
Energy: 1.3508375015327925
Energy: 1.4173717518182711
Energy: 1.1453824041247473
Energy: 0.944609883061424
Energy: 1.1453824041247473
Energy: 0.9723994060220135
Energy: 0.9421801199027244
Energy: 1.7185362690768156
Energy: 0.942180119903552
Energy: 1.2140200901592273
Energy: 1.339567692360021
Energy: 0.9443263403246628
Energy: 1.3395676923608486
Energy: 0.9379922775264198
Energy: 1.3708081057491956
Energy: 1.0175647511032535
Energy: 1.3708081057483683
Energy: 1.010652286635393
Energy: 1.1445098461467476
Energy: 0.9444686776529911
Energy: 1.1445098461459198
Energy: 0.9430748959513874
Energy: 1.1451142648533903
Energy: 1.0108875892486173
Energy: 1.145114264852563
Energy: 0.9268817283918875
Energy: 1.1644824278115753
Energy: 0.9393847443940417
Energy: 1.16448242780992
Energy: 0.9480033201304864
Energy: 1.523233920399832
Energy: 1.3156815372259538
Energy: 1.5232339204006597
Energy: 0.9292596170925133
Energy: 1.1360845298338569
Energy: 0.9737109332059634
Energy: 1.1360845298338569
Energy: 0.9432793900017761
Energy: 1.147807181437638
Energy: 1.5406974046583788
Energy: 1.147807181543561
Energy: 0.9309098622277755
Energy: 1.3512671218350962
Energy: 1.3509354963472078
Energy: 1.351267121835924
Energy: 0.948076612871779
Energy: 1.5238309068220757
Energy: 1.6624514212680173
Energy: 1.523830906821248
Energy: 1.2037285244012745
Energy: 1.35607750318246
Energy: 0.9735193695966771
Energy: 1.3560775031832877
Energy: 0.943336931072141
Energy: 1.1478522871109802
Energy: 1.3451108255936053
Energy: 1.1478522871126353
Energy: 1.1951024921765585
Energy: 1.387310782150039
Energy: 0.9394517191937701
Energy: 1.387310782155004
Energy: 0.9478665345453242
Energy: 1.523652009509679
Energy: 1.2481003382641356
Energy: 1.5236520095105068
Energy: 1.1887802766884534
Energy: 1.3563597943189019
Energy: 0.9444928617721841
Energy: 1.3563597943180745
Energy: 0.9434988656620383
Energy: 1.1627938060931844
Energy: 0.9263414195083204
Energy: 1.1627938060948393
Energy: 1.1793311100097346
Energy: 1.356049277832801
Energy: 0.9480318925425577
Energy: 1.356049277831146
Energy: 0.9773785562765298
Energy: 1.5243176761746116
Energy: 0.9302814356071388
Energy: 1.5243176761746116
Energy: 1.5407529064031944
Energy: 1.6858613638158644
Energy: 0.9446448361243722
Energy: 1.685861363815037
Energy: 1.3550631814092025
Energy: 1.3526972470199674
Energy: 0.9308808883932443
Energy: 1.3526972470199674
Energy: 1.350259798830143
Energy: 1.523696355811094
Energy: 0.9482217663248622
Energy: 1.5236963558102667
Energy: 0.9773248190245264
Energy: 1.336028449693416
Energy: 0.9354044282310953
Energy: 1.3360284496942434
Energy: 1.3325043125329665
Energy: 1.6785146172524734
Energy: 0.9444654592869791
Energy: 1.678514617251646
Energy: 0.9432446090047524
Energy: 1.5275633766014123
Energy: 1.195027626830285
Energy: 1.5275633766005847
Energy: 0.9384673681234077
Energy: 1.5242266850220259
Energy: 0.9481174950449844
Energy: 1.5242266850220259
Energy: 0.9483488960865508
Energy: 1.336510189347768
Energy: 1.1889833338579434
Energy: 1.336510189346113
Energy: 0.9259537198237432
Energy: 1.5672033528277862
Energy: 0.9494093419663379
Energy: 1.567203352828614
Energy: 0.943742280153091
Energy: 1.3572392862847515
Energy: 1.1792180504049963
Energy: 1.3572392862839242
Energy: 0.9308188695399826
Energy: 1.5251776036351485
Energy: 0.982984596361186
Energy: 1.525177603635976

minimum gb energy = 0.9259537198237432 eV
minimum distance =  2.2330866876737 Angstroms
sigma value = 15


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

Energy: 1.2271345331261716
Energy: 1.5083396614287394
Energy: 1.6981841959082062
Energy: 1.5083396614287394
Energy: 1.5610415879815558
Energy: 1.3635954056217228
Energy: 0.8840403091476856
Energy: 1.3635954056210216
Energy: 0.9136841011168286
Energy: 1.2061264640964158
Energy: 1.6166912617374343
Energy: 1.2061264640964158
Energy: 1.374887991806129
Energy: 1.368905474331401
Energy: 0.8838757950373388
Energy: 1.368905474332803
Energy: 0.8798054031550987
Energy: 1.515404503044743
Energy: 0.8607581214951281
Energy: 1.515404503044743
Energy: 1.0936526576603411
Energy: 1.3649017607508054
Energy: 0.8840175468982638
Energy: 1.3649017607501042
Energy: 0.8830481970455655
Energy: 1.216325521091986
Energy: 0.9226178032518685
Energy: 1.216325521091285
Energy: 0.9227459363360792
Energy: 1.218655955419074
Energy: 0.8839720646967735
Energy: 1.218655955419074
Energy: 0.8864101688332346
Energy: 1.5253572653948353
Energy: 1.0929220341948143
Energy: 1.5253572653948353
Energy: 0.8535167937610115
Energy: 1.3661754457649125
Energy: 0.8808249560761904
Energy: 1.3661754457663144
Energy: 0.8832141757136417
Energy: 1.3631478961071632
Energy: 1.5277074905350807
Energy: 1.3631478961071632
Energy: 0.8569027958173
Energy: 1.2063261315626397
Energy: 0.914622082830322
Energy: 1.2063261314602893
Energy: 0.886278670395481
Energy: 1.5195617887119977
Energy: 1.532761564611277
Energy: 1.5195617887112967
Energy: 0.856896556214274
Energy: 1.50892031681636
Energy: 1.2275607390195435
Energy: 1.50892031681636
Energy: 0.8831521132328818
Energy: 1.363350136724834
Energy: 1.555970343772846
Energy: 1.3633501367255352
Energy: 1.0858764450334515
Energy: 1.2056368057567235
Energy: 0.9145385322973797
Energy: 1.2056368057567235
Energy: 0.8863329503340637
Energy: 1.519395454130512
Energy: 1.4760298485619006
Energy: 1.519395454131213
Energy: 1.0817396795962038
Energy: 1.5142894723279063
Energy: 0.8807645076253653
Energy: 1.5142894723279063
Energy: 0.8832959802126222
Energy: 1.3651377325299374
Energy: 1.203650690983345
Energy: 1.3651377325299374
Energy: 1.077465180332763
Energy: 1.050048462227737
Energy: 0.8839230889040874
Energy: 1.050048462227737
Energy: 0.8865393822778552
Energy: 1.3924324346026826
Energy: 1.122637217171762
Energy: 1.3924324346026826
Energy: 1.079923062323923
Energy: 1.378466820335536
Energy: 0.8902759921829557
Energy: 1.3784668203362367
Energy: 0.8832880387421225
Energy: 1.0458650438503294
Energy: 0.8537905015751537
Energy: 1.0458650438419808
Energy: 1.4103653878520883
Energy: 1.0474742160294424
Energy: 0.884075808149446
Energy: 1.0474742160280404
Energy: 0.916920676175251
Energy: 1.392379552687926
Energy: 0.857745619914012
Energy: 1.392379552687926
Energy: 1.3946777833113693
Energy: 1.5226434274384464
Energy: 0.8902692562974317
Energy: 1.5226434274377454
Energy: 1.2301143466009747
Energy: 1.5061269627091851
Energy: 0.8572460679541859
Energy: 1.5061269627084841
Energy: 1.551013192616897
Energy: 1.3635680652898499
Energy: 0.8840688537409278
Energy: 1.3635680652898499
Energy: 0.9168750964611918
Energy: 1.5472499947115652
Energy: 0.8631408062329793
Energy: 1.547249994710864
Energy: 1.2035909599613905
Energy: 1.5230039947656948
Energy: 0.8902437856537817
Energy: 1.5230039947649934
Energy: 0.8832213960249679
Energy: 1.508723051758372
Energy: 1.0815286162424893
Energy: 1.5087230517590733
Energy: 1.1928034206598632
Energy: 1.3668471721934417
Energy: 0.8840791212231732
Energy: 1.3668471721955449
Energy: 0.8863489414687019
Energy: 1.539352203746325
Energy: 1.0770974475645616
Energy: 1.5393522037477274
Energy: 0.8603927858471727
Energy: 1.3936936921024539
Energy: 0.8901637930737044
Energy: 1.3936936921031549
Energy: 0.876950550548548
Energy: 1.5081245232454041
Energy: 1.0793790985171012
Energy: 1.5081245232454041
Energy: 0.8532201625351364
Energy: 1.045460356121206
Energy: 0.887209993388587
Energy: 1.0454603561268143
Energy: 0.8866000574942469
Energy: 1.5393421694257716
Energy: 1.4098999332463225
Energy: 1.5393421694264726

minimum gb energy = 0.8532201625351364 eV
minimum distance =  2.26799718276888 Angstroms
sigma value = 85


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

Energy: 1.1563707600379711
Energy: 1.4114191860228487
Energy: 1.0683903631645
Energy: 1.4114191860228487
Energy: 1.6641348138318413
Energy: 1.2690344505714737
Energy: 0.8112172202841685
Energy: 1.2690344505720816
Energy: 1.1092047594830727
Energy: 1.1104798537443459
Energy: 1.068259396999447
Energy: 1.1104798537443459
Energy: 1.3834772067051455
Energy: 0.9799024412100265
Energy: 0.810861416307356
Energy: 0.9799024412106345
Energy: 0.8502555144879151
Energy: 1.0777958703757056
Energy: 0.7752506109107067
Energy: 1.0777958703757056
Energy: 1.2300416573277506
Energy: 0.9840318973174839
Energy: 0.8108884196960976
Energy: 0.9840318973132277
Energy: 0.8069450223114427
Energy: 1.1317333126651938
Energy: 0.8909547160568874
Energy: 1.131733312664586
Energy: 1.0723777755434096
Energy: 1.2688125710292417
Energy: 0.8109404669841499
Energy: 1.2688125710292417
Energy: 0.8101240336326054
Energy: 1.0922279191050555
Energy: 1.0378899137340998
Energy: 1.0922279191044473
Energy: 0.9282903091899547
Energy: 1.1317184355613068
Energy: 0.807841422420119
Energy: 1.1317184355619148
Energy: 0.8105961529189522
Energy: 0.9836913352872169
Energy: 1.1843554767486781
Energy: 0.9836913352872169
Energy: 0.7715679242813752
Energy: 0.9805948732120673
Energy: 0.8511564968129515
Energy: 0.9805948732132834
Energy: 0.8104948274223887
Energy: 1.0926096338223323
Energy: 1.397918757338346
Energy: 1.0926096338229405
Energy: 0.77424693433538
Energy: 1.1100634432220013
Energy: 1.1102722598345298
Energy: 1.1100634432213934
Energy: 0.810588666913932
Energy: 1.2686892934086638
Energy: 1.520717142887534
Energy: 1.2686892934086638
Energy: 0.7734750469773423
Energy: 1.4118437158933006
Energy: 1.1572104442863007
Energy: 1.4118437158926926
Energy: 0.810252603158612
Energy: 1.0927138192899137
Energy: 1.5214009594458875
Energy: 1.0927138192905217
Energy: 0.9776579388490511
Energy: 1.11008739141555
Energy: 1.1102603203323815
Energy: 1.11008739141555
Energy: 0.8106186234727355
Energy: 1.2685329475732026
Energy: 1.3831433595659517
Energy: 1.2685329475732026
Energy: 0.9683023560035372
Energy: 1.436515340323114
Energy: 0.8509773507451115
Energy: 1.436515340323114
Energy: 0.8102025633429834
Energy: 1.093883460769557
Energy: 1.229731738667197
Energy: 1.093883460769557
Energy: 0.9664208045405612
Energy: 1.1359261508253191
Energy: 0.8078781778521172
Energy: 1.1359261508253191
Energy: 0.8104227325575205
Energy: 1.2688818576983427
Energy: 1.0729938242220942
Energy: 1.2688818576977348
Energy: 0.9722453013001449
Energy: 1.0054100041977854
Energy: 0.8109231554037329
Energy: 1.005410003243634
Energy: 0.8103525030349955
Energy: 0.9798821531766517
Energy: 0.925831263030244
Energy: 0.9798821531760438
Energy: 1.26245904611173
Energy: 1.1103211847424217
Energy: 0.8118662707864623
Energy: 1.1103211847424217
Energy: 0.8532882674677187
Energy: 0.9802612638560125
Energy: 0.7712403606728845
Energy: 0.9802612638560125
Energy: 1.2572823224428862
Energy: 1.432569987224124
Energy: 0.8102558535111267
Energy: 1.432569987224124
Energy: 1.1125236701817727
Energy: 1.110502645162743
Energy: 0.7745755261395212
Energy: 1.1105026451621351
Energy: 1.5212280564823046
Energy: 1.2683948259155469
Energy: 0.8119152907901214
Energy: 1.2683948259155469
Energy: 1.1594093224778335
Energy: 1.4129025901031338
Energy: 0.7738920524899245
Energy: 1.4129025901025254
Energy: 1.4064251524219342
Energy: 1.4324908361934356
Energy: 0.811086883367933
Energy: 1.4324908361922197
Energy: 1.1127778800862285
Energy: 1.1102238692942028
Energy: 0.7842999305343878
Energy: 1.110223869294811
Energy: 1.3836325838402797
Energy: 1.2684772710245562
Energy: 0.8100647262196167
Energy: 1.2684772710245562
Energy: 0.8536267765239147
Energy: 1.4371940401067125
Energy: 0.9686614946729349
Energy: 1.4371940401067125
Energy: 1.0781721711539873
Energy: 1.4256800384528663
Energy: 0.8111442617225766
Energy: 1.4256800384528663
Energy: 0.8105267981788006
Energy: 1.1098745309689306
Energy: 0.9658508157861466
Energy: 1.1098745309683227
Energy: 1.0644849709600002
Energy: 1.1101002806561293
Energy: 0.8118170874658917
Energy: 1.1101002806488334
Energy: 0.8104919301006499
Energy: 1.3992756308842118
Energy: 0.9723079150336655
Energy: 1.39927563088482
Energy: 0.7801170602026404
Energy: 1.3194588043807898
Energy: 0.8071146138398004
Energy: 1.3194588043807898
Energy: 0.8101773618436822
Energy: 1.1103926153779158
Energy: 1.2620982613399814
Energy: 1.1103926153773078
Energy: 0.7709116290413385
Energy: 0.9798175587450094
Energy: 0.8502494592663813
Energy: 0.9798175587450094
Energy: 0.8106454044673553
Energy: 1.3995575650566763
Energy: 1.2568943197730051
Energy: 1.3995575650566763

minimum gb energy = 0.7709116290413385 eV
minimum distance =  2.25678944295569 Angstroms
sigma value = 113


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

Energy: 0.020522328936535363
Energy: 0.02143623693318556
Energy: 1.2236514924601456
Energy: 0.02143623693406843
Energy: 1.222912020804066
Energy: 0.4553861144156765
Energy: 0.4546870015708806
Energy: 0.4553861144147417
Energy: 0.020522328936535363
Energy: 0.021436236933652965
Energy: 1.2235776047886975
Energy: 0.02143623693406843
Energy: 1.222912020804066
Energy: 0.4553861144147417
Energy: 0.45468699974043153
Energy: 0.45538611441520915
Energy: 0.020522328936535363
Energy: 0.021436236933652965
Energy: 1.2239751073457452
Energy: 0.021436236933652965
Energy: 1.222912020804066
Energy: 0.45538611441520915
Energy: 0.45468700001084944
Energy: 0.45538611441520915

minimum gb energy = 0.020522328936535363 eV
minimum distance =  2.4849282625872 Angstroms
sigma value = 1