Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.56183634698391
cohesive_energy=3.9401847031687383
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7667682396108198e-19, 2.49494149799748e-19, 3.0509288335281598e-19, 3.5019255342328197e-19, 3.89101412979972e-19, 4.22463537029754e-19, 4.5138122309682e-19, 4.76609096375784e-19, 4.986918969222059e-19, 5.1883766591812195e-19, 5.369454662355899e-19, 5.52925575983106e-19, 5.66984675946456e-19, 5.79292596848844e-19, 5.89990330234062e-19, 5.99201243702928e-19, 6.07029478736652e-19, 6.1375381406955e-19, 6.1931336698953e-19, 6.23736976676004e-19, 6.27088730194332e-19, 6.2942310155006995e-19, 6.30791360395506e-19, 6.31236765499758e-19, 6.307561125095579e-19, 6.29193990291408e-19, 6.26353331119326e-19, 6.2305444942992e-19, 6.1825593041109e-19, 6.114707123661e-19, 6.02303057666352e-19, 5.90277119851548e-19, 5.7480490009701e-19, 5.55159010210902e-19, 5.30583222821976e-19, 4.99898335927608e-19, 4.6161112090491e-19, 4.1390631162756e-19, 3.5443671932674794e-19, 2.819029787523e-19, 1.9088813070466199e-19, 7.606317548148659e-20, -6.86944447063938e-20, -2.53850468067594e-19, -4.9312593529569e-19, -8.062921867072319e-19, -1.2232169991132479e-18, -1.78868601596394e-18, -2.5728072824098798e-18, -3.70253407057596e-18, -5.3946889443414e-18, -8.068144962899159e-18, -1.2613423942959118e-17, -2.12539945736538e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01917043439119883
Energy: 0.019620647742427878
Energy: 0.6363036857823825
Energy: 1.589405624884375
Energy: 1.5836833587219232
Energy: 0.5722829277690574
Energy: 0.01969180864670511
Energy: 0.019908258173817035
Energy: 1.1355862843739855
Energy: 0.13527363316134067
Energy: 0.3391720564100587
Energy: 1.1273156979331114
Energy: 0.021635749566319768
Energy: 0.1383943102692113
Energy: 0.019800373550958456
Energy: 1.135569491195742
Energy: 0.34048248288435234
Energy: 0.3383604282896251
Energy: 1.1290810796234847
Energy: 0.13557556485445363
Energy: 0.13845520625467192
Energy: 0.023034114365763143
Energy: 1.1294629882328762
Energy: 0.33851113626823176
Energy: 1.128176435242243
Energy: 1.1370753884578493
Energy: 0.1363707346295631
Energy: 0.020735126142933203
Energy: 0.1362616496166056
Energy: 1.1352973249200504
Energy: 0.13615217306341956
Energy: 0.3397493783134483
Energy: 1.1276551324375788
Energy: 0.020589841316204366
Energy: 0.1386896192931911
Energy: 0.019624351036881343
Energy: 1.1326358337703304
Energy: 0.3403080989442021
Energy: 0.33913549529402165
Energy: 1.132215904067806
Energy: 0.13538267402965776
Energy: 0.13825889730473825

minimum gb energy = 0.01917043439119883 eV
minimum distance =  2.49353296433648 Angstroms
sigma value = 5


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

Energy: 1.8457734803569643
Energy: 1.865504479105884
Energy: 2.0302689503733404
Energy: 1.8619333585961555
Energy: 1.903570916802579
Energy: 1.9496532509736113
Energy: 1.8632822027972014
Energy: 1.7963171323755633
Energy: 1.9444005143486394
Energy: 1.8403291849328838
Energy: 2.0223341695952266
Energy: 1.8729245653671558
Energy: 1.8433226429340068
Energy: 1.9476770974321378
Energy: 1.8172959552864647
Energy: 1.9357756831640218
Energy: 1.9107613560987926
Energy: 1.9118928711520893
Energy: 1.8869137889713192
Energy: 1.9412167388969797
Energy: 1.9394886504696
Energy: 1.8213032351190876
Energy: 2.0069967336413415
Energy: 1.8389473554931635
Energy: 1.9077538865007122
Energy: 1.845278455425097
Energy: 1.8202025436076588
Energy: 1.9142291633319215
Energy: 1.9075513577779926
Energy: 1.86104634821085
Energy: 1.8445373683883401
Energy: 1.8605721106943993
Energy: 1.95308566138323
Energy: 1.8503478953198238
Energy: 1.8940156430633484
Energy: 1.9086582372915943
Energy: 1.9388352094395485
Energy: 1.8217765713218688
Energy: 1.9152747563819954
Energy: 1.890898606902606
Energy: 1.9832269730015102
Energy: 2.0458098739899913
Energy: 1.8157003327267691
Energy: 1.9258859764175735
Energy: 1.854633618641231
Energy: 1.805667206723504
Energy: 1.8242929314218348
Energy: 1.9305797608526813
Energy: 1.8921061811124642
Energy: 1.8984785406989024
Energy: 1.8882249914868234
Energy: 1.9235679321052939
Energy: 1.9432424209198247
Energy: 1.857569262300445
Energy: 1.9053108227243556
Energy: 1.941665599061764
Energy: 1.8623408547722156
Energy: 1.8992854165760114
Energy: 1.8359138690790915
Energy: 1.8334792037790815
Energy: 2.064185515126489
Energy: 1.8724488870155371
Energy: 1.9479940434703562
Energy: 1.8381288457173286
Energy: 1.848559120920648
Energy: 1.84553834672867
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Energy: 1.8730742404153353
Energy: 1.9926923472495035
Energy: 1.9380485471008084
Energy: 1.861361838734409
Energy: 1.9124287710174621
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Energy: 1.8161653606464798
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Energy: 2.0222746633692146
Energy: 1.885643997765517
Energy: 1.8271083173208829
Energy: 1.841269193394168
Energy: 1.8322292385666086
Energy: 1.9268441707492057
Energy: 1.90331887881889
Energy: 1.9577699125777859
Energy: 1.9882626386995648
Energy: 1.8556346359937383
Energy: 1.8844107543660318
Energy: 1.9418516534396377
Energy: 1.935595812575661
Energy: 1.9386049823197846
Energy: 1.9760362332734216
Energy: 1.914275953583475
Energy: 1.866033307616607
Energy: 1.8776069603345338
Energy: 1.836411428286768
Energy: 1.9321068652755995
Energy: 1.822092329271361
Energy: 1.948553076578449
Energy: 1.9701505211835784
Energy: 1.882486488330958
Energy: 1.8164312909998515
Energy: 1.8557818793343068
Energy: 1.858515467290734
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Energy: 1.8896952646735745
Energy: 1.999533371330107
Energy: 1.8682876431023412
Energy: 1.8298231816778932
Energy: 1.9282870320867727
Energy: 1.8208787088512064
Energy: 1.8436640247512668
Energy: 1.89439599509961
Energy: 1.9368731735354663
Energy: 1.9093107404886114
Energy: 1.8843954218542873
Energy: 1.809561891290761
Energy: 1.9104733765402022
Energy: 1.8453935191808417
Energy: 1.8310933733029648
Energy: 1.819206031993992
Energy: 1.891675435609192
Energy: 1.9248475239853144
Energy: 1.8439163177149887
Energy: 2.0171138127334065
Energy: 1.798444572211049
Energy: 1.9345027769779852
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Energy: 1.832173914641225
Energy: 1.9799300825097341
Energy: 1.8499986929806722
Energy: 1.8181678996183366
Energy: 1.9002383569932435
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Energy: 1.8655338682545393
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Energy: 1.8359849090580946
Energy: 2.030335702567531
Energy: 1.835829076806444
Energy: 1.8094847315882279
Energy: 1.8247897320603323
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Energy: 1.9379867596712728
Energy: 1.8047927206156185
Energy: 1.924973656749463
Energy: 1.9355992225779988
Energy: 1.9289555722541665
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Energy: 1.9527531605253106
Energy: 1.9270761639379306
Energy: 1.8726331697681977
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Energy: 1.8378248860667514
Energy: 1.8866467663472064
Energy: 1.8796684445571965
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Energy: 1.9964644663698585
Energy: 1.8410046973493397
Energy: 1.8619597429050456
Energy: 2.080422497123304
Energy: 1.874179716908664
Energy: 2.0169356741380144
Energy: 1.9411261130402118
Energy: 1.8647240396383797
Energy: 1.795258240266476
Energy: 1.9357543199509781
Energy: 1.8348591296458987
Energy: 2.0184027285311013
Energy: 1.8939852523069758
Energy: 1.8201670809178874
Energy: 1.9179830877043902
Energy: 1.8299673846997642
Energy: 1.9384702078914626
Energy: 1.9040764554890521
Energy: 1.9113716759586084
Energy: 1.900904768731513
Energy: 1.9536281359408183
Energy: 1.941876737650539
Energy: 1.8177208100492737
Energy: 1.9285030467557893
Energy: 1.849733894697046
Energy: 1.910169568744751
Energy: 1.8645947184524856
Energy: 1.8699312821767404
Energy: 1.9037868099359139
Energy: 1.9056520038378006
Energy: 1.9202213328627442
Energy: 1.8455092770064117
Energy: 1.8589549826247471
Energy: 1.8223720541239201
Energy: 1.8475914198787662
Energy: 1.9228288905954376
Energy: 1.907459561181873
Energy: 1.9367683734967815
Energy: 1.8458939517592774
Energy: 1.9131239170734784
Energy: 1.823610902200135
Energy: 1.8508854915760673
Energy: 1.8620612729885588
Energy: 1.8250426797503005
Energy: 1.880924181767214
Energy: 1.845110672251826
Energy: 1.9903766012872723
Energy: 1.8918948113510845
Energy: 1.9233311024932622
Energy: 1.9036750113314853
Energy: 1.8203783289987658
Energy: 1.8891276620000872
Energy: 1.8215712102502848
Energy: 1.906024472632243
Energy: 1.8617032036912318
Energy: 1.9445413140625312
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Energy: 1.8505832236375044
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Energy: 1.8767944561600778
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Energy: 1.950409122573746
Energy: 1.836270125914002
Energy: 1.9241216343096224
Energy: 1.8958351678709662
Energy: 1.8576973958333893
Energy: 1.7628424509299145
Energy: 2.0082726556532173
Energy: 1.8808713564344248
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Energy: 1.8663479601460402
Energy: 1.836489608467917
Energy: 1.9110518079855978
Energy: 1.9390057553194555
Energy: 1.8176278476604724
Energy: 1.9836953244692426
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Energy: 1.9722793309278743
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Energy: 1.844011025583092
Energy: 1.9474533253545994
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Energy: 1.833234018800453
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Energy: 1.8874933011128228
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Energy: 1.938832623508482
Energy: 1.8265321626305029
Energy: 1.8655376427963246
Energy: 1.9498802896503764
Energy: 1.9813251476979188
Energy: 1.8518180787443208
Energy: 1.8596461111243279
Energy: 1.7980874264248459
Energy: 1.8552160653333374
Energy: 1.99978369001575
Energy: 1.8323082899489573
Energy: 1.9504566162674446
Energy: 1.954385395841463
Energy: 1.8856717095453783
Energy: 1.9764246919645676
Energy: 1.8529681811665655
Energy: 1.9070145640081846
Energy: 1.8414365944179631
Energy: 1.8380394544884224
Energy: 1.9184668480991658
Energy: 1.860228177190086
Energy: 1.8495645301639598
Energy: 1.9257720640177982
Energy: 1.7997713154710173
Energy: 1.931006918605268
Energy: 1.8485571063030117
Energy: 1.9278214890384568
Energy: 1.9107180407399091
Energy: 1.8404292203580306
Energy: 1.809096940615109
Energy: 1.9116427426357172
Energy: 1.807464513835589
Energy: 1.9106156691543452
Energy: 1.8495422709797067
Energy: 1.889676391487682
Energy: 1.885289527894619
Energy: 1.8309779756594773
Energy: 1.8772989620217704
Energy: 1.799328352944536
Energy: 1.9326804182834239
Energy: 1.932331770403567
Energy: 1.8358806155999876
Energy: 1.8414437299858215
Energy: 1.8437795673626964
Energy: 1.821558910670059
Energy: 1.9003665653526514
Energy: 1.8751538572193989
Energy: 1.9484854030171301
Energy: 1.9349310014302699
Energy: 1.8091893413778748
Energy: 1.8329742379019547
Energy: 1.995019668192393
Energy: 1.7963491121796262
Energy: 1.929914726903235
Energy: 1.8293119693502733
Energy: 1.8277388586739534
Energy: 1.8895078639920981
Energy: 1.7912276187639267
Energy: 1.9272077450798712
Energy: 1.7800379217548057
Energy: 1.9768933613154622
Energy: 1.8590762605768683
Energy: 1.8222797703404583
Energy: 1.9035569546712254
Energy: 1.8741972695202789
Energy: 1.856242175710582
Energy: 1.880173476632444
Energy: 1.8576093849954198
Energy: 1.9019446648542597
Energy: 1.7915968261677808
Energy: 1.901641993297906
Energy: 1.843944948129939
Energy: 1.811851943528287
Energy: 1.8799523945812509
Energy: 1.8562670102531476
Energy: 1.8881622410416676
Energy: 1.9509038596365027
Energy: 1.8928187846225635

minimum gb energy = 1.7628424509299145 eV
minimum distance =  2.22904114498126 Angstroms
sigma value = 401


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

Energy: 1.8937839126123233
Energy: 1.8387290858595855
Energy: 1.923484472807206
Energy: 1.9252396201901272
Energy: 1.8686019525021533
Energy: 1.8516505194597643
Energy: 1.828864249828507
Energy: 1.8220248379490722
Energy: 1.9016869413177833
Energy: 1.930046831837925
Energy: 2.068859500594561
Energy: 1.8034098255842208
Energy: 1.8036750979870044
Energy: 1.906257467279102
Energy: 1.8320212075916766
Energy: 1.8466474504941404
Energy: 1.9176055835914003
Energy: 1.9274742996547658
Energy: 1.8431592969109656
Energy: 1.8932316339085062
Energy: 1.91703764085895
Energy: 1.8604379112697567
Energy: 1.9352102916298206
Energy: 1.8360999796825157
Energy: 1.897373043122549
Energy: 1.8106203014625004
Energy: 1.868579457632718
Energy: 1.9466452421036478
Energy: 1.9232581408033886
Energy: 1.8744491679508444
Energy: 1.8235499797871408
Energy: 1.8242250384419583
Energy: 1.7973392930073684
Energy: 1.8702208454244675
Energy: 2.0389923911488115
Energy: 1.7750352237033258
Energy: 1.8553094398820855
Energy: 1.8251273359469444
Energy: 1.8744672057967489
Energy: 1.7825289411158172
Energy: 1.8986065256486269
Energy: 2.0695663779024196
Energy: 1.8544403812340555
Energy: 1.8577739671153095
Energy: 1.8374812879672477
Energy: 1.8483609349238261
Energy: 1.783190099966002
Energy: 1.8707012942007706
Energy: 1.8998617561532687
Energy: 1.8240039634903944
Energy: 1.8594377021378925
Energy: 1.8247443362866194
Energy: 1.880341483667452
Energy: 1.9958968790586444
Energy: 1.8703731540021602
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Energy: 1.7910254209181893
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Energy: 1.810587728701431
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Energy: 1.8616540400345116
Energy: 1.804588564424243
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Energy: 1.8136607696814544
Energy: 1.887288885115015
Energy: 1.9241190692829258
Energy: 1.856913536523159
Energy: 1.8249103430313542
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Energy: 1.8010650256345988
Energy: 1.8708855454142752
Energy: 2.20370941255221
Energy: 1.9232571789541792
Energy: 1.8564534962480825
Energy: 1.8245499009594897
Energy: 1.8747927534665865
Energy: 1.8002618985128431
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Energy: 2.0726084047780087
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Energy: 1.8443032937492125
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Energy: 1.778517817953431
Energy: 2.0104573014179548
Energy: 1.899846709145227
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Energy: 1.8265254102856854
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Energy: 1.8788316135134908
Energy: 1.9516987985912222
Energy: 1.8054525077222137
Energy: 1.8016776069733682
Energy: 1.8975852947699559
Energy: 1.8312662782377216
Energy: 1.8582385692332346
Energy: 1.98258894718486
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Energy: 1.8733732557833302
Energy: 1.8484590371444294
Energy: 1.9015574264744024
Energy: 1.8238749502332674
Energy: 1.8546456812819383
Energy: 2.102746465894261
Energy: 1.9389673913860948
Energy: 1.8687955242834082
Energy: 1.7816943604475695
Energy: 1.8830206730344898
Energy: 1.8217421080122396
Energy: 1.9172425407329954
Energy: 1.8882261085151684
Energy: 2.0804038374653167
Energy: 1.8736905634539422
Energy: 1.779843935456763
Energy: 1.897735758101073
Energy: 1.8328993980335466
Energy: 1.8564263031869255
Energy: 1.9892418339299878
Energy: 1.9383935019264045
Energy: 2.021711434111564
Energy: 1.8709585960457737
Energy: 1.9008323894436023
Energy: 1.8550698797871075
Energy: 1.848609518075842
Energy: 1.841414258856182
Energy: 1.8762917279487747
Energy: 1.8024213689329327
Energy: 1.8065986924925312
Energy: 1.8865442572422428
Energy: 1.7741927423216637
Energy: 1.8550288658192375
Energy: 1.824943626792909
Energy: 1.8811409498936265
Energy: 1.7844806764655954
Energy: 1.8754701112340793
Energy: 2.206415034613635
Energy: 2.0765502106511144
Energy: 1.88686231275707
Energy: 1.8237267181798895
Energy: 1.8243388257164694
Energy: 1.7969435257933124
Energy: 1.8684056121418946
Energy: 1.9139964203247308
Energy: 1.8598869684232864
Energy: 1.9359437030415563
Energy: 1.835857352859982
Energy: 1.8417758007752503
Energy: 1.7837080550000988
Energy: 1.8685352667959962
Energy: 1.9099024656566381
Energy: 1.8632613352027376
Energy: 1.8653192474006648
Energy: 1.846798395268053
Energy: 1.9003065726353456
Energy: 1.7822288086072824
Energy: 1.916216927217543
Energy: 2.047475685283885
Energy: 1.8222762039701803
Energy: 1.842401507266216
Energy: 1.9053935560563187
Energy: 1.9494628281647328
Energy: 1.803498747753846
Energy: 1.8033365054212167
Energy: 1.8838344342040503
Energy: 1.8366892638273233
Energy: 1.8479942406501586
Energy: 1.8654980654809274
Energy: 1.937634742441935
Energy: 1.9387633522577148
Energy: 1.8486724500189873
Energy: 1.8335097617238718
Energy: 1.8211546494520012
Energy: 1.9174465726140457
Energy: 1.8863670651991509
Energy: 2.0703114565315577
Energy: 1.9191519416402105
Energy: 1.7847700301086764
Energy: 1.8972941820006437
Energy: 1.8240005952025744
Energy: 1.8545470466729053
Energy: 1.9730488713157608
Energy: 1.722466344350902
Energy: 1.875373436322509
Energy: 1.8014661401977352
Energy: 1.8830245657964393
Energy: 1.831552993219872
Energy: 1.8574891600055132
Energy: 1.981595166343069
Energy: 1.7802072682208434
Energy: 1.9765929267260784
Energy: 1.875791575604685
Energy: 1.9007567159877061
Energy: 1.8563438477282423
Energy: 1.845641946433616
Energy: 1.8377434707149345
Energy: 1.9611467247958132
Energy: 1.8052979327458472
Energy: 1.8059435702033642
Energy: 1.9236184818142366
Energy: 1.7874315047828293
Energy: 1.8701565734296763
Energy: 1.8243988057475458
Energy: 1.899072967470972
Energy: 1.8429676880051835
Energy: 1.811183574639913
Energy: 2.238338676263907
Energy: 2.071959072270976
Energy: 1.8959880093452632
Energy: 1.8242126586159806
Energy: 1.8233450675244944
Energy: 1.7940871177081996
Energy: 1.8782279250524767
Energy: 1.912597533926764
Energy: 1.790390040516497
Energy: 1.9377822072413913
Energy: 1.8361836390855428
Energy: 1.8988970700387238
Energy: 1.7936636782562128
Energy: 1.868792088440133
Energy: 1.906800073026317
Energy: 1.8604433943960679
Energy: 1.8653545634621211
Energy: 1.8364599537504838
Energy: 1.9002293779524277
Energy: 1.7946200965922148
Energy: 1.9377246434445548
Energy: 2.0471101586802627
Energy: 1.823939704486084
Energy: 1.8434993097124663
Energy: 1.901749341307067
Energy: 1.8358962167981983
Energy: 1.8731097011833493
Energy: 1.8027630593416166
Energy: 1.8822695822791098
Energy: 1.832450460432209
Energy: 1.8471852980520718
Energy: 1.8589749081730484
Energy: 1.9359523965585372
Energy: 1.929946690734134
Energy: 1.7896000959276628
Energy: 1.8868489504690034
Energy: 1.8262670131549792
Energy: 1.9034329841905546
Energy: 1.8647091586657187
Energy: 2.069581352731665
Energy: 1.806945011584234
Energy: 1.7728087996636126
Energy: 1.8857568334894548

minimum gb energy = 1.722466344350902 eV
minimum distance =  2.24192749097212 Angstroms
sigma value = 311


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

Energy: 1.9761457554154505
Energy: 1.9249296341864806
Energy: 2.062045294788353
Energy: 1.9242365709421558
Energy: 1.9340611872375044
Energy: 1.9744903333704937
Energy: 1.953360644089871
Energy: 1.8990953446217016
Energy: 1.8858221224076763
Energy: 1.9317429170485991
Energy: 1.936242532537532
Energy: 2.045315064620127
Energy: 1.9111897975235483
Energy: 1.8662122385572286
Energy: 1.9357594593632903
Energy: 1.9706705379563643
Energy: 1.9049102915162741
Energy: 1.93700060127419
Energy: 1.8961059229872754
Energy: 1.9158217985380772
Energy: 1.8990122071493858
Energy: 1.9723715032526876
Energy: 2.0322797558318384
Energy: 1.9726830327569815
Energy: 2.112507588563717
Energy: 1.9523829243614346
Energy: 1.9617625591617962
Energy: 1.9354985970057361
Energy: 1.888210461317857
Energy: 1.9422999401651226
Energy: 1.9044591103172246
Energy: 1.900052207896468
Energy: 1.902431651745036
Energy: 1.8881595760459382
Energy: 1.9152570786422631
Energy: 1.8827007243157003
Energy: 1.9075543295042297
Energy: 1.864435448791718
Energy: 1.8548673099728172
Energy: 1.8558696410718518
Energy: 1.8829868788480328
Energy: 1.9063722632134927
Energy: 1.9725080308156397
Energy: 1.9344768059445023
Energy: 1.9341709738907473
Energy: 1.9237369660955896
Energy: 1.8631270255479062
Energy: 1.9803559946025804
Energy: 1.9540395106988584
Energy: 1.9297315432669186
Energy: 1.885071731667013
Energy: 1.9086952878744519
Energy: 1.8868526032558757
Energy: 1.9937499227420927
Energy: 1.9147135585357968
Energy: 1.9694517932872542
Energy: 1.977843486430819
Energy: 1.933933524847887
Energy: 1.8962909864189894
Energy: 1.9252065651924537
Energy: 1.8956744555975318
Energy: 1.915305384749671
Energy: 1.9333760196044862
Energy: 1.972007641300355
Energy: 2.0277303671751064
Energy: 1.9709403362806053
Energy: 2.011879572164701
Energy: 1.8945384634997597
Energy: 1.9622523774366938
Energy: 1.8856386846434212
Energy: 1.9215976717779817
Energy: 1.9339737496597664
Energy: 1.9025979034775347
Energy: 1.8906215601971403
Energy: 1.9044971108452544
Energy: 1.8880626921080543
Energy: 1.9332306415825395
Energy: 1.8858217124639458
Energy: 1.9074233788570756
Energy: 1.8650359213958116
Energy: 1.8550684036193128
Energy: 1.8880146421313642
Energy: 1.8850279577338702
Energy: 1.906736207716503
Energy: 1.9768896789333912
Energy: 1.9344239506474965
Energy: 2.0619992825598583
Energy: 1.9231007286967536
Energy: 1.8970960664099905
Energy: 1.9803511519955581
Energy: 1.9462675267908096
Energy: 1.9289216336151613
Energy: 1.8840304872753495
Energy: 1.907303760586955
Energy: 1.8851904236779566
Energy: 2.060658638781049
Energy: 1.915073398599313
Energy: 2.0288926809420427
Energy: 1.9790448548074193
Energy: 1.9878519053539168
Energy: 1.9320426539501625
Energy: 1.9175461639735552
Energy: 1.8961652858436426
Energy: 1.9160139804836929
Energy: 1.986220321574295
Energy: 1.9857378606568363
Energy: 1.866246527762551
Energy: 1.9714320458230397
Energy: 1.9719667605973012
Energy: 1.8842909991931696
Energy: 1.8869137449111655
Energy: 1.8843317106460225
Energy: 1.9241683121414337
Energy: 1.920804560240822
Energy: 1.9007488228572336
Energy: 1.8899596813449502
Energy: 1.9020314427531215
Energy: 1.8882954817642241
Energy: 1.9342910799698332
Energy: 1.8815582972333946
Energy: 1.9069995806701856
Energy: 1.9179431871968315
Energy: 1.8613922730683707
Energy: 1.8888070171928586
Energy: 1.8588849583725546
Energy: 1.90731780661216
Energy: 1.9776624391613438
Energy: 1.9866203572929322
Energy: 2.062290629117936
Energy: 1.9283272772843763
Energy: 1.8998216000008703
Energy: 1.9806230981684902
Energy: 1.95463661900607
Energy: 1.9302353771014489
Energy: 1.9349402344688185
Energy: 1.9088182231127098
Energy: 1.9487774981151904
Energy: 2.057166340543367
Energy: 1.976350608887321
Energy: 2.0311660541390237
Energy: 1.979537902686538
Energy: 1.9188423950262745
Energy: 1.9315611260524215
Energy: 1.9202591497298878
Energy: 1.8696222623693062
Energy: 1.9435044821183658
Energy: 1.9862200621429733
Energy: 1.986021439635591
Energy: 1.9069930574864102
Energy: 1.8984059092097876
Energy: 1.8577142751240168
Energy: 1.9025302128346133
Energy: 1.8867066204398109
Energy: 1.919191379504738
Energy: 1.8970410494278902
Energy: 1.927089312890527
Energy: 1.8973689965136353
Energy: 1.9964025186458758
Energy: 1.897832284642253
Energy: 1.8925782944601117
Energy: 1.9176533059001366
Energy: 1.8346007467578764
Energy: 1.9782926132739032
Energy: 1.882636490958902
Energy: 1.861372544576561
Energy: 1.8932060288410013
Energy: 1.8600634159592675
Energy: 1.907159832951631
Energy: 1.9770662495343736
Energy: 1.9213101959782841
Energy: 2.0634536783432433
Energy: 1.9280909826545058
Energy: 1.897316678053598
Energy: 1.9810583696840454
Energy: 1.9864572400297726
Energy: 1.9076139970945964
Energy: 1.9410988814262755
Energy: 1.906175673390771
Energy: 1.8858766831003202
Energy: 2.0603089558748806
Energy: 1.8875484078235067
Energy: 2.0314978822778853
Energy: 1.9733144791818116
Energy: 1.9186097999919325
Energy: 1.9319221675837979
Energy: 1.9179011289611225
Energy: 1.8926074517114055
Energy: 1.9160992254888594
Energy: 1.986441551564639
Energy: 1.9403343738503858
Energy: 1.9073641013909286
Energy: 1.9289687861809075
Energy: 1.856667303819496
Energy: 1.8849158800443735
Energy: 1.8706748723227191
Energy: 1.919470841496098
Energy: 1.8982451851291655
Energy: 1.9245195538145885
Energy: 1.8965715240630112
Energy: 1.8891441591114444
Energy: 1.8979622883811762
Energy: 1.8927355449748522
Energy: 1.9166672824356832
Energy: 1.956659177998633
Energy: 1.97790060116259
Energy: 1.9823032475569338
Energy: 1.8598116141559893
Energy: 1.8993264436092245
Energy: 1.974539932176427
Energy: 1.922782952558995
Energy: 1.9756270092712074
Energy: 1.9222172042314036
Energy: 1.899278592718753
Energy: 1.9287804975884144
Energy: 1.8912775606131897
Energy: 1.9051400056221848
Energy: 1.9745437797130259
Energy: 1.9068377716992169
Energy: 1.9388057145485464
Energy: 1.9081069157694606
Energy: 1.9886360575454551
Energy: 2.0615172815223284
Energy: 1.8869222640479624
Energy: 2.0103920249067673
Energy: 1.9942729653349485
Energy: 1.9177917659671262
Energy: 1.8924108454450137
Energy: 1.9167680660140423
Energy: 1.8903350739151492
Energy: 1.9116939471653753
Energy: 1.9867928124771568
Energy: 1.9398232045781416
Energy: 1.9072204358289198
Energy: 1.9222278105023687
Energy: 1.8557092662068086
Energy: 1.9205868868332048
Energy: 1.9413445864289367
Energy: 1.9214677018679318
Energy: 1.9205174712662405
Energy: 1.9379721734589053
Energy: 1.896184746184085
Energy: 1.888130791902668
Energy: 1.8982679100574036
Energy: 1.9112716221502677
Energy: 1.9393625402137624
Energy: 1.9588736690364954
Energy: 1.9325696965210444
Energy: 1.83447432526828
Energy: 1.8986646012969421
Energy: 1.8988324703098962
Energy: 1.973148030347526
Energy: 1.9381214893359782

minimum gb energy = 1.83447432526828 eV
minimum distance =  2.2367448723321 Angstroms
sigma value = 39


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

Energy: 1.7915595161125055
Energy: 1.8382452555979643
Energy: 2.6036293599136218
Energy: 2.2099367649938992
Energy: 1.8774014733568865
Energy: 2.0008665532632803
Energy: 1.7699122165173178
Energy: 1.7681544401689147
Energy: 1.923249197956826
Energy: 1.8125982496256128
Energy: 1.9130988637045825
Energy: 1.9221429897987403
Energy: 1.8879091726251547
Energy: 1.892457360930399
Energy: 1.8858501461950266
Energy: 1.7313472773786802
Energy: 1.8123743848938658
Energy: 2.048762092599157
Energy: 1.9075798867908478
Energy: 1.8865864344240884
Energy: 1.884524872364944
Energy: 1.8836115702047953
Energy: 1.7314366400294918
Energy: 1.816814834030184
Energy: 1.728994635872765
Energy: 2.0085017428509433
Energy: 1.8156592287819517
Energy: 2.092074711668558
Energy: 1.9233696567344398
Energy: 1.9204577559568319
Energy: 2.0554624177228695
Energy: 1.8158891274464006
Energy: 2.024357326783735
Energy: 1.8371057436874996
Energy: 1.8853853993592395
Energy: 1.7681566820137489
Energy: 1.9175834083558048
Energy: 1.8140901089835346
Energy: 1.7297983417812512
Energy: 1.9066885411810544
Energy: 1.8846173580022767
Energy: 1.891283473031581
Energy: 1.8848430913642258
Energy: 1.8665898840766895
Energy: 1.8129988482165584
Energy: 1.9260846880403182
Energy: 1.7704728800907732
Energy: 1.771307823819866
Energy: 1.890749057486422
Energy: 1.7695544796450011
Energy: 1.9183585008093569
Energy: 2.0135305341765237
Energy: 1.7314048435406864
Energy: 2.0129373526097023
Energy: 1.8139523464840073
Energy: 1.9343731662405823
Energy: 1.7694299919822243
Energy: 1.917886932179633
Energy: 2.008291067352685
Energy: 1.7284933227048558
Energy: 1.9171333797146348
Energy: 1.835160214507682
Energy: 1.933764040926222
Energy: 1.8845345552019517
Energy: 1.857750896052448
Energy: 1.8139106113613708
Energy: 1.9145000195909032
Energy: 1.9072255961804199
Energy: 1.8845474436097502
Energy: 1.884229252491026
Energy: 1.8817939475650214
Energy: 1.8524723545952015
Energy: 1.8141073778979626
Energy: 1.7297116007807163
Energy: 1.9238480223378729
Energy: 1.891988759990228
Energy: 1.983937873662967
Energy: 1.9271246229259904
Energy: 1.7902016082108019
Energy: 1.8533620598679403
Energy: 1.7292063257073729
Energy: 1.9131493812774147
Energy: 1.8340668614725864
Energy: 1.8920241198215941
Energy: 1.7714377670597408
Energy: 1.7899852124888294
Energy: 2.013938566124279
Energy: 1.8168298373528158
Energy: 1.926879784045705
Energy: 1.7466474503787157
Energy: 1.885038583985099
Energy: 1.8832605437203151
Energy: 1.730720661636749
Energy: 1.8129883861377973
Energy: 1.954974042997801
Energy: 1.7699431034922413
Energy: 1.7708775336527127
Energy: 1.8919689176749375
Energy: 1.7682442541404526
Energy: 1.8531651824502058
Energy: 1.8121893615312799
Energy: 1.932568464428884
Energy: 1.769041436304374
Energy: 1.7697650856813707
Energy: 1.8920256714506598
Energy: 1.768873270695431
Energy: 1.9757974270252572
Energy: 1.92682676626044
Energy: 1.8134189503252531
Energy: 1.8934226027820102
Energy: 2.0014429991290275
Energy: 1.7692135564444487
Energy: 1.8932474752557675
Energy: 1.9238537725146805
Energy: 1.812618050624222
Energy: 1.9132650508965363
Energy: 1.91902540464468
Energy: 1.8873909220466958
Energy: 1.8915156833110456
Energy: 1.8866094015323236
Energy: 1.733810810031703
Energy: 1.8131565349954275
Energy: 2.049677320511444
Energy: 1.9084612169447528
Energy: 1.8862152065010755
Energy: 1.9735427008685498
Energy: 1.8833682036467438
Energy: 1.7313571823847616
Energy: 1.816811373671588
Energy: 1.7287053350792354
Energy: 2.0093759064792
Energy: 1.816262734362218
Energy: 2.0923865773493637
Energy: 1.9224123472105175
Energy: 1.920179589270818
Energy: 2.0555663417241066
Energy: 1.8159823509415458
Energy: 2.016458722736866
Energy: 1.8130153665705186
Energy: 1.885206539398097
Energy: 1.7681816881241301
Energy: 1.917995956561316
Energy: 1.8141748071366823
Energy: 1.7286805977969184
Energy: 1.9063551562216765
Energy: 1.769271669809601
Energy: 1.9151901749940947
Energy: 1.8845790162009957
Energy: 1.8565498081946548
Energy: 1.8128158350654817
Energy: 1.925893701003394
Energy: 1.770538796895746
Energy: 1.7714002095828791
Energy: 1.890786214322159
Energy: 1.771565316964551
Energy: 1.917861751789238
Energy: 2.0133364138051553
Energy: 1.7306312964317327
Energy: 2.011936222675609
Energy: 1.8126846229775777
Energy: 1.934366265795346
Energy: 1.7683751697096375
Energy: 1.917460139158627
Energy: 2.009844117354664
Energy: 1.7310220661531266
Energy: 1.917154217523153
Energy: 1.8183920167392809
Energy: 1.891255999441103
Energy: 1.8834205953748562
Energy: 1.8528607879168872
Energy: 1.8138380867865447
Energy: 1.914406511255478
Energy: 1.907130228605892
Energy: 1.8844740743504311
Energy: 1.8842083123305038
Energy: 1.8833460688402046
Energy: 1.8524744913690467
Energy: 1.8143859033490797
Energy: 1.7318950394278487
Energy: 1.9228930014453813
Energy: 1.8138559073264227
Energy: 1.9829206450535826
Energy: 1.9251253342267491
Energy: 1.9210032169721882
Energy: 1.7304523955250748
Energy: 1.7302255139456106
Energy: 1.9132835553452516
Energy: 1.8174962660585972
Energy: 1.8920865847310018
Energy: 1.771045634955009
Energy: 1.7906480431345089
Energy: 2.01451463883738
Energy: 1.8187563815813625
Energy: 1.9287729409738663
Energy: 1.837015379013972
Energy: 1.8848227248790876
Energy: 1.8816940783360583
Energy: 1.7311695940695009
Energy: 1.8128284615035122
Energy: 1.9543408415976269
Energy: 1.770357430460655
Energy: 1.7702211680025508
Energy: 1.8909985327165062
Energy: 1.7681007658936394
Energy: 1.8539808292305568
Energy: 1.8123159284660268
Energy: 1.7286666922987826
Energy: 1.7691433438354665
Energy: 1.7694839522397658
Energy: 1.8922700367673693

minimum gb energy = 1.7284933227048558 eV
minimum distance =  2.27319405211833 Angstroms
sigma value = 21


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

Energy: 2.2785535096791416
Energy: 2.125953547147592
Energy: 1.7301286028945049
Energy: 2.279355388666389
Energy: 1.8422436625696934
Energy: 1.8427650565882083
Energy: 2.1897192940396955
Energy: 1.9184533701884277
Energy: 1.9052817866644218
Energy: 2.027174321093957
Energy: 1.789063401793607
Energy: 1.7130741129289
Energy: 2.01181318633141
Energy: 1.8468761113108205
Energy: 1.9778105037593283
Energy: 1.834454975910514
Energy: 1.8551782367476717
Energy: 1.9057124612806366
Energy: 1.8211537205650385
Energy: 1.8355045699458357
Energy: 1.8507404888042827
Energy: 2.1983476469505785
Energy: 1.8345283083240003
Energy: 1.8972470409241533
Energy: 1.8994991839450868
Energy: 1.90477788095827
Energy: 1.8419211311844386
Energy: 2.103671804059893
Energy: 1.8031081702755425
Energy: 1.7932388079581894
Energy: 1.8901873619909535
Energy: 1.7560640688300926
Energy: 1.680136118467482
Energy: 1.858148465203081
Energy: 1.8381244264019747
Energy: 1.7558496019853977
Energy: 1.7116393759272195
Energy: 1.939407005441095
Energy: 1.8262557037625533
Energy: 1.6719059865696104
Energy: 1.8371045552988918
Energy: 1.8152794031640231
Energy: 2.0164539416220064
Energy: 1.7459452351701668
Energy: 1.8434872381425274
Energy: 1.8477605515666171
Energy: 1.7552990599761165
Energy: 1.755416609018163
Energy: 1.8134780281760732
Energy: 1.843295230865123
Energy: 1.7590380489365494
Energy: 1.8594210751748015
Energy: 1.8911217694744316
Energy: 1.8462297262354925
Energy: 1.8039279709064735
Energy: 1.822480619124246
Energy: 1.8807524654973533
Energy: 1.7812025592997913
Energy: 1.9058678191179153
Energy: 1.9376220794367693
Energy: 1.8252953646760417
Energy: 2.042149626113625
Energy: 1.8406272272957664
Energy: 2.236994394308879
Energy: 1.9998432814522522
Energy: 1.7399292404221238
Energy: 1.8628266969514744
Energy: 1.8427087073749833
Energy: 1.8454826408675287
Energy: 1.8028388731602962
Energy: 1.9221746925586736
Energy: 1.8530340311461206
Energy: 1.8774716216948995
Energy: 1.9300906850093935
Energy: 1.7550978001758701
Energy: 1.755301582561154
Energy: 1.8616114360737428
Energy: 1.8460493264536075
Energy: 1.8987793204722316
Energy: 2.0596892064264316
Energy: 1.9323957606413118
Energy: 1.9551561304941592
Energy: 2.1236535604074867
Energy: 1.8376420226932957
Energy: 2.1232846384599173
Energy: 1.8412387339029925
Energy: 1.8125414710987744
Energy: 2.0607766228994784
Energy: 1.7741946381174785
Energy: 1.848801466907841
Energy: 1.7552494412015918
Energy: 1.7542719388857015
Energy: 1.8361319168743417
Energy: 1.8797509076867547
Energy: 1.9129915747853223
Energy: 1.7745183526808488
Energy: 1.850259888323141
Energy: 1.8472273232937437
Energy: 1.8433313743900466
Energy: 1.9006909058742176
Energy: 1.8676682456790064
Energy: 1.7752553253267807
Energy: 1.9212336992895116
Energy: 2.006197114064419
Energy: 1.7913285729495658
Energy: 1.888963511067978
Energy: 1.7048523928563775
Energy: 1.8480312861358705
Energy: 1.8436216980226938
Energy: 1.847658553628568
Energy: 1.8357456152335032
Energy: 1.8484461576703468
Energy: 1.8037936933024232
Energy: 1.8988361820249267
Energy: 1.8541799378608268
Energy: 1.755284089663651
Energy: 1.6152910935835647
Energy: 1.8158319811616639
Energy: 1.9388254355929864
Energy: 1.7576302631794039
Energy: 1.6968656047911939
Energy: 1.8763088316856436
Energy: 1.757351523557644
Energy: 1.8372344809967738
Energy: 1.8171552915637037
Energy: 1.8019816166363207
Energy: 2.12302418143674
Energy: 1.758374037532894
Energy: 1.895717370094165
Energy: 1.742477174466169
Energy: 1.7561609737044106
Energy: 1.7555834638336
Energy: 1.8162279756830302
Energy: 1.8037079462602483
Energy: 1.7570903467208214
Energy: 1.8359510936005858
Energy: 1.891025156376066
Energy: 1.8045409055921204
Energy: 1.8033980947002324
Energy: 1.8412940449699695
Energy: 1.8433811980862618
Energy: 1.6968537675987754
Energy: 1.9363557490828667
Energy: 1.907936919004421
Energy: 1.8349400667410496
Energy: 2.0509597086915883
Energy: 1.8826368501142003
Energy: 1.9890672354042733
Energy: 1.7733632412685933
Energy: 1.8658098743146563
Energy: 1.8875303940889168
Energy: 1.708125721894222
Energy: 1.8158311477880882
Energy: 1.8139231303469616
Energy: 1.8954002571264992
Energy: 1.7602681740689852
Energy: 1.810602180858462
Energy: 1.8551415704912422
Energy: 1.8637520437201194
Energy: 1.8479266452314995
Energy: 1.8042239128501856
Energy: 1.8435029313047255
Energy: 1.9009157839106399
Energy: 1.728536677381794
Energy: 1.8551805479458185
Energy: 2.124389234286294
Energy: 2.1242178006754693
Energy: 1.8168237019303362
Energy: 1.7541267061497758
Energy: 1.903850410202971
Energy: 1.8020467001681462
Energy: 1.9176933140084695
Energy: 1.9032719035017913
Energy: 1.8477589962972296
Energy: 1.861543084330546

minimum gb energy = 1.6152910935835647 eV
minimum distance =  2.25087638258737 Angstroms
sigma value = 113


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

Energy: 2.2102087717262586
Energy: 2.1272466218428963
Energy: 1.727179277647899
Energy: 1.7097285144109928
Energy: 1.8045293649876688
Energy: 1.8144061930437987
Energy: 1.9925237691759903
Energy: 1.9104479429079777
Energy: 1.7866790988313097
Energy: 1.7291650046369311
Energy: 1.796671558747776
Energy: 1.6916501591364557
Energy: 1.7616188714301173
Energy: 1.7108508224867582
Energy: 2.0220326396413015
Energy: 1.918289651706121
Energy: 1.9475039015374747
Energy: 1.765644888679466
Energy: 1.6879821533405592
Energy: 1.8697783054899304
Energy: 1.770461525333516
Energy: 1.7971166077009197
Energy: 1.8698912929850091
Energy: 1.7130263178529965
Energy: 1.7322916105625388
Energy: 1.7172475351295926
Energy: 1.7077583860987016
Energy: 1.9220903126690312
Energy: 1.6850016975323716
Energy: 1.770129328187269
Energy: 1.7161846495943125
Energy: 1.7758162477067638
Energy: 1.828539520219093
Energy: 1.7303005792590418
Energy: 2.0115556653238524
Energy: 1.9095289783608163
Energy: 1.8652891589624685
Energy: 1.8531914753833478
Energy: 1.7030275196664206
Energy: 1.8466989015650328
Energy: 1.9340089062062413
Energy: 1.773784472573799
Energy: 1.8965205965472167
Energy: 1.7613868347266748
Energy: 1.8305286375729335
Energy: 1.7806460451349722
Energy: 1.6859409552985076
Energy: 1.7698361172154649
Energy: 1.9050156246263725
Energy: 1.7233392671256655
Energy: 1.7771344626623171
Energy: 1.7327517414584137
Energy: 1.6911115219162798
Energy: 1.9004266561147736
Energy: 1.714307423162895
Energy: 1.665945418421001
Energy: 1.7139751366966123
Energy: 1.8017621203185408
Energy: 1.9730615892577616
Energy: 1.71821391793508
Energy: 1.742222913071231
Energy: 1.9171224802564726
Energy: 1.7409153425882293
Energy: 1.9310841997111023
Energy: 1.8243669805730596
Energy: 1.909346429905429
Energy: 1.730109936825658
Energy: 1.7912450288506117
Energy: 1.7590906732898022
Energy: 1.6948737574713222
Energy: 1.9377973012808412
Energy: 1.7259615738197451
Energy: 1.8496332719807866
Energy: 1.7451801686841257
Energy: 1.817144580411736
Energy: 1.8598197590398469
Energy: 1.7102357643163346
Energy: 1.8354693845747114
Energy: 1.7355539559379944
Energy: 2.0615453928497804
Energy: 1.8548936704597205
Energy: 1.9446596830083391
Energy: 2.1786292565067917
Energy: 1.7425210869657577
Energy: 1.8150283699817022
Energy: 1.7589957510726595
Energy: 1.8391493676281814
Energy: 1.7347019451565167
Energy: 1.7690652463616332
Energy: 1.6995673242510867
Energy: 1.7238805424701955
Energy: 1.9427644146902778
Energy: 1.7832897959257932
Energy: 1.8247676706601619
Energy: 1.8157576485299707
Energy: 1.746983228385794
Energy: 1.8220239835318484
Energy: 1.68354679556483
Energy: 1.802051855687155
Energy: 1.7254931697168348
Energy: 1.980325013230579
Energy: 1.8481435498981564
Energy: 1.6867081491465588
Energy: 1.843119484184284
Energy: 1.7118554253982035
Energy: 1.6883930245933259
Energy: 1.7680023438930004
Energy: 1.704367034001906
Energy: 1.8876117041140195
Energy: 1.728886638027356
Energy: 1.7315062263615693
Energy: 1.9150107008435404
Energy: 1.7120552726592901
Energy: 1.911641987114779
Energy: 1.861782850203916
Energy: 1.7608112533438036
Energy: 1.6979388148953816
Energy: 1.6958428233073948
Energy: 1.9913362614948402
Energy: 1.923603189575251
Energy: 1.9939917051140466
Energy: 1.8707498956258126
Energy: 1.7029665775270901
Energy: 1.9049539900352297
Energy: 1.8140429830720235
Energy: 1.7963645025869281
Energy: 1.8060822994148868
Energy: 1.943855725329882
Energy: 1.9041938292706782
Energy: 1.6858720242063212
Energy: 1.7769442619984883
Energy: 1.7321463339376633
Energy: 1.8539485046108244
Energy: 1.8166584893071855
Energy: 1.7050941386321308
Energy: 1.726348147674229
Energy: 1.7193518695079035
Energy: 1.877968716230777
Energy: 1.8230198126548731
Energy: 1.8004374450630602
Energy: 2.016542254807968
Energy: 1.7449511363107217
Energy: 1.7351333812164333
Energy: 1.698817876026908
Energy: 1.691794190016839
Energy: 1.6832990404438812
Energy: 1.7094401253933065
Energy: 1.9425849220693485
Energy: 1.7707703448706076
Energy: 1.892187453352005
Energy: 1.7715300363316
Energy: 1.6933577437899305
Energy: 1.6864461766226233
Energy: 1.7108549078468096
Energy: 1.6773607672888986
Energy: 1.7517701272057444
Energy: 1.8849048830285522
Energy: 1.9744528482671597
Energy: 1.9416007221609546
Energy: 2.102946861048439
Energy: 1.8495219425873561
Energy: 1.7987360698378962
Energy: 1.7866028496661646
Energy: 1.7139895774161378
Energy: 1.8872026951903178
Energy: 1.6917337661071743
Energy: 1.7034472051762835
Energy: 1.7127172928791516
Energy: 1.8222031027818504
Energy: 1.9496514185522411
Energy: 1.8273087806599435
Energy: 1.6990137535636403
Energy: 1.719653408130241
Energy: 1.8134225026204798
Energy: 1.7701369270554628
Energy: 1.714761684672557
Energy: 1.7191297041137101
Energy: 1.7123779753402675
Energy: 1.8067567906883826
Energy: 1.736629389972236
Energy: 1.7162454445342803
Energy: 1.9075199936554086
Energy: 1.7169997460393338
Energy: 1.7262570681596208
Energy: 1.7156142174781341
Energy: 1.775387990358132
Energy: 1.7234098094649288
Energy: 1.7401669195422647
Energy: 2.012087366362407
Energy: 1.9116749946485834
Energy: 1.8657996108198742
Energy: 1.989318601335266
Energy: 1.7064239926129918
Energy: 1.8133672769150813
Energy: 1.7955553211130164
Energy: 1.6882601851121517
Energy: 1.853409486074411
Energy: 1.7660274891034178
Energy: 1.822172662259715
Energy: 1.765244729397316
Energy: 1.6888474147434807
Energy: 1.7713236431121213
Energy: 1.9039473129502773
Energy: 1.7227849931047796
Energy: 1.7768031940012161
Energy: 1.7486769508146287
Energy: 1.7392817941365508
Energy: 1.7544942307201057
Energy: 1.7009417023714788
Energy: 1.8820363248612304
Energy: 1.7135198641942901
Energy: 1.8594228694261214
Energy: 1.9711670340466545
Energy: 1.8071588670714407
Energy: 1.8396927071156237
Energy: 2.063593295183191
Energy: 1.7773811790973224
Energy: 1.8324204378704279
Energy: 1.839270332794639
Energy: 1.833057486258126
Energy: 1.7290499773762902
Energy: 1.7897937594994815
Energy: 1.884436984232163
Energy: 1.7049955739512765
Energy: 1.9343910143049323
Energy: 1.724326970761663
Energy: 1.8464014600740706
Energy: 1.735003075062256
Energy: 1.7994065970079343
Energy: 1.8621478249956578
Energy: 1.7422876595303642
Energy: 1.8352514406151528
Energy: 1.7376643168151622
Energy: 2.0613234556531794
Energy: 1.928923081590462
Energy: 1.8211591671202774
Energy: 1.9527372977693518
Energy: 1.7348854783549432
Energy: 1.8191120525891271
Energy: 1.756641921025717
Energy: 1.7487726718539849
Energy: 1.735713281000778
Energy: 1.736745808704611
Energy: 1.7785166870176465
Energy: 1.7267340342687687
Energy: 2.0664733189277382
Energy: 1.8004910615215328
Energy: 1.8239201973944876
Energy: 1.7755018053506226
Energy: 1.7375244272078079
Energy: 1.8211212416991827
Energy: 1.8370670027728595
Energy: 1.8638604537257022
Energy: 1.8196969164377488
Energy: 1.9683476698890232
Energy: 1.7163687791253228
Energy: 1.7185893420220177
Energy: 1.971468828464168
Energy: 1.70046405182151
Energy: 1.6839358799576751
Energy: 1.769109585851154
Energy: 1.6912171695354004
Energy: 1.8226370763019895
Energy: 1.731423209841735
Energy: 1.7430124301753935
Energy: 1.9133766429356647
Energy: 1.730354594779773
Energy: 1.895917055369522
Energy: 1.8576021638318492
Energy: 1.694441335348981
Energy: 1.698618301928782
Energy: 1.819321756482922
Energy: 1.9830098157816378
Energy: 1.816505592773594
Energy: 1.9347834287998271
Energy: 1.98416821231476
Energy: 1.7031316594527965
Energy: 1.8286599415432627
Energy: 1.815140184962619
Energy: 1.7980247825243856
Energy: 1.802416418315182
Energy: 1.7864766577089781
Energy: 1.806854395134429
Energy: 1.8738419276858969
Energy: 1.7777477984544037
Energy: 1.7849509404045558
Energy: 1.8530594446844384
Energy: 1.8155449415336644
Energy: 1.8508927157181585
Energy: 1.8784821483435812
Energy: 1.9474954815473773
Energy: 1.7928681824627797
Energy: 1.6946368717629394
Energy: 1.7076991047291479
Energy: 2.001672706538863
Energy: 1.9397502342051878
Energy: 1.731084936922787
Energy: 1.7828470255324926
Energy: 1.692812082297547
Energy: 1.6869628786077395
Energy: 1.7105813775055667
Energy: 2.017456526839824
Energy: 1.743625770823918
Energy: 1.806283584613174
Energy: 1.6996521109604663
Energy: 1.6913881765246495
Energy: 1.6831271515100599
Energy: 1.7099510100616426
Energy: 1.677972555627835
Energy: 1.7230187336243872
Energy: 1.8845863303730586
Energy: 1.6797145626377954
Energy: 1.8553513843932725
Energy: 1.7060485068559557
Energy: 1.6946038722285395

minimum gb energy = 1.665945418421001 eV
minimum distance =  2.24607449941087 Angstroms
sigma value = 365


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

Energy: 1.7887007658376817
Energy: 1.545262466399298
Energy: 1.546940660295334
Energy: 1.5461615051559687
Energy: 1.5467246694007748
Energy: 1.547026465455035
Energy: 1.5458111095459097
Energy: 1.5680495308024567
Energy: 1.8649272125967287
Energy: 1.5435621438021372
Energy: 1.5445101324359984
Energy: 1.544642016811543
Energy: 1.5439681001275958
Energy: 1.8669448660519783
Energy: 1.7911630541759336
Energy: 1.8663212929010637
Energy: 1.543920331096815
Energy: 1.5433295693072313
Energy: 1.5431689630617187
Energy: 1.5439782217912674
Energy: 1.5450082847212225
Energy: 1.792925525553879
Energy: 1.8661627940752705
Energy: 1.5444853354823738
Energy: 1.5441888259470113
Energy: 1.5479051277918443
Energy: 1.5438850903089925
Energy: 1.5457231782315184
Energy: 1.5689417517480653
Energy: 1.864422878169078
Energy: 1.5683100062501503
Energy: 1.8666105985038595
Energy: 1.5437263213726924
Energy: 1.5671727281517838
Energy: 1.8652768614631356
Energy: 1.7895657564702594
Energy: 1.8657272293968148
Energy: 1.5449953528875613
Energy: 1.5467777969368677
Energy: 1.5469927170724649
Energy: 1.547004167523381
Energy: 1.5464202082031822
Energy: 1.5443689942236891
Energy: 1.8662358778969983
Energy: 1.5445636821869366
Energy: 1.5434881120638693
Energy: 1.5441528943243767
Energy: 1.5444671397746876
Energy: 1.8663021524119947
Energy: 1.5441982233243257
Energy: 1.8655376816488018
Energy: 1.5445609936709568
Energy: 1.5435941623033798
Energy: 1.5434520076142
Energy: 1.5444476754816423
Energy: 1.8671225894898273
Energy: 1.7909159246482818
Energy: 1.866101719593439
Energy: 1.5448150691185267
Energy: 1.5445900419107583
Energy: 1.546938625904656
Energy: 1.5445653427161332
Energy: 1.5457759548084278
Energy: 1.9814672546028997
Energy: 1.8668451656970493
Energy: 1.5654603087444376
Energy: 1.878948649080493
Energy: 1.8915554573949378
Energy: 1.5663602110921944
Energy: 1.8668627712408676
Energy: 1.792043233991773
Energy: 1.866201940264544
Energy: 1.5444624915669662
Energy: 1.5463194879705768
Energy: 1.547601672579877
Energy: 1.5449278195476643
Energy: 1.5446734835387117
Energy: 1.543009703280261
Energy: 1.8658128078358114
Energy: 1.5443258203687433
Energy: 1.5429451970832893
Energy: 1.5435762626833514
Energy: 1.544295014617657
Energy: 1.8668800511158254
Energy: 1.5437433105551563
Energy: 1.8660119973616323
Energy: 1.5439012947077522
Energy: 1.5441384226965214
Energy: 1.5441554376857154
Energy: 1.5446072673317148
Energy: 1.8663331814792237
Energy: 1.7890594856862905
Energy: 1.8657248936043969
Energy: 1.5455282306749987
Energy: 1.546100832580089
Energy: 1.5467676337050982
Energy: 1.5472437374264116
Energy: 1.5460001884752022
Energy: 1.7349778081736675
Energy: 1.8647461821197435
Energy: 1.5693224063500353
Energy: 1.544057942844357
Energy: 1.5443791281422052
Energy: 1.5450645525856888
Energy: 1.8653493399237493
Energy: 1.794149723135565
Energy: 1.8655536443439564
Energy: 1.5439846062659592
Energy: 1.5439074328375069
Energy: 1.543844143070546
Energy: 1.543629207402783
Energy: 1.5451462338447606
Energy: 1.7931030776306995
Energy: 1.8656142363308517
Energy: 1.5439541337205633
Energy: 1.5435668281061439
Energy: 1.5487859832519157
Energy: 1.543700967925491
Energy: 1.5450181061760333
Energy: 1.7352780352826436
Energy: 1.8647645129388752
Energy: 1.5440554487137323
Energy: 1.5443060914630613
Energy: 1.5444721161665356
Energy: 1.5435497416640318
Energy: 1.8673427407243766
Energy: 1.7888475883015569
Energy: 1.86597263170128
Energy: 1.5451653919793717
Energy: 1.5460047149582212
Energy: 1.5466711211478559
Energy: 1.5468635244775315
Energy: 1.5460934434250013
Energy: 1.7827644834122724
Energy: 1.866209193845315
Energy: 1.5437723707030053
Energy: 1.5440738290367386
Energy: 1.5446810291544653
Energy: 1.54429646721699
Energy: 1.8648863309456867

minimum gb energy = 1.5429451970832893 eV
minimum distance =  2.35995545455622 Angstroms
sigma value = 23