Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665045946836467
cohesive_energy=13.884706401845953
mass=55.845
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=[-3.74415861952728e-25, 1.3955278917466799e-18, 1.59811511623281e-18, 1.75087464740154e-18, 1.846508570685e-18, 1.90918572060708e-18, 1.95678638840322e-18, 1.9980905020277398e-18, 2.03566154409504e-18, 2.06948349283878e-18, 2.09902762996974e-18, 2.1241657813571998e-18, 2.14513827349626e-18, 2.16244178114346e-18, 2.1766691096533798e-18, 2.18831693378256e-18, 2.1978338629885198e-18, 2.2055563543643998e-18, 2.2117247344053e-18, 2.2165312643072997e-18, 2.2201041182011198e-18, 2.2225394266848e-18, 2.22394934212272e-18, 2.2243979515802397e-18, 2.2239333203563796e-18, 2.22242727432042e-18, 2.2197836828743197e-18, 2.21584232835468e-18, 2.2104429930981e-18, 2.20337739414216e-18, 2.1944692920571197e-18, 2.18341427328252e-18, 2.16992394602424e-18, 2.15361378789012e-18, 2.13408325472166e-18, 2.110867715295e-18, 2.08367877781602e-18, 2.0498888726049598e-18, 2.00233627010784e-18, 1.93764037762692e-18, 1.85121896998896e-18, 1.7351893381546797e-18, 1.575534038753214e-18, 1.349263439263296e-18, 1.023111546233184e-18, 5.522766944463359e-19, -1.212088280213484e-19, -1.074041537074776e-18, -2.4329693057943596e-18, -4.44477443980914e-18, -7.537984714708559e-18, -1.2396409117883819e-17, -2.02656118081392e-17, -3.40690043807028e-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: 0.05215124927484081
Energy: 0.053220271161960896
Energy: 2.0245662178990247
Energy: 0.05370989058490899
Energy: 0.05386894721161621
Energy: 2.023132930894644
Energy: 0.054225204241463
Energy: 0.05366586473090466
Energy: 0.25545153520599617
Energy: 0.469731916259374
Energy: 0.21476908058049235
Energy: 0.46938284548591686
Energy: 0.47014356747177977
Energy: 0.21498784435762736
Energy: 0.21437219400209148
Energy: 0.2569325917818942
Energy: 0.25465297142641424
Energy: 0.21525286389259662
Energy: 0.4695094063727649
Energy: 0.2553747324099183
Energy: 0.21470205783861485
Energy: 0.21501013655443307
Energy: 0.47039964006355717
Energy: 0.25653645108922135
Energy: 0.21459865305797385
Energy: 0.2157100455068365
Energy: 0.2558379805144382
Energy: 0.21537399076011846
Energy: 0.21362606731427633
Energy: 0.257265936665331
Energy: 0.47273027926082756
Energy: 0.21872893782904826
Energy: 0.4690531949740567
Energy: 0.25811008658883383
Energy: 0.21695833933084668
Energy: 0.05316903208206804
Energy: 0.2564739950301873
Energy: 0.46975235972825446
Energy: 0.05434395875525729
Energy: 0.0543401032748365
Energy: 0.4697411129338037
Energy: 0.21476586114951043

minimum gb energy = 0.05215124927484081 eV
minimum distance =  2.45127853480023 Angstroms
sigma value = 5


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

Energy: 2.774580493722087
Energy: 2.096515697658595
Energy: 2.56263798875795
Energy: 1.6595988800844368
Energy: 1.6597360517729658
Energy: 2.549469745200043
Energy: 2.096353702393275
Energy: 1.652451440310627
Energy: 1.7138201334285705
Energy: 1.740454713184052
Energy: 1.660988097791893
Energy: 1.6361629203699697
Energy: 1.7722444487243307
Energy: 1.6166222955150304
Energy: 1.567762175279156
Energy: 1.631773062868582
Energy: 1.6353757326185787
Energy: 1.6030172046736293
Energy: 1.6419757311286043
Energy: 1.6597661630477853
Energy: 1.6313501720854449
Energy: 1.5176123499899032
Energy: 1.6093085320833456
Energy: 1.6205812206408494
Energy: 1.5890606912891014
Energy: 1.6346611974610181
Energy: 1.6425685921574529
Energy: 1.6005440846374797
Energy: 1.5893989977101675
Energy: 1.601078254950558
Energy: 1.6301369642596448
Energy: 1.5960804095023542
Energy: 1.62878555740784
Energy: 1.649003609079222
Energy: 1.6087444430752085
Energy: 1.5799401199212748
Energy: 1.6254204159483747
Energy: 1.583856745363102
Energy: 1.6175433606242977
Energy: 1.6057885241403527
Energy: 1.595056095811265
Energy: 1.623001274288909
Energy: 1.5818407212487964
Energy: 1.6179855076460368
Energy: 1.5708581484294573
Energy: 1.6194231568590975
Energy: 1.6155816418778568
Energy: 1.5594219998884333
Energy: 1.608422386468169
Energy: 1.6169695583710182
Energy: 1.604060625483884
Energy: 1.6299732842755663
Energy: 1.689625376931653
Energy: 1.6504375979147092
Energy: 1.6147726687557626
Energy: 1.621787432908407
Energy: 1.7766767077271253
Energy: 1.67837468633055
Energy: 1.645262321478399
Energy: 1.7808363507350184
Energy: 1.723934994976236
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Energy: 1.7003018668681642
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Energy: 1.6700986481941438
Energy: 1.5955585866519506
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Energy: 1.7011487218066363
Energy: 1.577409157104032
Energy: 1.7030369771109035
Energy: 1.6900207587236808
Energy: 1.646695794831059
Energy: 1.6306462464555453
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Energy: 1.6494078207683085
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Energy: 1.6598869566048302
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Energy: 1.6202271555562506
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Energy: 1.741963353028887
Energy: 1.6953387569640876
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Energy: 1.6307762150185565
Energy: 1.716902420134689
Energy: 1.5678898373458752
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Energy: 1.686670461498315
Energy: 1.6673324546054369
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Energy: 1.6506340233716805
Energy: 1.658438573217993
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Energy: 1.4974981331864579
Energy: 1.5403419867988506
Energy: 1.5749758189776921
Energy: 1.577855323815047
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Energy: 1.5016308847645865
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Energy: 1.5651919197317758
Energy: 1.5942179475249463
Energy: 1.546369385298413
Energy: 1.5562801385350513
Energy: 1.5887890364433062
Energy: 1.6600400699293167
Energy: 1.5734432906171254
Energy: 1.689478146855109
Energy: 1.6593630171249858
Energy: 1.6671517716926896
Energy: 1.6454978956653252
Energy: 1.6460127477476323
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Energy: 1.6897525812404013
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Energy: 1.791520096403712
Energy: 1.7670189427091256
Energy: 1.588158713892394
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Energy: 1.6170395385187526
Energy: 1.6437621162012295
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Energy: 1.6423460558250844
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Energy: 1.5557940759695623
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Energy: 1.675335947998312
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Energy: 1.7647214716623454
Energy: 1.6910416295289863
Energy: 1.7251066944131344
Energy: 1.5031069633682905
Energy: 1.568714209590893
Energy: 1.596466930340209
Energy: 1.5368068120020828
Energy: 1.584523836461305
Energy: 1.5895131029142755
Energy: 1.555314159198867
Energy: 1.4842350853881914
Energy: 1.5310634618681793
Energy: 1.5609093154233997
Energy: 1.515645925546899
Energy: 1.5423797358328262
Energy: 1.56065005634885
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Energy: 1.5056136036596928
Energy: 1.5605241541657755
Energy: 1.5796653582638869
Energy: 1.535864530574991
Energy: 1.5706961626994755
Energy: 1.5975163666398187
Energy: 1.536174097242974
Energy: 1.7651858804620635
Energy: 1.7712708006648876
Energy: 1.7371280539515082
Energy: 1.710211341864971
Energy: 1.7191002741369927
Energy: 1.734462523888665
Energy: 1.7087221007066398
Energy: 1.9912471441675041
Energy: 1.6519639533708486
Energy: 1.7116866288864803
Energy: 1.8449713549640974
Energy: 1.8793343781842244
Energy: 1.7353387570015653
Energy: 1.7935013870156487
Energy: 1.6391051014439721
Energy: 1.6785900145531194
Energy: 1.7198120443730314
Energy: 1.7233875794206988
Energy: 1.7368039823038917
Energy: 1.7043039737324026
Energy: 1.7165646179830567
Energy: 1.7188819825425998
Energy: 1.7914380598846076
Energy: 1.7300348207442606
Energy: 1.6228084919085233
Energy: 1.723887244620297
Energy: 1.598506933476621
Energy: 1.705576131690435
Energy: 2.2408835126617928
Energy: 2.0495330028587695
Energy: 1.8649929372308287
Energy: 1.9613861546590683
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Energy: 1.8496607496431725
Energy: 2.206148635200024
Energy: 1.786327957531556
Energy: 1.756926336063941
Energy: 1.6769612749770701
Energy: 1.7242090452828536
Energy: 1.7199185429146866
Energy: 1.6511427416443938
Energy: 1.6990244241385288
Energy: 1.5283754600335702
Energy: 1.5531456924207439
Energy: 1.5214660237228186
Energy: 1.5705385261546514
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Energy: 1.588191672548723
Energy: 1.5549337464478534
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Energy: 1.5488377884881122
Energy: 1.6036435204399815
Energy: 1.6280588299665084
Energy: 1.634648235822121
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Energy: 1.6436587734661021
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Energy: 1.6416109157850627
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Energy: 1.659093314704917
Energy: 1.6476916336072767
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Energy: 1.795822097565219
Energy: 1.6602830213986466
Energy: 1.634791212369031
Energy: 1.7550940601089364
Energy: 1.7115943125742321
Energy: 1.7060235871545122
Energy: 1.648065162711799
Energy: 1.8737764968767274
Energy: 1.8074330710611066
Energy: 1.653314192824517
Energy: 1.8350816653951383
Energy: 1.7255161932764544
Energy: 1.7006752524396926
Energy: 1.6316541144749255
Energy: 1.7921377757880264
Energy: 1.7923829185400941
Energy: 1.63971616110969
Energy: 1.6268257556006596
Energy: 1.5984444650747187
Energy: 1.6451614723107182
Energy: 1.6374721311924618
Energy: 1.645096898473664
Energy: 1.5976370817057617
Energy: 1.656030209534218
Energy: 1.6404719100392688
Energy: 1.490694476456966
Energy: 1.538917278559451
Energy: 1.5890070185083054
Energy: 1.5509771723637444
Energy: 1.5425371473004703
Energy: 1.590881614740009
Energy: 1.5525376717539712
Energy: 1.5001325918655368
Energy: 1.5435386385727372
Energy: 1.5646595643754966
Energy: 1.5521920546337078
Energy: 1.5443735921377766
Energy: 1.5609101610382345
Energy: 1.5641493719951862
Energy: 1.671991256233559
Energy: 1.6562694606608022
Energy: 1.755788669918445
Energy: 1.6720770249496268
Energy: 1.6868799008134403
Energy: 1.695549092994425
Energy: 1.6415136893199056
Energy: 1.6081444339939963
Energy: 1.7347069214281277
Energy: 1.623739573121322
Energy: 1.5648151610952585
Energy: 1.704943278378013
Energy: 1.6352845933560274
Energy: 1.5846183257936848
Energy: 1.5492871934651118
Energy: 1.7244859278042686
Energy: 1.6416780247254132
Energy: 1.5877767129051445
Energy: 1.693071100004737
Energy: 1.6414384388520808
Energy: 1.6154480105012086
Energy: 1.7143278736796377
Energy: 1.6782932739279264
Energy: 1.767893743852794
Energy: 1.613178918957011
Energy: 1.7046639230957294
Energy: 1.797602242358238
Energy: 1.6425645612595599
Energy: 1.5660187974093263
Energy: 1.7264195961748228
Energy: 1.8118321767508503
Energy: 1.6016683459090877
Energy: 1.6000684990421234
Energy: 1.8197512748903206
Energy: 1.7029763776747355

minimum gb energy = 1.4842350853881914 eV
minimum distance =  2.26231780793129 Angstroms
sigma value = 401


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

Energy: 2.4644229382717326
Energy: 2.0917857954469543
Energy: 1.7768182542968793
Energy: 2.06252935742939
Energy: 2.047813254554813
Energy: 2.134786938786865
Energy: 2.102918903077735
Energy: 1.647953993183614
Energy: 1.6726186248478816
Energy: 1.891832512863454
Energy: 1.7001116738078803
Energy: 1.7067917355822124
Energy: 1.7338399151671875
Energy: 1.7282690639093654
Energy: 1.6265880288967953
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Energy: 1.8089208373647254
Energy: 1.6616030370674013
Energy: 1.6201680823832054
Energy: 1.8049201788001459
Energy: 1.7277148413447607
Energy: 1.662381634689751
Energy: 1.5553807417898342
Energy: 1.8286795650713392
Energy: 1.7111147060742324
Energy: 1.6355913432579718
Energy: 1.7238886606420905
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Energy: 1.6268959594252277
Energy: 1.674190316760957
Energy: 1.7791074604228003
Energy: 1.7074875948940695
Energy: 1.6249843387835805
Energy: 1.786554340770265
Energy: 1.7015486871980794
Energy: 1.7271352858516844
Energy: 1.8002790797103443
Energy: 1.644332340651578
Energy: 1.7152724314104837
Energy: 1.7721729113495401
Energy: 1.6201783306028033
Energy: 1.7048954312580253
Energy: 1.729976420589286
Energy: 1.7512372263777218
Energy: 1.6247596673955094
Energy: 1.706182400678696
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Energy: 1.6302849198846394
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Energy: 1.6099866077129055
Energy: 1.7224420151615893
Energy: 1.6458805227396107
Energy: 1.643500263608536
Energy: 1.6375956672415959
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Energy: 1.6771747696139225
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Energy: 1.5847333800024488
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Energy: 1.7035083785492922
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Energy: 1.6207607963943582
Energy: 1.5828479660899022
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Energy: 1.6179612925269018
Energy: 1.593532543115111
Energy: 1.587595423120296
Energy: 1.7117607281095146
Energy: 1.5852394930057288
Energy: 1.589808673105833
Energy: 1.7163286105726792
Energy: 1.5959097720642075
Energy: 1.6647303682211383
Energy: 1.5865399964571958
Energy: 1.9316442932802704
Energy: 1.6015135107613352
Energy: 1.589417084460899
Energy: 1.6109480746001894
Energy: 1.567003703438194
Energy: 1.6176034558275758
Energy: 1.6371791087015306
Energy: 1.7959826711100932
Energy: 1.6223989375956889
Energy: 1.6065207753023736
Energy: 1.8368494988685575
Energy: 1.6175524130615655
Energy: 1.5559253609982984
Energy: 1.601270935189154
Energy: 1.6823036262110227
Energy: 1.678787922650536
Energy: 1.5878887295245674
Energy: 1.6565570332770903
Energy: 1.7144969418057556
Energy: 1.6577061746174249
Energy: 1.6194737555625691
Energy: 1.675164777785027
Energy: 1.6915989065854684
Energy: 1.5597696458011487
Energy: 1.6781043277000514
Energy: 1.7072352936377353
Energy: 1.7879558848153905
Energy: 1.804599669073488
Energy: 1.677520945099595
Energy: 1.7497621823742766
Energy: 1.74752510980731
Energy: 1.6809024195059568
Energy: 1.7311761342971272
Energy: 1.7716982295131642
Energy: 1.6856007675006928
Energy: 1.6348363931221968
Energy: 1.7591241585264858
Energy: 1.7827487340994672
Energy: 1.6300901973831403
Energy: 1.750481247591697
Energy: 1.772415965047525
Energy: 1.6975345495104532
Energy: 1.669145876227298
Energy: 1.7899028814289366
Energy: 1.7802191632969007
Energy: 1.6411946317140824
Energy: 1.6907219851882405
Energy: 1.8297973606920535
Energy: 1.6155032351035332
Energy: 1.7091881321428428
Energy: 1.742289196420073
Energy: 1.7268666296869468
Energy: 1.7840767035459248
Energy: 1.6802302510915463
Energy: 1.8723779679644967
Energy: 2.154773250983969
Energy: 2.0927829005865832
Energy: 1.6875058632947793
Energy: 1.9890984479483689
Energy: 2.0883405619722386
Energy: 1.821862953527427
Energy: 1.9368420892879359
Energy: 1.740310590779581
Energy: 1.6900900245985848
Energy: 1.7586500781153858
Energy: 1.6225022425806224
Energy: 1.8900659850401045
Energy: 1.6728280290693711
Energy: 1.9463813957504934
Energy: 1.7825449644739495
Energy: 1.6552210121296507
Energy: 1.7695687580571324
Energy: 1.9414374832540955
Energy: 1.7607873421157645
Energy: 1.691666294241881
Energy: 1.9140192889831913
Energy: 1.81930260659684
Energy: 1.8471075116387798
Energy: 1.812574091463869
Energy: 1.9097236989063513
Energy: 1.8468204122400753
Energy: 1.73998204127451
Energy: 1.8941701064524095
Energy: 1.914312206594781
Energy: 1.786011000045846
Energy: 1.7466362173489975
Energy: 1.909867303240268
Energy: 1.765308303319152
Energy: 1.7005540504231158
Energy: 1.6444349935037736
Energy: 1.6234479209031984
Energy: 1.6205056512608385
Energy: 1.6654043065197368
Energy: 1.6409481659133391
Energy: 1.6794941852464653
Energy: 1.6495240435483822
Energy: 1.5823511099290566
Energy: 1.6035722975008635
Energy: 1.6060912951514692
Energy: 1.6216403035002624
Energy: 1.6191799764472066
Energy: 1.6029028692303036
Energy: 1.6044288135528146
Energy: 1.6193329026211944
Energy: 1.6412994796164602
Energy: 1.6212739646491041
Energy: 1.6469266909209632
Energy: 1.6195825957762864
Energy: 1.623371840987251
Energy: 1.6506828702307896
Energy: 1.663194881389834
Energy: 1.8879456002331252
Energy: 1.7403518465950256
Energy: 1.7061130486700695
Energy: 1.654670321308338
Energy: 1.7174415314043514
Energy: 1.767235140044427
Energy: 1.6455212357894071
Energy: 1.5697323281130893
Energy: 1.7517958325964793
Energy: 1.662589539686187
Energy: 1.8080936573651427
Energy: 1.7850507596050604
Energy: 1.6995949254382605
Energy: 1.6364527016056685
Energy: 1.6770359601963118
Energy: 2.0330754210421427
Energy: 1.674121281796956
Energy: 1.623242110585165
Energy: 1.954517023556067
Energy: 1.6972048982711683
Energy: 1.5805637704075814
Energy: 1.7138619890690352
Energy: 1.7769913873841698
Energy: 1.6024227514030187
Energy: 1.6323088956851561
Energy: 1.799630600388409
Energy: 1.7236817371869395

minimum gb energy = 1.5553807417898342 eV
minimum distance =  2.23191574579458 Angstroms
sigma value = 311


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

Energy: 1.8130602924652746
Energy: 1.7777224414217034
Energy: 1.6926265212597587
Energy: 1.9547388956679763
Energy: 1.919722148199581
Energy: 1.956485441685405
Energy: 1.731008361313879
Energy: 1.6512261571542528
Energy: 1.6930738669398202
Energy: 1.6381005801335902
Energy: 1.6131665587251003
Energy: 1.7013768687295148
Energy: 1.694108293157896
Energy: 1.6662105299539005
Energy: 1.6334539190815438
Energy: 1.6166887648585322
Energy: 1.6285265987487405
Energy: 1.6405253508986202
Energy: 1.6557687443240239
Energy: 1.6376163861763144
Energy: 1.6138346830295314
Energy: 1.5859530120049408
Energy: 1.624866810200325
Energy: 1.5975179675186477
Energy: 1.6002441052617777
Energy: 1.6108190686044108
Energy: 1.6277450855225775
Energy: 1.6093491946260978
Energy: 1.6920096421024224
Energy: 1.628623795594439
Energy: 1.6800993144336296
Energy: 1.6595544708070682
Energy: 1.682266034691006
Energy: 1.6862470897602255
Energy: 1.6508837832187064
Energy: 1.7080300755827735
Energy: 1.7366329416699426
Energy: 1.7535906328338633
Energy: 1.7092338045129507
Energy: 1.7165566143411413
Energy: 1.745749153730244
Energy: 1.6921371470897157
Energy: 1.6939649054454196
Energy: 1.7194552664756524
Energy: 1.7470093000019395
Energy: 1.7114064623477043
Energy: 1.7120149378895069
Energy: 1.7398976218393607
Energy: 1.7238640637194884
Energy: 1.7025908317684655
Energy: 1.7591396674514554
Energy: 1.7886511330490669
Energy: 1.7020570189145428
Energy: 1.7022992842750286
Energy: 1.7322511160098972
Energy: 1.6833400688225308
Energy: 1.7566064838914073
Energy: 1.7433944649949218
Energy: 1.783817604168248
Energy: 1.851243702369275
Energy: 1.8125506675381935
Energy: 1.8099930581885082
Energy: 1.8827564048892373
Energy: 1.7400539637954475
Energy: 1.7638693709671684
Energy: 1.7718404476540552
Energy: 1.8043652761167075
Energy: 1.7808364349188477
Energy: 1.8810057611214794
Energy: 1.8173010564348318
Energy: 1.6765305737248983
Energy: 1.7993908532630813
Energy: 1.8126308019386883
Energy: 1.7742807756867096
Energy: 1.7492076964536327
Energy: 1.7685659933749986
Energy: 1.7205943685147127
Energy: 1.69183982051998
Energy: 1.7053128319401312
Energy: 1.81101194294251
Energy: 1.702613172274106
Energy: 1.6826523668134845
Energy: 1.7591847863972543
Energy: 1.8006942372755605
Energy: 1.678844274237167
Energy: 1.7100461004947567
Energy: 1.7633266186459653
Energy: 1.7655220218297492
Energy: 1.6946161037782068
Energy: 1.7144648862671834
Energy: 1.7626980038866682
Energy: 1.6308826246297892
Energy: 1.6165016773483685
Energy: 1.615028653327275
Energy: 1.6234422240311184
Energy: 1.6523728414972383
Energy: 1.6050698324199786
Energy: 1.6191888670032495
Energy: 1.6585180723319295
Energy: 1.6086433317736994
Energy: 1.6329115701118184
Energy: 1.6529742199834816
Energy: 1.635457471974
Energy: 1.6250527549375662
Energy: 1.691446676297275
Energy: 1.6353495365445274
Energy: 1.595937954730864
Energy: 1.5898333674847673
Energy: 1.6437237006923155
Energy: 1.687490371146339
Energy: 1.6388082324525308
Energy: 1.66726765274678
Energy: 1.6758932819017793
Energy: 1.6592902077774325
Energy: 1.659786502759697
Energy: 1.6198864064100993
Energy: 1.6622930576617125
Energy: 1.6318923203180558
Energy: 1.6223549249776112
Energy: 1.7006119226392635
Energy: 1.7517474496471583
Energy: 1.7136851361355427
Energy: 1.7121348174292843
Energy: 1.745555839820156
Energy: 1.7111849932682142
Energy: 1.7139187296946463
Energy: 1.713853277989424
Energy: 1.7350618433063323
Energy: 1.713259819534185
Energy: 1.7114391586336533
Energy: 1.7551473450270638
Energy: 1.7206504627373407
Energy: 1.7156873293433836
Energy: 1.6362131193906087
Energy: 1.8004380676043785
Energy: 1.7351441811450228
Energy: 1.6258478849769662
Energy: 1.737722863757905
Energy: 1.701219062284492
Energy: 1.7287619394922433
Energy: 1.767259880056409
Energy: 1.775587116141611
Energy: 1.7655968090004812
Energy: 1.7904826572994443
Energy: 1.7658384408631536
Energy: 1.7488084949473877
Energy: 1.7482612745484976
Energy: 1.7192843638137096
Energy: 1.8015495529460475
Energy: 1.8451884886539982
Energy: 1.65503690758897
Energy: 1.82184594396453
Energy: 1.9057132322674113
Energy: 1.8371173827335952
Energy: 1.6970631424091671
Energy: 1.7990364791720646
Energy: 1.799938316862214
Energy: 1.7544784316937678
Energy: 1.7685047163892456
Energy: 1.7098812786989663
Energy: 1.7234564824960017
Energy: 1.7148351315587176
Energy: 1.7974447965547617
Energy: 1.708391857242056
Energy: 1.6885681044895757
Energy: 1.755552224885118
Energy: 1.7558976464361664
Energy: 1.72832860214513
Energy: 1.6935249150755654
Energy: 1.7609536588112158
Energy: 1.7654733162686054
Energy: 1.693877281815689
Energy: 1.7636718278782613
Energy: 1.7557687055645492
Energy: 1.6888065907785945
Energy: 1.6130757540623561
Energy: 1.6120246804776355
Energy: 1.6156707440756037
Energy: 1.6383117781928005
Energy: 1.6034211869574886
Energy: 1.6296635732076663
Energy: 1.6324329734904206
Energy: 1.6146002335986478
Energy: 1.6206066472104093
Energy: 1.6603775207241849
Energy: 1.6387383899842345
Energy: 1.6496984741704528
Energy: 1.6879731050854283
Energy: 1.6927780847388312
Energy: 1.6087248479068486
Energy: 1.6132324049374518
Energy: 1.663413511621192
Energy: 1.6174337747726908
Energy: 1.5891741249308478
Energy: 1.6413297139554992
Energy: 1.6854050652667667
Energy: 1.6661687443576414
Energy: 1.7148075553625097
Energy: 1.7135849220231316
Energy: 1.7298842817781257
Energy: 1.6997315734229148
Energy: 1.6893051058180604
Energy: 1.711421222867917
Energy: 1.7078429499281802
Energy: 1.7159675659823819
Energy: 1.72891899293814
Energy: 1.758879436507523
Energy: 1.7207609689726564
Energy: 1.6831676096957535
Energy: 1.707345336339471
Energy: 1.6973187241984633
Energy: 1.6974021575480487
Energy: 1.724091689712043
Energy: 1.758762532662307
Energy: 1.7295066679937943
Energy: 1.7379999309331893
Energy: 1.7195675156278771
Energy: 1.6990062226126859
Energy: 1.768822768251235
Energy: 1.6158259602044667
Energy: 1.6833715094486674
Energy: 1.6693827539649524
Energy: 1.7614427569605853
Energy: 1.664007245377522
Energy: 1.8066990113978254
Energy: 1.7666305408270109
Energy: 1.82429165507166
Energy: 1.802317576745658
Energy: 1.879145325687797
Energy: 1.8154975409849203
Energy: 1.7025335309847416
Energy: 1.7458657326070126
Energy: 1.7707238971355161
Energy: 1.7715858365766592
Energy: 1.6679706557099443
Energy: 1.737634839011028
Energy: 1.7246813883520116
Energy: 1.7650773930461174
Energy: 1.7327438277302265
Energy: 1.7116457721303788
Energy: 1.7668474038449105
Energy: 1.7601811006365427
Energy: 1.7080382501382423
Energy: 1.7428191498123538
Energy: 1.7572097035521606
Energy: 1.7272525911980336
Energy: 1.7132006042524823
Energy: 1.6861374790741008
Energy: 1.750738936084473
Energy: 1.7496443202437015
Energy: 1.6869085616745492
Energy: 1.7734084938693915

minimum gb energy = 1.5859530120049408 eV
minimum distance =  2.22824428735895 Angstroms
sigma value = 39


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

Energy: 1.7998558320267013
Energy: 1.82458844407274
Energy: 1.861545902393556
Energy: 1.8980717073881117
Energy: 1.9004664957700188
Energy: 1.7915285563397179
Energy: 1.7997082204078583
Energy: 1.6806334485910226
Energy: 1.6241924834498607
Energy: 1.721031142057486
Energy: 1.652244778622733
Energy: 1.647774899874229
Energy: 1.5261341471676702
Energy: 1.678258873847401
Energy: 1.6684402101794307
Energy: 1.5890786029719142
Energy: 1.5862136328328578
Energy: 1.67437162469017
Energy: 1.6405379258097263
Energy: 1.5963761974124462
Energy: 1.7095578660817383
Energy: 1.7601977459523221
Energy: 1.575801186118116
Energy: 1.6663622703529428
Energy: 1.75398964251889
Energy: 1.6041931363368276
Energy: 1.462896785062949
Energy: 1.741188586635486
Energy: 1.6153999172902194
Energy: 1.5043791574239576
Energy: 1.5737624448785328
Energy: 1.6567986032112973
Energy: 1.8068651027401457
Energy: 1.5891849606853192
Energy: 1.5725115386873068
Energy: 1.5908048656102236
Energy: 1.6000901720068006
Energy: 1.52911384434047
Energy: 1.615233855827518
Energy: 1.6007947517854355
Energy: 1.5312794914023373
Energy: 1.6089110996425833
Energy: 1.6055677358534868
Energy: 1.5713455237699083
Energy: 1.521628458477725
Energy: 1.6556299290438123
Energy: 1.557425272655686
Energy: 1.5269379045809173
Energy: 1.6358858546393766
Energy: 1.5770806641354203
Energy: 1.5844396499178424
Energy: 1.5838698563958957
Energy: 1.6592296663794186
Energy: 1.5864094207823178
Energy: 1.581959979702456
Energy: 1.6841862163287054
Energy: 1.6524084391455638
Energy: 1.6564593611652039
Energy: 1.819493760217099
Energy: 1.6760009261353732
Energy: 1.6796458077569134
Energy: 1.8214531967530683
Energy: 1.6893092641300995
Energy: 1.749569119106724
Energy: 1.6998823914807883
Energy: 1.7866751304369657
Energy: 1.6991828196593335
Energy: 1.710778094519364
Energy: 1.7885558754362656
Energy: 1.6982505689305423
Energy: 1.586199918946103
Energy: 1.6450206041573372
Energy: 1.5757106267426666
Energy: 1.6891018450318176
Energy: 1.635635109426618
Energy: 1.6039731414398013
Energy: 1.6721302575834773
Energy: 1.7033584975854945
Energy: 1.5918155564723095
Energy: 1.6418210933268085
Energy: 1.639417730615966
Energy: 1.5872282403019005
Energy: 1.6734631922691532
Energy: 1.7158844924622974
Energy: 1.7149103613732415
Energy: 1.6584575887510322
Energy: 1.974589611947201
Energy: 1.863086988930059
Energy: 1.6228330596214489
Energy: 1.543207423331092
Energy: 1.9191433357416339
Energy: 1.6705699259303894
Energy: 1.6342469052893824
Energy: 1.648788677631563
Energy: 1.6723320555636545
Energy: 1.6226004608388673
Energy: 1.6692267442689221
Energy: 1.6974909672899845
Energy: 1.7512109978009702
Energy: 1.6915097212442116
Energy: 1.8462501517040966
Energy: 1.6516278206169401
Energy: 1.7198624396366802
Energy: 1.7813391109375838
Energy: 1.703827422685747
Energy: 1.7991362126625419
Energy: 1.707172374968673
Energy: 1.7653880492983913
Energy: 1.8559709655862242
Energy: 1.8554757467552334
Energy: 1.7933393019072945
Energy: 1.8567213063888928
Energy: 1.6459750364315369
Energy: 1.6239639499147893
Energy: 1.7217474749101753
Energy: 1.6525396698379577
Energy: 1.6472711205212824
Energy: 1.525327851503568
Energy: 1.6780449962614556
Energy: 1.6835791608741373
Energy: 1.590939334258502
Energy: 1.5868213159253401
Energy: 1.6756968273478952
Energy: 1.621208441457821
Energy: 1.5960932497478815
Energy: 1.7098416606867382
Energy: 1.7665214924271182
Energy: 1.5772790437149324
Energy: 1.666085372762249
Energy: 1.7494566630069925
Energy: 1.599916330284828
Energy: 1.462158493307026
Energy: 1.7425966421312122
Energy: 1.6142572941747386
Energy: 1.5940161874792729
Energy: 1.551421671100643
Energy: 1.674831069166626
Energy: 1.745565367969073
Energy: 1.587641942199247
Energy: 1.5482087243384168
Energy: 1.5905701226468523
Energy: 1.600387393247905
Energy: 1.5272713362509622
Energy: 1.6155398093138649
Energy: 1.6009035977208257
Energy: 1.5308061168267
Energy: 1.6089258758945233
Energy: 1.6058062261018673
Energy: 1.5721039531683354
Energy: 1.521517737522594
Energy: 1.655908010821351
Energy: 1.5575636450371952
Energy: 1.5358013744595753
Energy: 1.635645477604682
Energy: 1.5769140946673343
Energy: 1.5837759459113092
Energy: 1.5838674652411624
Energy: 1.6595819844520734
Energy: 1.5855260103041502
Energy: 1.581812856591786
Energy: 1.681954010054427
Energy: 1.6535797768921392
Energy: 1.656260465771133
Energy: 1.8191912039154647
Energy: 1.6770493039794814
Energy: 1.6904194591879278
Energy: 1.8164103899484814
Energy: 1.6940539453385632
Energy: 1.7398356355736109
Energy: 1.704475254597749
Energy: 1.846119782685119
Energy: 1.6887239419558164
Energy: 1.7117299719577233
Energy: 1.787479924639109
Energy: 1.6980079988517627
Energy: 1.586021250002064
Energy: 1.645472794831672
Energy: 1.5644702705650175
Energy: 1.669151228694988
Energy: 1.6362221379106925
Energy: 1.6059711306248659
Energy: 1.6737752305004
Energy: 1.6974065684739301
Energy: 1.6308114416967752
Energy: 1.6401064023977912
Energy: 1.6388202836834682
Energy: 1.6021170836418523
Energy: 1.6751875735618205
Energy: 1.8602591823558918
Energy: 1.714595660452922
Energy: 1.656678499959329
Energy: 1.953384101749474
Energy: 1.8639226061738403
Energy: 1.6230718801985888
Energy: 1.5440748503131903
Energy: 1.9313107628931774
Energy: 1.6701531403355665
Energy: 1.633905203288991
Energy: 1.6494700543791423
Energy: 1.6708138383137212
Energy: 1.621793269238182
Energy: 1.6537456884064188
Energy: 1.697089830018611
Energy: 1.752728646440962
Energy: 1.6904371911502738
Energy: 1.848507758208895
Energy: 1.6537089626736703
Energy: 1.7202446052917835
Energy: 1.7815300518811261
Energy: 1.7041909996176323

minimum gb energy = 1.462158493307026 eV
minimum distance =  2.26045263560568 Angstroms
sigma value = 21


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

Energy: 2.0663590155548976
Energy: 1.4976855060378975
Energy: 1.533030304150203
Energy: 1.6472294866268296
Energy: 1.4977022064583285
Energy: 1.5065887474977968
Energy: 1.4979176523863498
Energy: 1.569311156564649
Energy: 1.452428058226729
Energy: 1.4601634865042814
Energy: 1.5492002959420201
Energy: 1.4737341317743577
Energy: 1.4598931536515505
Energy: 1.526027736357671
Energy: 1.5971321249439994
Energy: 1.4316396654242989
Energy: 1.4734710634460597
Energy: 1.5424027050426987
Energy: 1.4617362474651034
Energy: 1.4437245691321052
Energy: 1.5196513257272122
Energy: 1.5812098333057154
Energy: 1.5377075843870687
Energy: 1.4264248976982687
Energy: 1.5728939822895014
Energy: 1.5078164878096307
Energy: 1.3737871498935441
Energy: 1.5727191786104022
Energy: 1.39576747733491
Energy: 1.5046839959389382
Energy: 1.4733498786396477
Energy: 1.494729058594809
Energy: 1.4132538579613179
Energy: 1.3740585830276453
Energy: 1.4890067728835865
Energy: 1.3960884347308595
Energy: 1.458121046758802
Energy: 1.459694827623573
Energy: 1.440686373499349
Energy: 1.4541348091383657
Energy: 1.4478336196377632
Energy: 1.4551975971627824
Energy: 1.3983865178283996
Energy: 1.3984373548535112
Energy: 1.3723181770614892
Energy: 1.4668637799685467
Energy: 1.401651903140446
Energy: 1.4372245924531872
Energy: 1.4171920981418742
Energy: 1.398262746266934
Energy: 1.3948943092501622
Energy: 1.4674428399920256
Energy: 1.4026823840082867
Energy: 1.3976896428164483
Energy: 1.4885436520123503
Energy: 1.3970649412771894
Energy: 1.3779186621889872
Energy: 1.3705684799814224
Energy: 1.5061412463006758
Energy: 1.3948061917615997
Energy: 1.3652301553738235
Energy: 1.5047854246034793
Energy: 1.4155217788566912
Energy: 1.3614034437194538
Energy: 1.362821943725298
Energy: 1.4710808347600222
Energy: 1.3499572516437608
Energy: 1.343812307069323
Energy: 1.4633760667474411
Energy: 1.363019890471634
Energy: 1.445143495598241
Energy: 1.4123453323829873
Energy: 1.4572376689337148
Energy: 1.4056831154404974
Energy: 1.4086503830381476
Energy: 1.4583206407200446
Energy: 1.386007280744682
Energy: 1.38661715433177
Energy: 1.4404810223081446
Energy: 1.4245698659952182
Energy: 1.3972098374950448
Energy: 1.4614464724710825
Energy: 1.4116347673170238
Energy: 1.40113295524279
Energy: 1.3679877821488275
Energy: 1.4662562768634426
Energy: 1.333203591847355
Energy: 1.3726230410889073
Energy: 1.4732623566154415
Energy: 1.34278454856999
Energy: 1.3649963322375227
Energy: 1.4222598025455186
Energy: 1.43287505247418
Energy: 1.3499839627700188
Energy: 1.4519542279607536
Energy: 1.4527623050984853
Energy: 1.3467699191622402
Energy: 1.3935933271711332
Energy: 1.4661202425355695
Energy: 1.5247684050504242
Energy: 1.3872545138837782
Energy: 1.371188595866749
Energy: 1.4605443220724512
Energy: 1.4582891122819188
Energy: 1.4036682250097423
Energy: 1.6836617192105081
Energy: 1.4265858262396542
Energy: 1.4035127636625178
Energy: 1.442706984747126
Energy: 1.4326362363344232
Energy: 1.400101979408551
Energy: 1.4544265232040645
Energy: 1.475739154459573
Energy: 1.421606156189576
Energy: 1.3851405523208695
Energy: 1.4422395097550729
Energy: 1.4390473023918666
Energy: 1.3831325989801226
Energy: 1.4553344105752601
Energy: 1.4895114969235026
Energy: 1.454448444691199
Energy: 1.4543157848127117
Energy: 1.4533084533526603
Energy: 1.476895117207937
Energy: 1.4248274540884904
Energy: 1.431563098911161
Energy: 1.497494147244814
Energy: 1.3746588440791654
Energy: 1.4783352318589005
Energy: 1.5959629084014566
Energy: 1.3745522973195987
Energy: 1.526023574342509
Energy: 1.5210884902734594
Energy: 1.4958916072415944
Energy: 1.538490783709244
Energy: 1.5306623712850032
Energy: 1.5858349811032992
Energy: 1.5306171441311494
Energy: 1.4175767789816671
Energy: 1.532089957912814
Energy: 1.470860007047659
Energy: 1.4653805165175444
Energy: 1.4725026765870126
Energy: 1.5286352599932567
Energy: 1.491830961168321
Energy: 1.449528246992214
Energy: 1.5508611951408555
Energy: 1.6368033837623472
Energy: 1.5051000746955936
Energy: 1.5564982980228246
Energy: 1.664820296689034
Energy: 1.5739158396021882
Energy: 1.5487489355937198
Energy: 1.5584939251477035
Energy: 1.5708245798493183
Energy: 1.496205640901488
Energy: 1.5565466865452373
Energy: 1.6108243429518867
Energy: 1.504507247077565
Energy: 1.381429481664187
Energy: 1.556179110232415
Energy: 1.5754614815045713
Energy: 1.4694263737236224
Energy: 1.4437024272391523
Energy: 1.5290426042017404
Energy: 1.4890376495247717
Energy: 1.459094757956445
Energy: 1.5294096999970905
Energy: 1.568872931254445
Energy: 1.5750526037689903
Energy: 1.5239807777589138
Energy: 1.5556224630538291
Energy: 1.554315288078542
Energy: 1.4557513501217796
Energy: 1.5605270402553713

minimum gb energy = 1.333203591847355 eV
minimum distance =  2.25446596477471 Angstroms
sigma value = 113


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

Energy: 2.0940198604886615
Energy: 1.6049278817692818
Energy: 1.3603717040479084
Energy: 1.455368285973451
Energy: 1.4548492013478778
Energy: 1.3706523665409442
Energy: 1.2960490083046297
Energy: 1.458355299280561
Energy: 1.3168992771094254
Energy: 1.34266912559759
Energy: 1.3717438108066593
Energy: 1.3644785578521474
Energy: 1.3152779607261167
Energy: 1.400640923818959
Energy: 1.4298408618190932
Energy: 1.3183634989099995
Energy: 1.3304014369032005
Energy: 1.3720077494643368
Energy: 1.3162641596778935
Energy: 1.3555381637036878
Energy: 1.3689808139991528
Energy: 1.4572834873681866
Energy: 1.3380700432479014
Energy: 1.3270501937586046
Energy: 1.4694679637742987
Energy: 1.2897302005082594
Energy: 1.326184287703942
Energy: 1.3701101985769615
Energy: 1.2749032631822799
Energy: 1.3080993553320697
Energy: 1.3601683131658826
Energy: 1.3306527938860881
Energy: 1.3335412025692017
Energy: 1.3424652230767289
Energy: 1.3517093436466128
Energy: 1.2699592572608134
Energy: 1.2677462438475264
Energy: 1.294591182963743
Energy: 1.2750141451028845
Energy: 1.2589877919858796
Energy: 1.2837266953777557
Energy: 1.292859690306985
Energy: 1.2930645201296447
Energy: 1.442931454243384
Energy: 1.310342973088512
Energy: 1.2829747452766254
Energy: 1.2995346800519412
Energy: 1.3038757430755248
Energy: 1.3188212194855762
Energy: 1.3230006921976563
Energy: 1.4310334960450324
Energy: 1.3526797614117567
Energy: 1.2967425779974422
Energy: 1.3091645613959657
Energy: 1.335176498086956
Energy: 1.2944227150925562
Energy: 1.2889210139790925
Energy: 1.2814389495944498
Energy: 1.3180124029321751
Energy: 1.278299212940754
Energy: 1.2555228937649532
Energy: 1.3070452552220162
Energy: 1.2578867254397441
Energy: 1.297011550166984
Energy: 1.2383461954808488
Energy: 1.2615178184810503
Energy: 1.2725202546341787
Energy: 1.2763382267353933
Energy: 1.2855379902310005
Energy: 1.2301979742190692
Energy: 1.3147476197868
Energy: 1.2841342272145535
Energy: 1.2860342532942899
Energy: 1.250026731348068
Energy: 1.250894615289807
Energy: 1.2868820595260972
Energy: 1.2288917266747563
Energy: 1.2687551549846952
Energy: 1.2660242983488035
Energy: 1.2086289824189376
Energy: 1.234586240146913
Energy: 1.249372878129081
Energy: 1.2327450144675927
Energy: 1.241354039249395
Energy: 1.2403532518357954
Energy: 1.2875446066879106
Energy: 1.163080414447048
Energy: 1.2035929666125886
Energy: 1.2758033972172127
Energy: 1.171893516178387
Energy: 1.2405869794243605
Energy: 1.218887360633705
Energy: 1.2612909461941366
Energy: 1.18048929630185
Energy: 1.2465803889257703
Energy: 1.3077618001703972
Energy: 1.161782326625367
Energy: 1.2474221836686934
Energy: 1.2530190138246786
Energy: 1.2360990659657043
Energy: 1.1959159345210113
Energy: 1.2260819241303063
Energy: 1.2172209568984453
Energy: 1.1926439942694413
Energy: 1.2214156243928207
Energy: 1.1836195099834548
Energy: 1.188564709067632
Energy: 1.2037456758783154
Energy: 1.2066493953909059
Energy: 1.1598030173991039
Energy: 1.2693119132996655
Energy: 1.2203506200157075
Energy: 1.2179039286599553
Energy: 1.1896597084811018
Energy: 1.1977068078680435
Energy: 1.2203053271647168
Energy: 1.194122129893496
Energy: 1.1859349337318061
Energy: 1.2241480569580767
Energy: 1.2134011593232938
Energy: 1.2282544762775987
Energy: 1.2643871642547628
Energy: 1.218871806175948
Energy: 1.1820389045073036
Energy: 1.2604000614712285
Energy: 1.24070213594561
Energy: 1.2603257385909235
Energy: 1.2548895237303486
Energy: 1.239451551976212
Energy: 1.2127720548072531
Energy: 1.2478258219645775
Energy: 1.2437703048844646
Energy: 1.2115657911802067
Energy: 1.1561193562432768
Energy: 1.1516516430247763
Energy: 1.2393275512234267
Energy: 1.183246858842616
Energy: 1.149452870408971
Energy: 1.2379659670681888
Energy: 1.1687797233885246
Energy: 1.2357868546619124
Energy: 1.1988013122389627
Energy: 1.2277447373980315
Energy: 1.2004380915037405
Energy: 1.2001741210669379
Energy: 1.2151536969705121
Energy: 1.200748402370463
Energy: 1.2267451933138287
Energy: 1.2365720907356927
Energy: 1.2402431940101946
Energy: 1.1902357872863192
Energy: 1.220712577917717
Energy: 1.2175948434797963
Energy: 1.1970338969840804
Energy: 1.2285454034988705
Energy: 1.2368178247085237
Energy: 1.1498565087406363
Energy: 1.182107361554809
Energy: 1.2370595852697441
Energy: 1.1656675183763707
Energy: 1.1751002647664475
Energy: 1.2266452568919068
Energy: 1.2827576510396448
Energy: 1.2465852680774872
Energy: 1.2082550207622909
Energy: 1.2183248411388021
Energy: 1.1839478330563895
Energy: 1.212425849722518
Energy: 1.29277655105022
Energy: 1.2606675884814662
Energy: 1.1837037631901972
Energy: 1.2200384170388867
Energy: 1.2369432587211
Energy: 1.183265941631258
Energy: 1.219079739404061
Energy: 1.1972887656492879
Energy: 1.227594561633856
Energy: 1.1943376337889546
Energy: 1.2068823968657463
Energy: 1.2312992601409845
Energy: 1.1947352418783916
Energy: 1.2141029373863064
Energy: 1.2044153638590906
Energy: 1.2264620449751495
Energy: 1.1640038531678354
Energy: 1.220964591254094
Energy: 1.2024152958432246
Energy: 1.1890095020008034
Energy: 1.2106604237495833
Energy: 1.265238648932637
Energy: 1.2372675473110493
Energy: 1.2410699690059217
Energy: 1.2671072400298056
Energy: 1.1984118329692042
Energy: 1.2310539877854658
Energy: 1.2367559979553626
Energy: 1.1908330848423272
Energy: 1.1826146423290376
Energy: 1.2528985434209776
Energy: 1.2460554117843827
Energy: 1.1817897600244331
Energy: 1.3236926075131215
Energy: 1.2451034480195111
Energy: 1.2306947184891415
Energy: 1.176884183459189
Energy: 1.2463680170298217
Energy: 1.2028847135479108
Energy: 1.1620760425335606
Energy: 1.263733883819217
Energy: 1.2204800082330771
Energy: 1.2717381250591504
Energy: 1.2472948977796656
Energy: 1.2605401360578388
Energy: 1.2388545242112836
Energy: 1.2354686701766395
Energy: 1.2551746956883516
Energy: 1.2437842823527743
Energy: 1.247143564468448
Energy: 1.2695335985054583
Energy: 1.24875672514068
Energy: 1.2452047229396825
Energy: 1.2895906332289395
Energy: 1.2629602794263892
Energy: 1.2678959963221863
Energy: 1.2992101047264584
Energy: 1.2865230723838503
Energy: 1.2412144434282995
Energy: 1.2531029135679557
Energy: 1.2847312445581152
Energy: 1.2500431645260557
Energy: 1.3083884612324153
Energy: 1.3299807473571026
Energy: 1.3085611488550644
Energy: 1.2440010612238277
Energy: 1.2513528252200472
Energy: 1.3029360499364147
Energy: 1.2646364279704398
Energy: 1.2646441612583472
Energy: 1.3350129169452802
Energy: 1.296347832671505
Energy: 1.3050727177216095
Energy: 1.268960109060445
Energy: 1.3257786543985488
Energy: 1.303069788261878
Energy: 1.2637620557619103
Energy: 1.2982356996842732
Energy: 1.3023956079059265
Energy: 1.2962109760041363
Energy: 1.2374218453439325
Energy: 1.3783318645029021
Energy: 1.3045613561255387
Energy: 1.287622682600323
Energy: 1.3360374097063576
Energy: 1.2802145766963144
Energy: 1.2970475423922307
Energy: 1.2903204618054762
Energy: 1.3202371366363987
Energy: 1.3060850558900174
Energy: 1.3112246784565194
Energy: 1.3835227771144756
Energy: 1.329047114094152
Energy: 1.278331768605696
Energy: 1.3396814261447323
Energy: 1.3327768116024261
Energy: 1.3193704311003795
Energy: 1.34143745001467
Energy: 1.3809195327915489
Energy: 1.4655534253695985
Energy: 1.4773808477006167
Energy: 1.3352308208450847
Energy: 1.3276496224915573
Energy: 1.3140361667775693
Energy: 1.468113624978541
Energy: 1.3425524592428995
Energy: 1.3198116915437224
Energy: 1.3195290926481231
Energy: 1.3581914942575346
Energy: 1.3257487358481506
Energy: 1.293675364892706
Energy: 1.3543662621097425
Energy: 1.4200074189677248
Energy: 1.3365117798599426
Energy: 1.41191027658541
Energy: 1.4053458559341014
Energy: 1.3084686109399226
Energy: 1.3310770838014283
Energy: 1.432877363160616
Energy: 1.2699040083538518
Energy: 1.4457068196336442
Energy: 1.3605429656416883
Energy: 1.4964258617773787
Energy: 1.282737322120117
Energy: 1.3611894621059195
Energy: 1.416005262359726
Energy: 1.4279318724483576
Energy: 1.3195831534271185
Energy: 1.3615550266494203
Energy: 1.3955430664399804
Energy: 1.336425896628466
Energy: 1.360948459533583
Energy: 1.403758366353859
Energy: 1.3962858608840112
Energy: 1.3211468168719915
Energy: 1.345878804874912
Energy: 1.403841749880367
Energy: 1.3314622618138523
Energy: 1.31776893462665
Energy: 1.402531504860675
Energy: 1.4155771947930689
Energy: 1.405937212399401
Energy: 1.2831030878522474
Energy: 1.3761458028806826
Energy: 1.361231019093398
Energy: 1.317011356746388
Energy: 1.496308421283763

minimum gb energy = 1.149452870408971 eV
minimum distance =  2.27567245386079 Angstroms
sigma value = 365


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

Energy: 1.5525962894197158
Energy: 1.5265117378935664
Energy: 1.4813105161824442
Energy: 1.4785458299361227
Energy: 1.4778747155032643
Energy: 1.4797479691415256
Energy: 1.4843076820670622
Energy: 1.4410422098283189
Energy: 0.45976457678051497
Energy: 0.4609968571430686
Energy: 0.4631062543850637
Energy: 0.4608497691761216
Energy: 0.4621044110086407
Energy: 0.4663940725334016
Energy: 0.47664568518642697
Energy: 0.45979249635391084
Energy: 0.4593825123515212
Energy: 0.4593651003074961
Energy: 0.4591354868073833
Energy: 0.4590595897412078
Energy: 0.4591435832768876
Energy: 1.4425202367237353
Energy: 1.450768826633765
Energy: 1.4506206136690523
Energy: 1.4554644478552694
Energy: 1.46704585462661
Energy: 1.4502916938363115
Energy: 1.489172813566267
Energy: 1.4428537690541496
Energy: 1.4425832536670844
Energy: 1.5013201806798926
Energy: 1.453828449983169
Energy: 1.5275009031895301
Energy: 1.5014280405422604
Energy: 1.5011019692373069
Energy: 0.47765892003708516
Energy: 0.459527891284475
Energy: 0.4591101589560418
Energy: 0.4592073045016052
Energy: 0.45898057092616
Energy: 0.4588925005819787
Energy: 0.4590001998811862
Energy: 1.4439378536928804
Energy: 1.500858378153518
Energy: 1.4485818804204993
Energy: 1.4484476972872373
Energy: 1.5070874259384452
Energy: 1.504993634643701
Energy: 1.5018695721422777
Energy: 1.4433315361484622
Energy: 1.5043933566297982
Energy: 1.4935563119624153
Energy: 1.5050091191271495
Energy: 1.4423819638555104
Energy: 1.4472547275461702
Energy: 1.5017786562208235
Energy: 0.4775010754733554
Energy: 0.45935946897195246
Energy: 0.45898716643610793
Energy: 0.4591661208510265
Energy: 0.45955333901165973
Energy: 0.4592345633362663
Energy: 0.45927823454994027
Energy: 1.444110988384391
Energy: 1.443912279174248
Energy: 1.5008739603019723
Energy: 1.5047410346224752
Energy: 1.5030003470381694
Energy: 1.5024629855573308
Energy: 1.4421158920755799
Energy: 1.4423538483183194
Energy: 1.4407246012543806
Energy: 1.4491948936089616
Energy: 1.4554441230650688
Energy: 1.46518929330425
Energy: 1.450074188892552
Energy: 1.448905404074585
Energy: 0.47652533235230243
Energy: 0.45965737511871874
Energy: 0.4591646261521826
Energy: 0.4596582909236005
Energy: 0.45874161628451166
Energy: 0.459545335090707
Energy: 0.45942248353931997
Energy: 0.47656691239046617
Energy: 0.4598623940328687
Energy: 0.4660160969347275
Energy: 0.460912478410859
Energy: 0.4632985736329224
Energy: 0.4611161321188984
Energy: 0.45986014034436107
Energy: 1.4421929004409202
Energy: 1.4390245550697083
Energy: 1.4466233927810086
Energy: 1.4519925448040736
Energy: 1.4454681326813648
Energy: 1.44806700400457
Energy: 1.4472323537041076
Energy: 1.4401930303049877
Energy: 1.4445014617459726
Energy: 1.4435902987861353
Energy: 0.46151696632732736
Energy: 0.46143072724722856
Energy: 0.4617920390095976
Energy: 1.4458966469166339
Energy: 0.4774888007571127
Energy: 0.4594229586476959
Energy: 0.4596790633847441
Energy: 0.4591961039485913
Energy: 0.45873252598456293
Energy: 0.4589332297207263
Energy: 0.459441861617334
Energy: 1.4425624787655877
Energy: 1.4391969476936202
Energy: 1.4519363809932697
Energy: 1.467759425292994
Energy: 1.4697168767013666
Energy: 1.4933083450567262
Energy: 1.4906077763686816
Energy: 1.4433922934736423
Energy: 1.4381229295591067
Energy: 1.5014254483928071
Energy: 1.5082658282925467
Energy: 1.503602819124931
Energy: 1.501936544212343
Energy: 1.5012024660253365
Energy: 0.4783273538370338
Energy: 0.4592041375715634
Energy: 0.4590176503272513
Energy: 0.4588044525094528
Energy: 0.45870755642087163
Energy: 0.45849826262679527
Energy: 0.4590047055541447
Energy: 1.4449382716626669
Energy: 1.5011446831210178
Energy: 1.5011184275718232
Energy: 1.447909387417743
Energy: 1.5074837484556394
Energy: 1.4923913872359666
Energy: 1.5013325769046626

minimum gb energy = 0.45849826262679527 eV
minimum distance =  2.32959392047574 Angstroms
sigma value = 23