Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0419338792562485
cohesive_energy=3.370440303774132
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 6.537761863868699e-23, 3.0893970945105e-19, 3.43223085065382e-19, 3.71669731202052e-19, 3.95846576609112e-19, 4.1669890550062203e-19, 4.34853168940476e-19, 4.50754772032926e-19, 4.647257522814059e-19, 4.77017651417454e-19, 4.87824332813784e-19, 4.97304411957162e-19, 5.05586062978308e-19, 5.12778233888334e-19, 5.18967442225476e-19, 5.242353989980679e-19, 5.286477934481039e-19, 5.32260701757774e-19, 5.351269957559999e-19, 5.37293138565168e-19, 5.387959802478599e-19, 5.39675575219926e-19, 5.399623648374119e-19, 5.3965314474705e-19, 5.38196766186744e-19, 5.35308041715642e-19, 5.322062277522179e-19, 5.28226420993362e-19, 5.229071945684819e-19, 5.15987393686236e-19, 5.07159400432896e-19, 4.96046703299472e-19, 4.82189477592006e-19, 4.65022154958696e-19, 4.4383497115068e-19, 4.177435246659899e-19, 3.85624689684192e-19, 3.4604451811785596e-19, 2.97152495954712e-19, 2.36527734300786e-19, 1.6096267553481e-19, 6.61503484292652e-20, -5.380381506999779e-20, -2.0710376041737598e-19, -4.0543720594023593e-19, -6.65874222150204e-19, -1.014064054780986e-18, -1.489963386907908e-18, -2.15842031779212e-18, -3.1302045333784797e-18, -4.6072031069640596e-18, -6.989223195797219e-18, -1.116234858731166e-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: 0.010398516585874361
Energy: 0.08760623163876549
Energy: 0.5273862293961541
Energy: 0.08760623163974104
Energy: 0.08760623163778992
Energy: 0.4641055439755607
Energy: 0.08760623163876549
Energy: 0.4641055455946731
Energy: 0.5273862293961541
Energy: 0.08760623163974104
Energy: 0.010398516586376073
Energy: 0.08760623163974104
Energy: 0.08760623163974104
Energy: 0.4641055425152964
Energy: 0.08760623163923932
Energy: 0.46410554575159785

minimum gb energy = 0.010398516585874361 eV
minimum distance =  2.71620687207402 Angstroms
sigma value = 1


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

Energy: 0.8727712440654634
Energy: 0.6748494068419258
Energy: 0.6202371132940397
Energy: 0.6748494068401004
Energy: 0.6342604906538171
Energy: 0.64036000190487
Energy: 0.6643480396745138
Energy: 0.6403600018829652
Energy: 0.6141514880815252
Energy: 0.7118807609999649
Energy: 0.9517732517201878
Energy: 0.7118807609993564
Energy: 0.6555694582848575
Energy: 0.632063292411441
Energy: 0.6571899149628899
Energy: 0.6320632924047478
Energy: 0.6280475095836652
Energy: 0.636110354255345
Energy: 0.5900826669284395
Energy: 0.6361103542547365
Energy: 0.6476467829296346
Energy: 0.6186154972662719
Energy: 0.6078872785417376
Energy: 0.6186154972662719
Energy: 0.5878525834452931
Energy: 0.5857094270678499
Energy: 0.8059044282449916
Energy: 0.5857094270690669
Energy: 0.5744794780964008
Energy: 0.6273424405678856
Energy: 0.5973395020042692
Energy: 0.6273424404809018
Energy: 0.6781743520877296
Energy: 0.5663615563322927
Energy: 0.6003569776344245
Energy: 0.5663615563322927
Energy: 0.5969423272633947
Energy: 0.6226346674805233
Energy: 0.585838123832953
Energy: 0.6226346674817402
Energy: 0.5968366911154928
Energy: 0.5771310016401027
Energy: 0.6145185587835046
Energy: 0.5771310016407112
Energy: 0.5866520550804846
Energy: 0.6014029970642693
Energy: 0.6023741063762885
Energy: 0.6014029970642693
Energy: 0.6354995924218387
Energy: 0.5983168028394178
Energy: 0.6162285492797589
Energy: 0.5983168028400264
Energy: 0.639725730369293
Energy: 0.6142302512893908
Energy: 0.5938316794385633
Energy: 0.6142302512833061
Energy: 0.6116443437247803
Energy: 0.6428445305611817
Energy: 0.5758512764867035
Energy: 0.6428445305605733
Energy: 0.5864948547128103
Energy: 0.6795166838693018
Energy: 0.6550751169488037
Energy: 0.6795166838711271
Energy: 0.6139507074370337
Energy: 0.6841854737126201
Energy: 0.6161110541343432
Energy: 0.6841854736360082
Energy: 0.6518218580717848
Energy: 0.6200876291051273
Energy: 0.68349948678022
Energy: 0.620087629120339
Energy: 0.6186133921055975
Energy: 0.6934860653325239
Energy: 0.6022987058852618
Energy: 0.6934860653331046
Energy: 0.6399341082387602
Energy: 0.6390209173427638
Energy: 0.6374906934308321
Energy: 0.6390209173524994
Energy: 0.5658209542264185
Energy: 0.6410681806022489
Energy: 0.6041131966152872
Energy: 0.6410681806016404
Energy: 0.5832956467159249
Energy: 0.6099426678051608
Energy: 0.6415830979761927
Energy: 0.6099426678051608
Energy: 0.5976131453737373
Energy: 0.6011626125979171
Energy: 0.5909985886884283
Energy: 0.6011626125973087
Energy: 0.6155833913204634
Energy: 0.6198812172086846
Energy: 0.5756605775293959
Energy: 0.6198812172086846
Energy: 0.5985301603208258
Energy: 0.5744510353988705
Energy: 0.7038899193290555
Energy: 0.5744510353988705
Energy: 0.5822708255822426
Energy: 0.6016771266362926
Energy: 0.6054996366655276
Energy: 0.6016771266350756
Energy: 0.6040238301799923
Energy: 0.5758755809166431
Energy: 0.5919037195238241
Energy: 0.5758755809166431
Energy: 0.5953615412946013
Energy: 0.5857708742315633
Energy: 0.6079236205416574
Energy: 0.5857708742321717
Energy: 0.6360641930558117
Energy: 0.6103966087254739
Energy: 0.6210001634955117
Energy: 0.6103966087254739
Energy: 0.5980811148586085
Energy: 0.6090009396221987
Energy: 0.636262240250535
Energy: 0.6090009396234156
Energy: 0.5646905285358158
Energy: 0.6405597889778519
Energy: 0.6020482435125918
Energy: 0.6405597889778519
Energy: 0.632197174282397
Energy: 0.6285212141307585
Energy: 0.6218450333178149
Energy: 0.6285212141356262
Energy: 0.6187916520925949
Energy: 0.6930306182554178
Energy: 0.5489594687674574
Energy: 0.6930306182548093

minimum gb energy = 0.5489594687674574 eV
minimum distance =  2.51036765686334 Angstroms
sigma value = 1


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

Energy: 0.9956443360220764
Energy: 0.6998677047636387
Energy: 0.628833200545174
Energy: 0.6998677047289505
Energy: 0.6613948645856053
Energy: 0.6909213004659593
Energy: 0.6713151579013349
Energy: 0.6909213004659593
Energy: 0.6273382415841504
Energy: 0.7093415141206367
Energy: 0.9014145852403088
Energy: 0.709341514119943
Energy: 0.6660945862441242
Energy: 0.675849848598135
Energy: 0.6597336314309327
Energy: 0.6758498485995225
Energy: 0.6439168412373705
Energy: 0.6511195286452651
Energy: 0.5876233419939383
Energy: 0.6511195286459588
Energy: 0.6718826665629088
Energy: 0.6490224227480133
Energy: 0.6041435233380371
Energy: 0.6490224227494007
Energy: 0.6197037762718483
Energy: 0.6171502890701197
Energy: 0.7538480509051931
Energy: 0.6171502890715073
Energy: 0.5875503034912841
Energy: 0.6188596149069758
Energy: 0.6393578235654934
Energy: 0.618859613176827
Energy: 0.6538757946646203
Energy: 0.5974958639672532
Energy: 0.6058467588973263
Energy: 0.5974958639658656
Energy: 0.636250222012174
Energy: 0.6308106033672325
Energy: 0.6121136070621985
Energy: 0.6308106033637636
Energy: 0.6161481107136965
Energy: 0.608898345990897
Energy: 0.6601746592080278
Energy: 0.6088983459915907
Energy: 0.6046142862617536
Energy: 0.6605254664344837
Energy: 0.6525676800808852
Energy: 0.6605254664351774
Energy: 0.5913857971879012
Energy: 0.6591301028686228
Energy: 0.6181530741399555
Energy: 0.6591301028686228
Energy: 0.653025404539228
Energy: 0.63755824440113
Energy: 0.6116016283486347
Energy: 0.6375582445550823
Energy: 0.640541790913882
Energy: 0.7290855512561278
Energy: 0.6271550583513272
Energy: 0.7290855512575154
Energy: 0.7111598748300078
Energy: 0.6506835771206992
Energy: 0.6615195322033915
Energy: 0.650683577186575
Energy: 0.6377777983234417
Energy: 0.7075778246061465
Energy: 0.6411641345788334
Energy: 0.7075778246068403
Energy: 0.6514427176965306
Energy: 0.660996533457248
Energy: 0.665093624550108
Energy: 0.6609965334371288
Energy: 0.6458471849689054
Energy: 0.6599213283618267
Energy: 0.5821807520176239
Energy: 0.659921328360439
Energy: 0.6688267949321821
Energy: 0.6850252213323931
Energy: 0.5821954255020109
Energy: 0.6850252213316995
Energy: 0.6073535998003625
Energy: 0.6131703159795707
Energy: 0.6152080332209983
Energy: 0.6131703159802645
Energy: 0.5806990555728244
Energy: 0.6678907654210378
Energy: 0.6257542776710097
Energy: 0.6678907654210378
Energy: 0.6540819788446521
Energy: 0.6026416369431722
Energy: 0.5961526721856082
Energy: 0.6026416369424784
Energy: 0.6330433515177508
Energy: 0.6180031317578211
Energy: 0.6193102902739022
Energy: 0.6180031317578211
Energy: 0.6048388147449655
Energy: 0.6201859255611166
Energy: 0.6410029499196372
Energy: 0.6201859255576477
Energy: 0.6179879921508453
Energy: 0.6326839815761982
Energy: 0.6620601469411385
Energy: 0.6326839815761982
Energy: 0.5961885232772393
Energy: 0.6762395461944318
Energy: 0.6115338261792325
Energy: 0.6762395461958194
Energy: 0.5962799622549649
Energy: 0.7002227780957812
Energy: 0.6093018431243297
Energy: 0.7002227780950875
Energy: 0.6294538686387765
Energy: 0.6104775591361603
Energy: 0.6573506012689792
Energy: 0.6104775591902423

minimum gb energy = 0.5806990555728244 eV
minimum distance =  2.53694137015635 Angstroms
sigma value = 25


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

Energy: 0.9263333086525457
Energy: 0.7409179525056723
Energy: 0.6572531505565609
Energy: 0.7409179524863351
Energy: 0.6885450367411949
Energy: 0.7178529332761536
Energy: 0.7007467231872793
Energy: 0.7178529332753472
Energy: 0.6672393550115523
Energy: 0.7390063696680759
Energy: 0.8273243479756823
Energy: 0.7390063696680759
Energy: 0.6829993169701633
Energy: 0.6959721430272445
Energy: 0.6877155103054148
Energy: 0.6959721430256315
Energy: 0.8176554340873724
Energy: 0.6820532499224904
Energy: 0.6183685819544599
Energy: 0.6820532499224904
Energy: 0.6859860400544452
Energy: 0.7028385938047486
Energy: 0.6122794084543046
Energy: 0.7028385937700697
Energy: 0.6529686452597324
Energy: 0.6449232978755477
Energy: 0.6778372140260194
Energy: 0.6449232978755477
Energy: 0.6194577008165169
Energy: 0.7183032817308879
Energy: 0.6536107164746127
Energy: 0.7183032817316944
Energy: 0.6758807165391829
Energy: 0.6584001480642285
Energy: 0.6410646246429976
Energy: 0.6584001480658414
Energy: 0.6998144659719021
Energy: 0.6796221942911589
Energy: 0.6278820641354573
Energy: 0.6796221942911589
Energy: 0.7313307169505504
Energy: 0.6955400660209454
Energy: 0.6134999127500684
Energy: 0.695540066020139
Energy: 0.6146452872595126
Energy: 0.676269767911111
Energy: 0.6797272275174666
Energy: 0.6762697679143369
Energy: 0.6577905410536444
Energy: 0.7501800333229454
Energy: 0.6366550768909245
Energy: 0.7501800333229454
Energy: 0.6896770181272526
Energy: 0.6880580621032906
Energy: 0.7282391607595153
Energy: 0.6880580620420162
Energy: 0.6297502930386293
Energy: 0.7404014537045785
Energy: 0.6661627104167197
Energy: 0.740401453705385
Energy: 0.7011595995267088
Energy: 0.677840705412353
Energy: 0.6654380284121354
Energy: 0.6778407053801119
Energy: 0.6003776335523673
Energy: 0.6824636486070168
Energy: 0.6363550792678861
Energy: 0.6824636486062285
Energy: 0.6256619514678478
Energy: 0.6907035980743916
Energy: 0.6946801409914839
Energy: 0.6907035980735852
Energy: 0.6842101443842891
Energy: 0.6609498160357681
Energy: 0.6431100151517475
Energy: 0.6609498160357681
Energy: 0.6513600430614191
Energy: 0.6675842312230331
Energy: 0.6378478134092017
Energy: 0.6675842312222265
Energy: 0.6253193676960056
Energy: 0.6507906529496628
Energy: 0.6918979406547987
Energy: 0.6507906529496628
Energy: 0.6395617922058778
Energy: 0.6721392154192877
Energy: 0.682859129754929
Energy: 0.6721392154192877
Energy: 0.6160106587534923
Energy: 0.6851803146343357
Energy: 0.6459219958888802
Energy: 0.6851803146343357
Energy: 0.6775946083065277
Energy: 0.6479589322217321
Energy: 0.6504888377511033
Energy: 0.6479589322136672
Energy: 0.6428530076337542
Energy: 0.7488350323395863
Energy: 0.6719632325312599
Energy: 0.7488350325701486

minimum gb energy = 0.6003776335523673 eV
minimum distance =  2.50652972131407 Angstroms
sigma value = 9


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

Energy: 0.8980265886944295
Energy: 0.7969297522049712
Energy: 0.7027055524036508
Energy: 0.7969297522049712
Energy: 0.7302400592687007
Energy: 0.7037145161391823
Energy: 0.7269430125433527
Energy: 0.7037145127503375
Energy: 0.6881310090711588
Energy: 0.793920761930726
Energy: 0.7645026597172156
Energy: 0.7939207619297639
Energy: 0.7020302531136217
Energy: 0.7296245542016673
Energy: 0.7173151784687836
Energy: 0.7296245542016673
Energy: 0.7297460163458731
Energy: 0.7204024285483971
Energy: 0.6373066204214198
Energy: 0.7204024285483971
Energy: 0.7360079345414601
Energy: 0.7490713167102003
Energy: 0.6220497956078315
Energy: 0.7490713167092383
Energy: 0.6629777048842961
Energy: 0.6904238271427147
Energy: 0.7249613390626134
Energy: 0.6904238271427147
Energy: 0.6524300101309045
Energy: 0.673394447255186
Energy: 0.6698959646873125
Energy: 0.6733944472186489
Energy: 0.6831500010450736
Energy: 0.7049308188053499
Energy: 0.6799670446330492
Energy: 0.7049308188043877
Energy: 0.7402869457720288
Energy: 0.7276148709243342
Energy: 0.665171338940397
Energy: 0.7276148709243342
Energy: 0.6288789444439554
Energy: 0.7274455754873054
Energy: 0.6042379669259638
Energy: 0.7274455754873054
Energy: 0.7660397052910123
Energy: 0.6841160299143473
Energy: 0.6623923806812514
Energy: 0.6841160299201198
Energy: 0.7084794381354309
Energy: 0.7882536925815623
Energy: 0.7774996964614667
Energy: 0.7882536925815623
Energy: 0.7133313459425058
Energy: 0.7782651521811557
Energy: 0.7380296006812667
Energy: 0.7782651521542175
Energy: 0.7273989441855094
Energy: 0.7148832679003404
Energy: 0.645228041168496
Energy: 0.7148832678994002
Energy: 0.7433062047374283
Energy: 0.7147842525724214
Energy: 0.6225097938902829
Energy: 0.714784252579156
Energy: 0.6171636685970346
Energy: 0.6938801248251374
Energy: 0.7005877545445933
Energy: 0.6938801248251374
Energy: 0.6155765536632201
Energy: 0.7103860192982335
Energy: 0.646019636112391
Energy: 0.7103860193011198
Energy: 0.6387227515409136
Energy: 0.6942822899872432
Energy: 0.6797443319248092
Energy: 0.6942822899872432
Energy: 0.6278095157604757
Energy: 0.7244665602223994
Energy: 0.6582373518592721
Energy: 0.7244665602214374
Energy: 0.6818124695725408
Energy: 0.7431853790444591
Energy: 0.6813948670910341
Energy: 0.7431853790434972

minimum gb energy = 0.6042379669259638 eV
minimum distance =  2.49364400981209 Angstroms
sigma value = 25


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

Energy: 0.6900579307479963
Energy: 0.8036494082111686
Energy: 0.7212741442376716
Energy: 0.8036494082123584
Energy: 0.6358466769624811
Energy: 0.6707555620510977
Energy: 0.6619063502169413
Energy: 0.6707555623888636
Energy: 0.694078543245257
Energy: 0.8158548353001854
Energy: 0.8765415295718514
Energy: 0.8158548353001854
Energy: 0.7195539403826727
Energy: 0.7113691348906136
Energy: 0.6957309399003127
Energy: 0.7113691348906136
Energy: 0.646658439341391
Energy: 0.747249864433561
Energy: 0.6262245513578335
Energy: 0.747249864433561
Energy: 0.6585623773289262
Energy: 0.7407860470450306
Energy: 0.6424046156587621
Energy: 0.7407860470450306
Energy: 0.638292989359779
Energy: 0.7505523583424913
Energy: 0.654589238314308
Energy: 0.7505523583424913
Energy: 0.6054202378185645
Energy: 0.7142690943539084
Energy: 0.6585796649361516
Energy: 0.714269094356288
Energy: 0.7015660685805938
Energy: 0.7877424751060872
Energy: 0.8314791382582466
Energy: 0.7877424751037075
Energy: 0.630471798204199
Energy: 0.7606695199710991
Energy: 0.6063537874661864
Energy: 0.7606695199710991
Energy: 0.7704534238072146
Energy: 0.8072357132806876
Energy: 0.7056383050661148
Energy: 0.8072357132806876
Energy: 0.6010972179887905
Energy: 0.8017610398546959
Energy: 0.6785651781002651
Energy: 0.8017610398546959
Energy: 0.6309036522644189
Energy: 0.7465602632301641
Energy: 0.6425301774836559
Energy: 0.7465602632289744
Energy: 0.6338013844113943
Energy: 0.7063822149289438
Energy: 0.6075472413434113
Energy: 0.7063822149301336
Energy: 0.6660901639614233
Energy: 0.7047291799183334
Energy: 0.6147508472976985
Energy: 0.7047291799183334
Energy: 0.6340279113098339
Energy: 0.7495071010093187
Energy: 0.6242860419600911
Energy: 0.7495071010354942
Energy: 0.7121165021523282
Energy: 0.654948698681061
Energy: 0.6946968339027624
Energy: 0.6549487142283256

minimum gb energy = 0.6010972179887905 eV
minimum distance =  2.56832532385751 Angstroms
sigma value = 17


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

Energy: 1.0239210725352568
Energy: 0.808930001061253
Energy: 0.7859296295849715
Energy: 0.8089300010639484
Energy: 0.7041369099070952
Energy: 0.6941489088724734
Energy: 0.7769920577468284
Energy: 0.6941489088731473
Energy: 0.6605822536232184
Energy: 0.7944131848274845
Energy: 0.9346677449177655
Energy: 0.7944131848268108
Energy: 0.6911036122694725
Energy: 0.7492719779825106
Energy: 0.6519424998663738
Energy: 0.7492719779818369
Energy: 0.746478881244305
Energy: 0.7264610933086001
Energy: 0.6397415619867423
Energy: 0.7264610933072524
Energy: 0.7557290813901215
Energy: 0.6981487195551442
Energy: 0.674962656336599
Energy: 0.6981487195558181
Energy: 0.7348337074854404
Energy: 0.8210958449739728
Energy: 0.6780108680858481
Energy: 0.8210958449746466
Energy: 0.7653240491592394
Energy: 0.6997519331177184
Energy: 0.6864781011777166
Energy: 0.699751933115697
Energy: 0.7546683350119939
Energy: 0.8304227505360922
Energy: 0.8844182741432961
Energy: 0.8304227505347446
Energy: 0.7474766606876707
Energy: 0.7663270872925088
Energy: 0.7810312344939563
Energy: 0.766327087291835
Energy: 0.7485246719074599
Energy: 0.7770992248966244
Energy: 0.6318810882066728
Energy: 0.7770992248972984
Energy: 0.7106151148025885
Energy: 0.6683693651497663
Energy: 0.6270255107835521
Energy: 0.6683693653578915
Energy: 0.7180473638998506
Energy: 0.6816312749089873
Energy: 0.6490626040553316
Energy: 0.681631275075365
Energy: 0.7362776241789369
Energy: 0.7660771910695013
Energy: 0.6204431882798
Energy: 0.7660771910695013
Energy: 0.749699396657304
Energy: 0.7622164578557897
Energy: 0.7171757039444089
Energy: 0.7622164578564636
Energy: 0.7269596015961297
Energy: 0.829193367650608
Energy: 0.7409140958351464
Energy: 0.829193367650608
Energy: 0.7735735843413172
Energy: 0.6885072832539421
Energy: 0.6670683129510311
Energy: 0.6885072832559636
Energy: 0.777698844193484
Energy: 0.7363672166961623
Energy: 0.6595068234729653
Energy: 0.7363672166961623
Energy: 0.656542228662099
Energy: 0.7447264992565047
Energy: 0.6863662405733885
Energy: 0.7447264992571786
Energy: 0.65132943920134
Energy: 0.732482573415513
Energy: 0.6872642487556676
Energy: 0.732482573415513
Energy: 0.6556163125983984
Energy: 0.7401386480341646
Energy: 0.8228443965792253
Energy: 0.7401386480341646
Energy: 0.6639887141462955
Energy: 0.8032439962593686
Energy: 0.809276596276878
Energy: 0.8032439962593686
Energy: 0.7449983205854627
Energy: 0.7649548036188479
Energy: 0.6847135249175605
Energy: 0.7649548036134572
Energy: 0.9058775311322894
Energy: 0.8254493064720987
Energy: 0.7721294606987495
Energy: 0.8254493064720987
Energy: 0.6460162708422413
Energy: 0.6854540444156207
Energy: 0.70004017818948
Energy: 0.6854540444156207
Energy: 0.6268132613221178
Energy: 0.7662271013377362
Energy: 0.7026902787843669
Energy: 0.7662271013377362
Energy: 0.6386871916434393
Energy: 0.706500936402703
Energy: 0.6996073225716856
Energy: 0.7065009364020293
Energy: 0.6501653859652812
Energy: 0.7740115605046549
Energy: 0.7818962406584709
Energy: 0.7740115605053288
Energy: 0.6888460024929388
Energy: 0.6927184717391459
Energy: 0.6966190821759781
Energy: 0.6927184717377982
Energy: 0.7381081793056886
Energy: 0.8279249953673754
Energy: 0.7715590489497102
Energy: 0.8279249953714185

minimum gb energy = 0.6204431882798 eV
minimum distance =  2.53543542265635 Angstroms
sigma value = 53


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

Energy: 0.9126180478178714
Energy: 0.8595902111624558
Energy: 0.7050377765062547
Energy: 0.8595902111640071
Energy: 0.71892615723066
Energy: 0.6640334887601316
Energy: 0.7253088783038912
Energy: 0.6640334887601316
Energy: 0.6843123677301551
Energy: 0.8122962925435085
Energy: 0.7217428487884047
Energy: 0.8122962925435085
Energy: 0.7218854441858084
Energy: 0.5854663770147681
Energy: 0.7373498136652249
Energy: 0.5870303683812202
Energy: 0.7379014837670549
Energy: 0.6944755262982842
Energy: 0.5554399168469781
Energy: 0.6944755262982842
Energy: 0.7082634285834819
Energy: 0.6316655123690751
Energy: 0.5806555087532614
Energy: 0.6316655123613185
Energy: 0.874033018533645
Energy: 0.8388299577784084
Energy: 0.724166640356009
Energy: 0.8388299577768571
Energy: 0.8614234214177379
Energy: 0.8436119971832295
Energy: 0.7254898415370957
Energy: 0.8436119971816782
Energy: 0.6921650207444482
Energy: 0.8251898892339249
Energy: 0.7202818246400844
Energy: 0.8251898892339249
Energy: 0.7211934931840788
Energy: 0.6725026882277726
Energy: 0.7302919139276697
Energy: 0.6725026812965296
Energy: 0.735915671589335
Energy: 0.6880672373436161
Energy: 0.5804077426427797
Energy: 0.6880672373436161
Energy: 0.7430894587286527
Energy: 0.7065135470797258
Energy: 0.5442548914070419
Energy: 0.7065135470874823
Energy: 0.861539050062821
Energy: 0.7547382204831472
Energy: 0.7050317170373167
Energy: 0.7547382204831472

minimum gb energy = 0.5442548914070419 eV
minimum distance =  2.50606313659984 Angstroms
sigma value = 9


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

Energy: 0.8574096364861193
Energy: 0.8367896610175134
Energy: 0.7848498106938189
Energy: 0.8367896610157909
Energy: 0.7004312317390402
Energy: 0.7204926685265258
Energy: 0.8619406076420523
Energy: 0.7204926685271
Energy: 0.6793938384740155
Energy: 0.70156725789334
Energy: 0.7947261474482554
Energy: 0.7015672580374024
Energy: 0.6504411846988972
Energy: 0.6965913127084615
Energy: 0.8399331951709832
Energy: 0.696591312710184
Energy: 0.6343445481688386
Energy: 0.7058897776624818
Energy: 0.8626819926508031
Energy: 0.7058897776619077
Energy: 0.6790251269250942
Energy: 0.6928541785167714
Energy: 0.8654353813574611
Energy: 0.6928541785167714
Energy: 0.9120839408000687
Energy: 0.8389148427954383
Energy: 0.8195196388226186
Energy: 0.8389148430537066
Energy: 0.8799474573879464
Energy: 0.8266054671793037
Energy: 0.8048818688272911
Energy: 0.8266054671793037
Energy: 0.6800319728161415
Energy: 0.7528558921025362
Energy: 0.6748901183484075
Energy: 0.7528558921019621
Energy: 0.6178075269553867
Energy: 0.691942163480117
Energy: 0.7988651984910967
Energy: 0.6919421634669112
Energy: 0.6806922758700023
Energy: 0.71350290435825
Energy: 0.8991976911366587
Energy: 0.7135029043565274
Energy: 0.7304852606462476
Energy: 0.7344831545806467
Energy: 0.8676028901130918
Energy: 0.7344831545605511
Energy: 0.8903503786424064
Energy: 0.7215855729627509
Energy: 0.7608019138991035
Energy: 0.7215855729604543
Energy: 0.9029787770054882
Energy: 0.7355529003868525
Energy: 0.7055078543541828
Energy: 0.7355529003001802
Energy: 0.7812323244380788
Energy: 0.6911646892126441
Energy: 0.7070264609350447
Energy: 0.6911646895173934
Energy: 0.725249186177362
Energy: 0.7028426456976267
Energy: 0.6881307143873329
Energy: 0.7028426456959042
Energy: 0.7998463712586802
Energy: 0.7048839153406115
Energy: 0.7108289380632797
Energy: 0.7048839153429082
Energy: 0.8241083914059508
Energy: 0.8354704631448594
Energy: 0.8560471917331715
Energy: 0.8354704631448594
Energy: 0.8430852429812725
Energy: 0.709952798613548
Energy: 0.7325420372517683
Energy: 0.709952798638811
Energy: 0.8006785378280236
Energy: 0.7948754013711555
Energy: 0.6526999364646637
Energy: 0.7948754013711555
Energy: 0.8404974898161537
Energy: 0.7156639241700942
Energy: 0.647514766330794
Energy: 0.7156639241700942
Energy: 0.8740162032564185
Energy: 0.7198791280081339
Energy: 0.6351164929859213
Energy: 0.7198791280075598
Energy: 0.8709906507029963
Energy: 0.6969884540165319
Energy: 0.6707876130145263
Energy: 0.6969884540153836
Energy: 0.8392424028791795
Energy: 0.8362844702317505
Energy: 0.8937603444409045
Energy: 0.8362844702587099
Energy: 0.7883880301395418
Energy: 0.792441515066799
Energy: 0.8875436548553441
Energy: 0.7924415150610576
Energy: 0.6707554514056921
Energy: 0.7610538651523372
Energy: 0.6793236266970045
Energy: 0.7610538651534855
Energy: 0.7805802027397538
Energy: 0.7229860501820484
Energy: 0.6077896826287628
Energy: 0.7229860501831967
Energy: 0.8629468443091731
Energy: 0.7480241750505241
Energy: 0.6725366569171111
Energy: 0.7480241750510983
Energy: 0.8608351060178583
Energy: 0.7253925394595887
Energy: 0.7307355032637709
Energy: 0.7253926077011512
Energy: 0.8088904648754287
Energy: 0.704399042712236
Energy: 0.8899278916770347
Energy: 0.7043990427093653
Energy: 0.7050822558875165
Energy: 0.7376083638576113
Energy: 0.793333171609996
Energy: 0.7376083638553146
Energy: 0.7063736529714438
Energy: 0.7117402139032255
Energy: 0.7971034554731922
Energy: 0.7117402139015031
Energy: 0.6852178870829199
Energy: 0.7084854171955614
Energy: 0.740003981569184
Energy: 0.7084854171972578
Energy: 0.6847273148539531
Energy: 0.719930099208603
Energy: 0.7285024639663263
Energy: 0.7199300992074547
Energy: 0.8578295058017023
Energy: 0.8115147001897391
Energy: 0.81505018536265
Energy: 0.8115147001839975

minimum gb energy = 0.6077896826287628 eV
minimum distance =  2.51912087808292 Angstroms
sigma value = 73


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

Energy: 0.898890768148414
Energy: 0.8667703417331849
Energy: 0.7670958899768401
Energy: 0.866770341734096
Energy: 0.7718384381803902
Energy: 0.7391341559640011
Energy: 0.8491553165431717
Energy: 0.7391341559640011
Energy: 0.6599794278271116
Energy: 0.7213397966258595
Energy: 0.7560253560906215
Energy: 0.7213397966258595
Energy: 0.6403608293144446
Energy: 0.698628136850227
Energy: 0.8289068077321866
Energy: 0.6986281368574938
Energy: 0.6574469612017078
Energy: 0.7245711818604677
Energy: 0.8614203787409834
Energy: 0.7245711818604677
Energy: 0.6802894272214708
Energy: 0.726831363370232
Energy: 0.8557260293447396
Energy: 0.726831363370232
Energy: 0.9078878481345959
Energy: 0.8615655637534847
Energy: 0.797244019444148
Energy: 0.8615655637553066
Energy: 0.8496740249727555
Energy: 0.804375543037373
Energy: 0.8125296426890023
Energy: 0.804375543037373
Energy: 0.7060031984789292
Energy: 0.748310378970335
Energy: 0.7627282561684252
Energy: 0.748310378970335
Energy: 0.6547492905582218
Energy: 0.7525466562681933
Energy: 0.7937976862798842
Energy: 0.7525466562681933
Energy: 0.696419116457343
Energy: 0.6822794822014749
Energy: 0.8670575582087914
Energy: 0.6822794957632088
Energy: 0.7126675722936245
Energy: 0.7151781034929596
Energy: 0.7991043551195869
Energy: 0.7151781034929596
Energy: 0.7703714831044284
Energy: 0.7184014296861609
Energy: 0.772623516670526
Energy: 0.7184014296925376
Energy: 0.7592298455238923
Energy: 0.7166878981680894
Energy: 0.6897094236951657
Energy: 0.7166878981708222
Energy: 0.7768189744619965
Energy: 0.7046263536206347
Energy: 0.6665496993135903
Energy: 0.7046263536197238
Energy: 0.8805268542571875
Energy: 0.7633007879035423
Energy: 0.674309356071517
Energy: 0.7633007879044532
Energy: 0.8490570282577267
Energy: 0.7657878442960643
Energy: 0.740723247603838
Energy: 0.7657878442951532
Energy: 0.7471963008082787
Energy: 0.843838716062116
Energy: 0.9829326387941529
Energy: 0.8438387159810825
Energy: 0.7351544101339563
Energy: 0.7189275478166848
Energy: 0.7953455713309356
Energy: 0.7189275478085069
Energy: 0.7144063589790994
Energy: 0.7429612645166208
Energy: 0.7311806472006911
Energy: 0.7429612645157098
Energy: 0.7336615749273743
Energy: 0.7401640362368247
Energy: 0.6603736145644638
Energy: 0.7401640362368247
Energy: 0.8707346301464508
Energy: 0.7844735681544006
Energy: 0.7602507931372048
Energy: 0.7844735679832241

minimum gb energy = 0.6403608293144446 eV
minimum distance =  2.50597868694201 Angstroms
sigma value = 7


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

Energy: 1.0579442492402404
Energy: 0.8631125203685808
Energy: 0.803498485105644
Energy: 0.8631125203685808
Energy: 0.771619971722027
Energy: 0.732249692022761
Energy: 0.8302582519013376
Energy: 0.732249692022761
Energy: 0.6840017255168566
Energy: 0.7200008458555551
Energy: 0.7094698351216253
Energy: 0.7200008458555551
Energy: 0.6572634359641827
Energy: 0.6939138742197034
Energy: 0.8248802245025179
Energy: 0.693913873363375
Energy: 0.6890543041753757
Energy: 0.7069819159600671
Energy: 0.7786958001762856
Energy: 0.7069819103752663
Energy: 0.7637958084181276
Energy: 0.7376263115352825
Energy: 0.7892423837297816
Energy: 0.7376263115385031
Energy: 0.7877653586660197
Energy: 0.7317576938970018
Energy: 0.7452245066263044
Energy: 0.7317576939014817
Energy: 0.8356920285439452
Energy: 0.7284094274879819
Energy: 0.6819432872412169
Energy: 0.7284094274866936
Energy: 0.7916955114103702
Energy: 0.7055943079644198
Energy: 0.6596868716515663
Energy: 0.7055943079528254
Energy: 0.7726989188218181
Energy: 0.7931375373435254
Energy: 0.6771655461828906
Energy: 0.7931375373428812
Energy: 0.8013210650504836
Energy: 0.7522132140112612
Energy: 0.8691579078208882
Energy: 0.752213214010617
Energy: 0.7809650899606119
Energy: 0.7969503192786696
Energy: 0.8696060912772214
Energy: 0.7969505345610115
Energy: 0.7374163196013556
Energy: 0.7151449376823974
Energy: 0.7521336596907853
Energy: 0.7151449376817531
Energy: 0.7138907645204867
Energy: 0.7447378995493283
Energy: 0.6450832072118404
Energy: 0.7447378995493283
Energy: 0.7776152262955923
Energy: 0.7095348322072219
Energy: 0.6494188677038866
Energy: 0.7095348322072219
Energy: 0.8148479625287763
Energy: 0.7953111945367328
Energy: 0.7924056399055514
Energy: 0.7953111945193411
Energy: 0.8587265575675722
Energy: 0.7379521361260365
Energy: 0.8241808944195911
Energy: 0.7379521361266805
Energy: 0.7007187447836469
Energy: 0.7932312650624688
Energy: 0.7055143541332979
Energy: 0.7932312650624688
Energy: 0.6383145343977531
Energy: 0.7462631177181579
Energy: 0.7996955738612321
Energy: 0.7462631177181579
Energy: 0.6628117054842032
Energy: 0.7421398099793219
Energy: 0.8797359435529504
Energy: 0.7421398099786778
Energy: 0.7449061608777023
Energy: 0.7348447099697226
Energy: 0.7678942065037987
Energy: 0.7348447099684343
Energy: 0.8298262807376922
Energy: 0.716116105878202
Energy: 0.7969334787991103
Energy: 0.7161179863227772
Energy: 0.830639857611872
Energy: 0.7418280195138556
Energy: 0.700044658127388
Energy: 0.7418280195157881
Energy: 0.8100512396071149
Energy: 0.6944212257205913
Energy: 0.646710780036432
Energy: 0.6944212257199471
Energy: 0.7784748685780903
Energy: 0.7180756200160863
Energy: 0.6927206382366592
Energy: 0.7180756200167302
Energy: 0.8195211539374821
Energy: 0.7239260265349492
Energy: 0.7432805685553707
Energy: 0.7239260264866677
Energy: 0.7974811527456385
Energy: 0.8478740283618253
Energy: 0.9052550589547735
Energy: 0.8478740283618253
Energy: 0.7413519292573577
Energy: 0.7190285065863353
Energy: 0.777175028793116
Energy: 0.7190285065695877
Energy: 0.7312998890551089
Energy: 0.7394453581349487
Energy: 0.7166210162033286
Energy: 0.7394453581336605
Energy: 0.7569700882170488
Energy: 0.709160813327906
Energy: 0.6468996845978408
Energy: 0.7091608133214645
Energy: 0.8797717578906504
Energy: 0.82450807456978
Energy: 0.800050065295051
Energy: 0.8245080745684917

minimum gb energy = 0.6383145343977531 eV
minimum distance =  2.53208770178735 Angstroms
sigma value = 29


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

Energy: 0.569419117813019
Energy: 0.7565015494353128
Energy: 0.6957745234949263
Energy: 0.7565015571937821
Energy: 0.7556458876763724
Energy: 0.7113401053785919
Energy: 0.6423954689026306
Energy: 0.7113401053785919
Energy: 0.760502728313945
Energy: 0.6771816594656959
Energy: 0.5711084310414662
Energy: 0.6771816594887066
Energy: 0.5853029691710255
Energy: 0.6820557604298298
Energy: 0.7469230281380501
Energy: 0.6820557603344214
Energy: 0.699652226009679
Energy: 0.7369127777705196
Energy: 0.5787606143371099
Energy: 0.7369127777705196
Energy: 0.7833157121386346
Energy: 0.718505644969987
Energy: 0.5847978614598202
Energy: 0.71850564010042
Energy: 0.583350647971159
Energy: 0.7003309326137366
Energy: 0.722069022732355
Energy: 0.7003309326076038
Energy: 0.6410421513102552
Energy: 0.7132276568865837
Energy: 0.6365435815224442
Energy: 0.7132276570999376
Energy: 0.6528372563166803
Energy: 0.745505945245698
Energy: 0.6465142467824373
Energy: 0.745505945245698

minimum gb energy = 0.569419117813019 eV
minimum distance =  2.55974695012183 Angstroms
sigma value = 5


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

Energy: 0.7831229918279053
Energy: 0.8499673642400057
Energy: 0.7977519790081596
Energy: 0.8499673641974129
Energy: 0.7111239969343733
Energy: 0.7421972702670578
Energy: 0.7437858773249424
Energy: 0.7421972702670578
Energy: 0.7398241917394683
Energy: 0.7733560510389395
Energy: 0.7124073723170818
Energy: 0.7733560510365055
Energy: 0.6090326967134116
Energy: 0.6990182325553359
Energy: 0.7433230607549912
Energy: 0.6990182325529021
Energy: 0.7307862449679048
Energy: 0.7402988494794847
Energy: 0.8594018621936776
Energy: 0.7402988494776592
Energy: 0.6267490288772664
Energy: 0.7014388524197475
Energy: 0.7544193688806077
Energy: 0.7014388523960171
Energy: 0.6036941347593755
Energy: 0.6408708265507682
Energy: 0.7435318551291403
Energy: 0.6408708270501007
Energy: 0.6333662319305965
Energy: 0.7976668634259959
Energy: 0.8097873842267593
Energy: 0.7976668634259959
Energy: 0.7293729218791576
Energy: 0.7699081000108993
Energy: 0.7897469102907595
Energy: 0.7699081000115078
Energy: 0.6920554025842447
Energy: 0.8181848565764969
Energy: 0.6042311063732922
Energy: 0.8181848565771055
Energy: 0.7048544271266294
Energy: 0.6448765723969141
Energy: 0.5975806865671305
Energy: 0.6448765724017543
Energy: 0.8004606949507016
Energy: 0.7029847900541915
Energy: 0.5961493982825583
Energy: 0.7029847900590591
Energy: 0.8030030417056037
Energy: 0.6883238551189933
Energy: 0.7640929412874216
Energy: 0.6883238552053407
Energy: 0.7331586179880886
Energy: 0.7427483506452918
Energy: 0.7082753601530641
Energy: 0.7427483506440749
Energy: 0.6046210461544811
Energy: 0.7694756156034137
Energy: 0.7156732815960207
Energy: 0.7694756156034137
Energy: 0.6420223217767616
Energy: 0.6523918196797329
Energy: 0.7474523880792909
Energy: 0.6523918196821668
Energy: 0.7804870077508729
Energy: 0.8551652502509087
Energy: 1.0526300053883941
Energy: 0.8551652510543378
Energy: 0.737109472595887
Energy: 0.7315659994534088
Energy: 0.758436562283631
Energy: 0.7315659994546257
Energy: 0.6957500395753944
Energy: 0.771174421544352
Energy: 0.7336756080446593
Energy: 0.7711744215449604
Energy: 0.7382497997196729
Energy: 0.7308517176973676
Energy: 0.6077693371977847
Energy: 0.7308517176973676
Energy: 0.7560294379531041
Energy: 0.7369573089173934
Energy: 0.6895751384074703
Energy: 0.7369573090110425
Energy: 0.7609812065571119
Energy: 0.635945023722324
Energy: 0.6283830675432385
Energy: 0.6359450237198901
Energy: 0.7390263163474902
Energy: 0.6563662638224812
Energy: 0.6100787300873391
Energy: 0.6563662638218728
Energy: 0.7968141568147513
Energy: 0.7733878777628364
Energy: 0.6175922980133278
Energy: 0.7733878778777818
Energy: 0.813007322073288
Energy: 0.7500882776293945
Energy: 0.7331299400066528
Energy: 0.7500882776293945
Energy: 0.7410091792212
Energy: 0.8149143227270425
Energy: 0.6933578303325258
Energy: 0.814914322744688
Energy: 0.6210526365499789
Energy: 0.6447820217697435
Energy: 0.7190117031832142
Energy: 0.6447820217758281
Energy: 0.6245039490212752
Energy: 0.6571641807149814
Energy: 0.7154503498745162
Energy: 0.6571641807186321
Energy: 0.7614323143962742
Energy: 0.7464618250488849
Energy: 0.8001057726387398
Energy: 0.7464618250561865
Energy: 0.724745548631894
Energy: 0.7428050804020833
Energy: 0.7329376821975676
Energy: 0.7428050804020833
Energy: 0.7190898511838945
Energy: 0.7296913044886338
Energy: 0.631944166763214
Energy: 0.7296913044904594
Energy: 0.710340826008538
Energy: 0.639331971107174
Energy: 0.6144158849142406
Energy: 0.6393319711114333
Energy: 0.9665876217023379
Energy: 0.6657396258685386
Energy: 0.799356581493901
Energy: 0.6657396259762103

minimum gb energy = 0.5961493982825583 eV
minimum distance =  2.51872993245088 Angstroms
sigma value = 1


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

Energy: 0.9225815213552969
Energy: 0.8482460169351116
Energy: 0.7767224948186006
Energy: 0.8482460169351116
Energy: 0.7673889049354192
Energy: 0.7050440754174279
Energy: 0.7426745025034822
Energy: 0.7050440754182693
Energy: 0.7328800877913715
Energy: 0.7503510914809337
Energy: 0.7256651973435386
Energy: 0.7503510914809337
Energy: 0.6426056397626189
Energy: 0.7044798698658024
Energy: 0.7160012536355428
Energy: 0.7044798698683263
Energy: 0.7122918931599285
Energy: 0.7259202226765313
Energy: 0.671824230364811
Energy: 0.725920222659705
Energy: 0.6318831899551574
Energy: 0.6846120153992071
Energy: 0.6766659597664006
Energy: 0.6846120153992071
Energy: 0.5894060413242763
Energy: 0.6403921418392111
Energy: 0.7149130448836531
Energy: 0.6403921418400524
Energy: 0.63216584720023
Energy: 0.7963803222469443
Energy: 0.9276239809978967
Energy: 0.7963803222469443
Energy: 0.7013552084822565
Energy: 0.7361519626217655
Energy: 0.7376893353363626
Energy: 0.7361519626209243
Energy: 0.7713171534784035
Energy: 0.7833874317740516
Energy: 0.739598228040801
Energy: 0.7833874317740516
Energy: 0.6999232444246501
Energy: 0.6631283725924385
Energy: 0.6339668841414478
Energy: 0.6631283725646944
Energy: 0.8218251361574062
Energy: 0.666007533823295
Energy: 0.6232205668136409
Energy: 0.6660075338418039
Energy: 0.8439791437648612
Energy: 0.6065379113067686
Energy: 0.7473340521966788
Energy: 0.606537912156951
Energy: 0.7541064681760566
Energy: 0.6991716821876609
Energy: 0.793289074877233
Energy: 0.6991716821868197
Energy: 0.6548477705702729
Energy: 0.6506983545262183
Energy: 0.7664134109163314
Energy: 0.6506983160281182
Energy: 0.6618533194603632
Energy: 0.6907509003434958
Energy: 0.7424238909896148
Energy: 0.6907509003216218
Energy: 0.7857971270348659
Energy: 0.8535211475073605
Energy: 1.105735525698292
Energy: 0.8535211474880295
Energy: 0.6240995757544553
Energy: 0.6494089633074032
Energy: 0.722884632783482
Energy: 0.6494089636017282
Energy: 0.5900829094352738
Energy: 0.6401276818662581
Energy: 0.7796477748166829
Energy: 0.6401276818813826
Energy: 0.7384004751583996
Energy: 0.8062491301027601
Energy: 0.9322165730077269
Energy: 0.8062491300623964
Energy: 0.7843276638731015
Energy: 0.7502333349349561
Energy: 0.7786637840019579
Energy: 0.7502333347213588
Energy: 0.7795816421557047
Energy: 0.7300862617691242
Energy: 0.5918297161336581
Energy: 0.7300862617691242
Energy: 0.7768388849412449
Energy: 0.6495767344842748
Energy: 0.5874733910855036
Energy: 0.6495767344842748
Energy: 0.9243630178193575
Energy: 0.7026580211037852
Energy: 0.7161841252895714
Energy: 0.7026580211029437

minimum gb energy = 0.5874733910855036 eV
minimum distance =  2.54544749924384 Angstroms
sigma value = 17


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

Energy: 0.8893932367461601
Energy: 0.8810532048620393
Energy: 0.803732914439201
Energy: 0.8810532048625593
Energy: 0.7171210825564455
Energy: 0.6797996600427675
Energy: 0.6753961342358896
Energy: 0.6797996600427675
Energy: 0.7558611983741637
Energy: 0.7774173796050791
Energy: 0.6645496338135847
Energy: 0.7774173796050791
Energy: 0.7359767309616405
Energy: 0.7274936288374245
Energy: 0.7024839409846522
Energy: 0.7274936288467844
Energy: 0.6763854348675755
Energy: 0.6697494150306682
Energy: 0.8196575129281207
Energy: 0.6697494133762271
Energy: 0.5695950097906438
Energy: 0.6030769124825388
Energy: 0.7805308991245501
Energy: 0.6030769121348026
Energy: 0.5868789916374043
Energy: 0.6229265357565865
Energy: 0.7654690208134893
Energy: 0.6229265357602265
Energy: 0.6100810587812339
Energy: 0.6518247741614979
Energy: 0.9014192522857067
Energy: 0.6518247742363302
Energy: 0.7399953798476699
Energy: 0.7656935148215278
Energy: 0.7096688490830774
Energy: 0.7656935148220477
Energy: 0.649791722361125
Energy: 0.7859883786328662
Energy: 0.6781411625980471
Energy: 0.7859883786318262
Energy: 0.7787614921211968
Energy: 0.6799060817401048
Energy: 0.5791446337380539
Energy: 0.6799060817592976
Energy: 0.7848122669687624
Energy: 0.6860135615799858
Energy: 0.6771722429900431
Energy: 0.6860135615711457
Energy: 0.93243323641684
Energy: 0.6172748947079354
Energy: 0.6022462638174044
Energy: 0.6172748946887425
Energy: 0.8205299067908196
Energy: 0.6249474828038758
Energy: 0.5860293601357818
Energy: 0.6249474828069956
Energy: 0.7340305283512079
Energy: 0.6851969705445224
Energy: 0.5954949251994168
Energy: 0.685196970562155
Energy: 0.8109761920395522
Energy: 0.7855353010034883
Energy: 0.83703560692554
Energy: 0.7855353010029683
Energy: 0.6686349078290175
Energy: 0.8146282265853342
Energy: 0.8135669176326144
Energy: 0.8146282265868942
Energy: 0.5831102814160185
Energy: 0.6548864158643783
Energy: 0.7399216282566402
Energy: 0.654886415101874
Energy: 0.6300635073241185
Energy: 0.6589528248883776
Energy: 0.7144821257088823
Energy: 0.6589528248909774
Energy: 0.8284858914234725
Energy: 0.5995734007640072
Energy: 0.8914141510643242
Energy: 0.5996010196571391
Energy: 0.700488170826149
Energy: 0.6603412590992552
Energy: 0.7407303501242436
Energy: 0.6603412590971753
Energy: 0.6752597694954887
Energy: 0.7630072642006057
Energy: 0.7561494802464581
Energy: 0.7630072642011259
Energy: 0.7837091924890099
Energy: 0.7295364448951778
Energy: 0.7555959376511746
Energy: 0.7295364448941378
Energy: 0.8141800264107016
Energy: 0.6070244458713897
Energy: 0.6955450911602145
Energy: 0.6070244149723228
Energy: 0.7423564289007296
Energy: 0.6271400324990659
Energy: 0.5685204877093637
Energy: 0.6271400324969859
Energy: 0.6744804515264844
Energy: 0.6176247515026988
Energy: 0.5919246617246252
Energy: 0.6176247514928189
Energy: 0.8970602197395703
Energy: 0.8181779852333595
Energy: 0.6422666052938031
Energy: 0.8181779852707993
Energy: 0.7037958280658423
Energy: 0.7507877766303762
Energy: 0.7541390560220264
Energy: 0.7507877766308961
Energy: 0.6679458457680574
Energy: 0.6958802266630936
Energy: 0.6546916998536159
Energy: 0.6958802266573736
Energy: 0.5792320481699214
Energy: 0.6593774879396875
Energy: 0.8137657403008054
Energy: 0.6593774879402075
Energy: 0.6394909929484368
Energy: 0.735642297041985
Energy: 0.7972870402759978
Energy: 0.7356422971262245
Energy: 0.5945805300923951
Energy: 0.6126453299061615
Energy: 0.8358116496979975
Energy: 0.6126453299066815
Energy: 0.5811712267890333
Energy: 0.6191697066362934
Energy: 0.7683181077846918
Energy: 0.6191697066357734
Energy: 0.6029253672452913
Energy: 0.6714299764225278
Energy: 0.7336117325124447
Energy: 0.6714317767974963
Energy: 0.7554656863037049
Energy: 0.779068802634332
Energy: 0.7688261540889367
Energy: 0.779068802633812
Energy: 0.8114084336794896
Energy: 0.8268766892206596
Energy: 0.6438066357429411
Energy: 0.8268766892201396
Energy: 0.7312825350883942
Energy: 0.6178015976901605
Energy: 0.5851293074329853
Energy: 0.6178015976542808
Energy: 0.7034576628844021
Energy: 0.6476889081429742
Energy: 0.6149606638125955
Energy: 0.6476889081466141

minimum gb energy = 0.5685204877093637 eV
minimum distance =  2.53957875007755 Angstroms
sigma value = 89


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

Energy: 0.9310228378362342
Energy: 0.8253053468268772
Energy: 0.707978306037524
Energy: 0.8253053468268772
Energy: 0.6775504289060412
Energy: 0.6803056359925953
Energy: 0.6734800628239878
Energy: 0.6803056361000502
Energy: 0.5442337609792216
Energy: 0.7513632184544912
Energy: 0.7140454923826872
Energy: 0.7513632184544912
Energy: 0.5200113208766458
Energy: 0.6567649548284116
Energy: 0.7033619038741029
Energy: 0.6567649548243297
Energy: 0.594606605083434
Energy: 0.6504927797138337
Energy: 0.7288800998409544
Energy: 0.6504927652260067
Energy: 0.526693355823803
Energy: 0.660173510575157
Energy: 0.644870452132454
Energy: 0.6601735101698897
Energy: 0.5373757008370353
Energy: 0.5765670247704149
Energy: 0.6924781536226574
Energy: 0.5765670247663331
Energy: 0.6889358795730934
Energy: 0.6042935622192441
Energy: 0.919145761361528
Energy: 0.6042935620206923
Energy: 0.6560899430230723
Energy: 0.7210247365942264
Energy: 0.7597388196058947
Energy: 0.7210247365942264
Energy: 0.7222836495715645
Energy: 0.7596616153301415
Energy: 0.7239330990317012
Energy: 0.759661615328781
Energy: 0.6889427488156348
Energy: 0.6979649260338907
Energy: 0.5188110484556793
Energy: 0.6979649260338907
Energy: 0.6500540600618858
Energy: 0.7156476356523366
Energy: 0.702265809219425
Energy: 0.7156476356523366
Energy: 0.7107816840665917
Energy: 0.6648678454226665
Energy: 0.5285395498288549
Energy: 0.6648678455409752
Energy: 0.7447374697247591
Energy: 0.5820168097677801
Energy: 0.5247771573007259
Energy: 0.5820168097501236
Energy: 0.7983308459096745
Energy: 0.5935758268894367
Energy: 0.5334269043247026
Energy: 0.5935758268894367

minimum gb energy = 0.5188110484556793 eV
minimum distance =  2.55623013929448 Angstroms
sigma value = 13


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

Energy: 0.8200768791163305
Energy: 0.8192394788911924
Energy: 0.7772598964683052
Energy: 0.8192394789755665
Energy: 0.751885123814214
Energy: 0.5549971890487233
Energy: 0.5977130860050556
Energy: 0.5549971892060398
Energy: 0.7198749352769461
Energy: 0.6048041807562168
Energy: 0.6059351215805351
Energy: 0.6048041807385643
Energy: 0.658882350791348
Energy: 0.7561598646439963
Energy: 0.6346909975195817
Energy: 0.756159864643426
Energy: 0.6519638748808891
Energy: 0.7423245415218579
Energy: 0.7450449011516805
Energy: 0.7423245415224283
Energy: 0.5969826547292281
Energy: 0.6162865482436257
Energy: 0.7262519783198249
Energy: 0.6162865482390636
Energy: 0.5909307187178751
Energy: 0.5987308075315182
Energy: 0.8719597529512357
Energy: 0.598730807530948
Energy: 0.7742880527092887
Energy: 0.5811398546719676
Energy: 0.9249874299967609
Energy: 0.5811398553901959
Energy: 0.5335852483330209
Energy: 0.5818095536753288
Energy: 0.8538573853571755
Energy: 0.5818095536297331
Energy: 0.5187567547133131
Energy: 0.5506741010915027
Energy: 0.8347326735844052
Energy: 0.5506741010971793
Energy: 0.6297813871987117
Energy: 0.695843011842577
Energy: 0.8268589055748008
Energy: 0.696506485898504
Energy: 0.6733483492459772
Energy: 0.6964574509099462
Energy: 0.8304595975570142
Energy: 0.6964574509093758
Energy: 0.7557158191077057
Energy: 0.6792926320220213
Energy: 0.6893147603312229
Energy: 0.6792926320231617
Energy: 0.7640585498205797
Energy: 0.7027101320506607
Energy: 0.6708338897202203
Energy: 0.7027101320489499
Energy: 0.8751748339259907
Energy: 0.6955363834305984
Energy: 0.6410200076716401
Energy: 0.6955363834283174
Energy: 0.8058686517910036
Energy: 0.5575343822282889
Energy: 0.520864756830303
Energy: 0.5575343821262626
Energy: 0.7586812537864468
Energy: 0.5419762749972993
Energy: 0.5205665830083916
Energy: 0.541976274992167
Energy: 0.8128897142441689
Energy: 0.5754160552837259
Energy: 0.6599186119542936
Energy: 0.5754160552712059
Energy: 0.8706462485392369
Energy: 0.6307543891447313
Energy: 0.5955508923940458
Energy: 0.6307543891430205
Energy: 0.8649883721125169
Energy: 0.6031308550688759
Energy: 0.5919443319310042
Energy: 0.603130855052338
Energy: 0.644738362260599
Energy: 0.6721822981206881
Energy: 0.6094748649786026
Energy: 0.6722143957406543
Energy: 0.7747004654902026
Energy: 0.7411971346239883
Energy: 0.7204050934230021
Energy: 0.7411971346245586
Energy: 0.5988537073482717
Energy: 0.6569521422382377
Energy: 0.7397164826106672
Energy: 0.6569521421293683
Energy: 0.5155035750885688
Energy: 0.6132674363284635
Energy: 0.7942509939235818
Energy: 0.6132674363273231
Energy: 0.556581360765602
Energy: 0.5508276891038264
Energy: 0.8399434891775386
Energy: 0.5508276890901399
Energy: 0.5287241418837234
Energy: 0.5595090507152524
Energy: 0.8305641019012551
Energy: 0.5595090507118307
Energy: 0.513888424697564
Energy: 0.5587676998237145
Energy: 0.8773040576219454
Energy: 0.5587676998237145
Energy: 0.5438191005326843
Energy: 0.5890838410847111
Energy: 0.8162609090355316
Energy: 0.5890838410830004
Energy: 0.6659065889642833
Energy: 0.6988426604636035
Energy: 0.8895238710289063
Energy: 0.6988426604636035
Energy: 0.5791449823308632
Energy: 0.6919742878773973
Energy: 0.6858386279232161
Energy: 0.6919742878773973
Energy: 0.6858106753626556
Energy: 0.7119974252538692
Energy: 0.6548384444901738
Energy: 0.7119974252538692
Energy: 0.8060972962511196
Energy: 0.635557462742872
Energy: 0.5812113340123215
Energy: 0.6355574627400206
Energy: 0.8511197034642372
Energy: 0.561250494237229
Energy: 0.5408026167452308
Energy: 0.5612504946926666
Energy: 0.7899242849147058
Energy: 0.553547743928765
Energy: 0.5201125929611105
Energy: 0.5535477439276244
Energy: 0.9046849663508482
Energy: 0.5664293320752487
Energy: 0.5169555846887001
Energy: 0.5664293320729676

minimum gb energy = 0.513888424697564 eV
minimum distance =  2.53812945947031 Angstroms
sigma value = 37


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

Energy: 0.7965392396479695
Energy: 0.8110304787056625
Energy: 0.6698174769328151
Energy: 0.8110304787056625
Energy: 0.8370366554885245
Energy: 0.6246844303386704
Energy: 0.5914819137049162
Energy: 0.6246844303327836
Energy: 0.7151476350037146
Energy: 0.6196101164003159
Energy: 0.6167665041570254
Energy: 0.6196101164022781
Energy: 0.8126415562718335
Energy: 0.7204778560220906
Energy: 0.6364574028404675
Energy: 0.7204778560230718
Energy: 0.7467478548583834
Energy: 0.6981777046875631
Energy: 0.663452163845865
Energy: 0.6981777046875631
Energy: 0.5537400146041711
Energy: 0.6004163106025032
Energy: 0.8665098125038371
Energy: 0.6004163106025032
Energy: 0.5346425778195992
Energy: 0.5881666839344272
Energy: 0.8513720965922403
Energy: 0.5881666839334461
Energy: 0.7973518149958334
Energy: 0.5781222768637042
Energy: 0.9842073774132513
Energy: 0.5781222764763146
Energy: 0.562923421947388
Energy: 0.5457396386170208
Energy: 0.8534871809063742
Energy: 0.5457396388053081
Energy: 0.5286932468810808
Energy: 0.5620746192619754
Energy: 0.9195274705735268
Energy: 0.5620746192619754
Energy: 0.6466568489875072
Energy: 0.7835224398138914
Energy: 0.7108746288375053
Energy: 0.7835224398129101
Energy: 0.6122891791922048
Energy: 0.6418047459224814
Energy: 0.9125646938021721
Energy: 0.6418047459136512
Energy: 0.682129288975171
Energy: 0.6680393653269933
Energy: 0.7182979639325683
Energy: 0.6680393653279744
Energy: 0.7229868107523574
Energy: 0.7220465483537615
Energy: 0.8126195945662997
Energy: 0.7220465484851658
Energy: 0.663452163845865
Energy: 0.6778670205644635
Energy: 0.788510819298379
Energy: 0.6778670205654447
Energy: 0.7952282028479027
Energy: 0.6111367574496163
Energy: 0.548355645202486
Energy: 0.6111367574505975
Energy: 0.8447720732373102
Energy: 0.6077696247205834
Energy: 0.5328294368225804
Energy: 0.607769624733338
Energy: 0.9842073774142324
Energy: 0.6099276696216315
Energy: 0.6739435339577194
Energy: 0.6099276691969814
Energy: 0.8534871809063742
Energy: 0.536688019053838
Energy: 0.5012666668475138
Energy: 0.5366880190106905
Energy: 0.9194883312522302
Energy: 0.5502354706427388
Energy: 0.490557413134378
Energy: 0.5502354706427388

minimum gb energy = 0.490557413134378 eV
minimum distance =  2.55789192805725 Angstroms
sigma value = 25


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

Energy: 0.9505138275525096
Energy: 0.7762207239440173
Energy: 0.6996844228364483
Energy: 0.7762207239440173
Energy: 0.8401980093515865
Energy: 0.5396316252866852
Energy: 0.5144746240916427
Energy: 0.5396316254528662
Energy: 0.8358107892751929
Energy: 0.5605044246982953
Energy: 0.5374496040905328
Energy: 0.5605044228312654
Energy: 0.6773272217878503
Energy: 0.6245644981235665
Energy: 0.7090460417808063
Energy: 0.6245644984367754
Energy: 0.8440958943732957
Energy: 0.6402169284512517
Energy: 0.742414617748401
Energy: 0.6402169284512517
Energy: 0.6298338350251433
Energy: 0.6512481713611693
Energy: 0.7177846051858412
Energy: 0.6512481713604031
Energy: 0.6927440064135117
Energy: 0.6358912272541588
Energy: 0.7804557839903944
Energy: 0.6358912272533926
Energy: 0.6920795720708719
Energy: 0.684142876540855
Energy: 0.8245072172768744
Energy: 0.6841428765400889
Energy: 0.5529427930791538
Energy: 0.5378522005259028
Energy: 0.8968303844226406
Energy: 0.5378522005266689
Energy: 0.5503661035386218
Energy: 0.5363472227501119
Energy: 0.8943227855458449
Energy: 0.5363472227501119
Energy: 0.733876197511597
Energy: 0.7753085112104915
Energy: 0.8050628074524957
Energy: 0.7753085112097254
Energy: 0.4899876132209487
Energy: 0.5304267679510879
Energy: 0.784043714258615
Energy: 0.5304267679510879
Energy: 0.46793064317911875
Energy: 0.4742564569264203
Energy: 0.9442001509632337
Energy: 0.47425645692718643
Energy: 0.6632621445713545
Energy: 0.5263677211456853
Energy: 0.8852642848987443
Energy: 0.526367721000956
Energy: 0.576263607105711
Energy: 0.5807297609364183
Energy: 0.8373022014809851
Energy: 0.5807297609356521
Energy: 0.538986755452614
Energy: 0.5927688223548817
Energy: 0.8653093100951055
Energy: 0.5927688223541157
Energy: 0.7103553473592266
Energy: 0.6202557316549913
Energy: 0.895058616763216
Energy: 0.6202557316549913
Energy: 0.5688639165662839
Energy: 0.6334943109065683
Energy: 0.834188780042669
Energy: 0.6334943109073345
Energy: 0.7343734693418704
Energy: 0.618719557766977
Energy: 0.6996954037212628
Energy: 0.618719557766977
Energy: 0.811713556198364
Energy: 0.6312362725483355
Energy: 0.6504710910073113
Energy: 0.6312362725475693
Energy: 0.8106977908504187
Energy: 0.746142981997837
Energy: 0.6696974391888273
Energy: 0.746142981997837
Energy: 0.8871384837716699
Energy: 0.5589484839935859
Energy: 0.4744060875309203
Energy: 0.5589484839928198
Energy: 0.9394797140073683
Energy: 0.5711167748386027
Energy: 0.5251610886085788
Energy: 0.5711167748386027
Energy: 0.8123719586155588
Energy: 0.550261076221395
Energy: 0.6128726596892377
Energy: 0.5502610766311017
Energy: 0.9175311490318223
Energy: 0.48140369015939993
Energy: 0.4302645934196231
Energy: 0.48140369015939993
Energy: 0.8404197299526839
Energy: 0.4710204183576441
Energy: 0.4602926029387145
Energy: 0.47102045828223144

minimum gb energy = 0.4302645934196231 eV
minimum distance =  2.55985132423188 Angstroms
sigma value = 41


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

Energy: 1.0081885473806993
Energy: 0.7728591697730397
Energy: 0.6803548146237304
Energy: 0.7728591697742958
Energy: 0.8668200610991181
Energy: 0.524222958548019
Energy: 0.463113356420596
Energy: 0.5242229585486472
Energy: 0.8611136780961132
Energy: 0.5054845155319149
Energy: 0.4929914395255914
Energy: 0.5054845155306587
Energy: 0.7703097156147496
Energy: 0.6334192624283502
Energy: 0.7520106264016561
Energy: 0.6334192624289783
Energy: 0.7886394792466541
Energy: 0.5806960459443175
Energy: 0.6737279924221422
Energy: 0.5806960459418051
Energy: 0.7104746460837534
Energy: 0.6021003012805747
Energy: 0.612956070059257
Energy: 0.6021003012805747
Energy: 0.776020975657567
Energy: 0.6250920913654863
Energy: 0.853663053853961
Energy: 0.6250920913654863
Energy: 0.7402074998264159
Energy: 0.6214657711867033
Energy: 0.6586696567360674
Energy: 0.6214657711854472
Energy: 0.5637594262720275
Energy: 0.6024347624320615
Energy: 0.8066199990213514
Energy: 0.6024347624320615
Energy: 0.5388919345959845
Energy: 0.5836171031204673
Energy: 0.8512563692025251
Energy: 0.5836171031204673
Energy: 0.5120069413131261
Energy: 0.7222344208057763
Energy: 0.8813406119072851
Energy: 0.7222344208051481
Energy: 0.48849749054323494
Energy: 0.503158839367648
Energy: 0.9563574705875586
Energy: 0.5031588393651357
Energy: 0.464032879529523
Energy: 0.5239523717754705
Energy: 0.9339920035022624
Energy: 0.5239523717754705
Energy: 0.5824770690894541
Energy: 0.46308080207094526
Energy: 0.8712005169542909
Energy: 0.46308087312495017
Energy: 0.3978166051721451
Energy: 0.43096571542270395
Energy: 0.9258938477610308
Energy: 0.43096571566126884
Energy: 0.4180241537494704
Energy: 0.4449430942611116
Energy: 0.8852299298861351
Energy: 0.4449430942466652
Energy: 0.4776226130176331
Energy: 0.5028410387008124
Energy: 0.951885542048684
Energy: 0.5028410382023272
Energy: 0.4841979751816868
Energy: 0.5127520556119253
Energy: 0.8607012039944879
Energy: 0.5127520556106692
Energy: 0.46657333928861516
Energy: 0.6079022939341002
Energy: 0.7365456693053433
Energy: 0.6079022939322158
Energy: 0.61142240905495
Energy: 0.6181810371154003
Energy: 0.7286403667554138
Energy: 0.6181810371154003
Energy: 0.6700588147810044
Energy: 0.5928569431299813
Energy: 0.7849317786608668
Energy: 0.5928569431293532
Energy: 0.6157529764364212
Energy: 0.6300492034127878
Energy: 0.7603528782917746
Energy: 0.6300492034127878
Energy: 0.7921326857568517
Energy: 0.6025603060613298
Energy: 0.703075815852787
Energy: 0.6025603060619579
Energy: 0.6539805719216413
Energy: 0.6278885684114066
Energy: 0.6525087579735066
Energy: 0.6278885684114066
Energy: 0.7750491467227016
Energy: 0.6093903753594645
Energy: 0.5537495992315035
Energy: 0.6093903753594645
Energy: 0.7859061050286416
Energy: 0.5957255995281834
Energy: 0.6162056636303125
Energy: 0.5957255995281834
Energy: 0.8635720057739456
Energy: 0.5421049148415161
Energy: 0.48762125175049714
Energy: 0.5421049143989034
Energy: 0.8525318587820508
Energy: 0.5059858272962087
Energy: 0.47915463196371355
Energy: 0.5059858272968368
Energy: 0.8743062942696304
Energy: 0.5118338652046703
Energy: 0.4803864012917318
Energy: 0.5118338651362356
Energy: 0.836173904383746
Energy: 0.4403459157856061
Energy: 0.4079136583149931
Energy: 0.4403459157774693
Energy: 0.9346852542205638
Energy: 0.43621338027952755
Energy: 0.40573158382245966
Energy: 0.4362133802770152
Energy: 0.9952125862687891
Energy: 0.5428555105733457
Energy: 0.5941678723152408
Energy: 0.542855510581511

minimum gb energy = 0.3978166051721451 eV
minimum distance =  2.57328728270013 Angstroms
sigma value = 15


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

Energy: 0.8564833768075187
Energy: 0.7605993772610107
Energy: 0.7000044194087213
Energy: 0.7605993772599464
Energy: 0.9036060615459025
Energy: 0.491148732514678
Energy: 0.42720082160134976
Energy: 0.4911487325130817
Energy: 0.9705815966007609
Energy: 0.45438586215536075
Energy: 0.4487978321938972
Energy: 0.45438586149851806
Energy: 0.8645076887364461
Energy: 0.5774100041050222
Energy: 0.7422688828311074
Energy: 0.5774100041188566
Energy: 0.8444747887842157
Energy: 0.5321947032301803
Energy: 0.5937104831746021
Energy: 0.5321947032312444
Energy: 0.8244576855518871
Energy: 0.5675295237601646
Energy: 0.5535541381282864
Energy: 0.5675295237591005
Energy: 0.6768496423710927
Energy: 0.5849373944941195
Energy: 0.8062233279189643
Energy: 0.5849373944941195
Energy: 0.7986255662208217
Energy: 0.598472490831894
Energy: 0.5848593254019611
Energy: 0.5984724908324262
Energy: 0.6652635827557182
Energy: 0.5624350196467177
Energy: 0.7390586938293872
Energy: 0.5624350196461856
Energy: 0.6359979966492709
Energy: 0.5660152529326625
Energy: 0.8022981409827485
Energy: 0.5660152529326625
Energy: 0.666182206360345
Energy: 0.6607517445971635
Energy: 0.7884600767938356
Energy: 0.6607517445966312
Energy: 0.5094915325808588
Energy: 0.5531991481399765
Energy: 0.8528647591623686
Energy: 0.5531991481399765
Energy: 0.5576807674211185
Energy: 0.5417849709774688
Energy: 0.8430639233051488
Energy: 0.5417849709764047
Energy: 0.45719784176461453
Energy: 0.5978591597587077
Energy: 0.7671961710675183
Energy: 0.597859159760836
Energy: 0.4471186762889186
Energy: 0.46179732992955397
Energy: 0.9681224700752721
Energy: 0.4617973299258294
Energy: 0.43713751298561715
Energy: 0.4147200056552641
Energy: 0.8421879209851557
Energy: 0.4147200058036209
Energy: 0.4015446041334081
Energy: 0.5142563632963653
Energy: 0.857712438571876
Energy: 0.5142563632963653
Energy: 0.36934157464853146
Energy: 0.4162481858879135
Energy: 0.9671536841659458
Energy: 0.41624818588844564
Energy: 0.39884241250432345
Energy: 0.47413271690826775
Energy: 0.7829687462054554
Energy: 0.4741327169173133
Energy: 0.43774861524551834
Energy: 0.4899940565563387
Energy: 0.9519674851926764
Energy: 0.489994056552082
Energy: 0.44068963055993515
Energy: 0.46824377729754574
Energy: 0.898507974591834
Energy: 0.46824377729914196
Energy: 0.5066643539013892
Energy: 0.5990593692036945
Energy: 0.8597373532563994
Energy: 0.5990593692036945
Energy: 0.5653653152657119
Energy: 0.5551065261811801
Energy: 0.7857577985410334
Energy: 0.5551065261822443
Energy: 0.5993860851683152
Energy: 0.5406809356892492
Energy: 0.838303522398277
Energy: 0.5406809356892492
Energy: 0.5812224564091798
Energy: 0.6634539479382102
Energy: 0.6731183632952076
Energy: 0.6634539479376781
Energy: 0.7601171160775643
Energy: 0.5694949187802205
Energy: 0.7876220696391439
Energy: 0.5694949187807528
Energy: 0.5970896839166207
Energy: 0.56741074719783
Energy: 0.7079386963685782
Energy: 0.56741074719783
Energy: 0.7205521785679149
Energy: 0.6014333238509767
Energy: 0.6885521463249422
Energy: 0.601433323852573
Energy: 0.769860047730397
Energy: 0.5720266762632727
Energy: 0.7022907944469649
Energy: 0.5720266762638049
Energy: 0.7097622048560188
Energy: 0.5604331771219586
Energy: 0.5526982586163364
Energy: 0.5604331771214265
Energy: 0.8418443108082836
Energy: 0.5513773414001002
Energy: 0.49356628518010714
Energy: 0.5513773414006322
Energy: 0.7617740995860198
Energy: 0.5844026294554698
Energy: 0.7338906428035923
Energy: 0.5844026294570661
Energy: 0.8513385149249904
Energy: 0.4676324834176718
Energy: 0.4364984212978246
Energy: 0.46763248337515284
Energy: 0.907040878348696
Energy: 0.4852865887530172
Energy: 0.4215954296107826
Energy: 0.4852865887530172
Energy: 0.9579699038281337
Energy: 0.5990666751266903
Energy: 0.697239187103673
Energy: 0.5990666758085413
Energy: 0.905630381067155
Energy: 0.42760912192463335
Energy: 0.3850672832796491
Energy: 0.4276091219262296
Energy: 0.9124857348714666
Energy: 0.4334851085537416
Energy: 0.3943024432130668
Energy: 0.43348510855214534

minimum gb energy = 0.36934157464853146 eV
minimum distance =  2.58123617960433 Angstroms
sigma value = 85


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

Energy: 0.9562156444438834
Energy: 0.7299671332614467
Energy: 0.6585754504446796
Energy: 0.7299671332614467
Energy: 0.9521880265822428
Energy: 0.4528193604937859
Energy: 0.38604610640073245
Energy: 0.4528193604937859
Energy: 0.8506979986472468
Energy: 0.43791337917433476
Energy: 0.40002768989222987
Energy: 0.43791337917202733
Energy: 0.7914378396944386
Energy: 0.5077432526130056
Energy: 0.6776321802020246
Energy: 0.5077432526577487
Energy: 0.8707766017388269
Energy: 0.49158921131138344
Energy: 0.5230585855455776
Energy: 0.49158921131138344
Energy: 0.730787734321843
Energy: 0.515665068686199
Energy: 0.5408197369906925
Energy: 0.5156650686857375
Energy: 0.7925202312814216
Energy: 0.5339843146391705
Energy: 0.7025209436299625
Energy: 0.5339843146382475
Energy: 0.7679282003979073
Energy: 0.5435260846713016
Energy: 0.5506009939170696
Energy: 0.5435260846713016
Energy: 0.7566665905686228
Energy: 0.5174398417065343
Energy: 0.6466544366529438
Energy: 0.5174398417060727
Energy: 0.7567402904085115
Energy: 0.5146379467271995
Energy: 0.7833805831873757
Energy: 0.5146379467276608
Energy: 0.7573700500432974
Energy: 0.5866948578762927
Energy: 0.7125661504126017
Energy: 0.5866948578758313
Energy: 0.6416739663120806
Energy: 0.5110652511607341
Energy: 0.7826688358296784
Energy: 0.5110652511602725
Energy: 0.6440320808535254
Energy: 0.5069991042224988
Energy: 0.7910705987378284
Energy: 0.5069991042224988
Energy: 0.6133628023767435
Energy: 0.5434395836510584
Energy: 0.7133435518119184
Energy: 0.5434395836487511
Energy: 0.4796201220635698
Energy: 0.502000852336741
Energy: 0.8654116780933017
Energy: 0.5020008523362794
Energy: 0.5068057665157207
Energy: 0.4173152626497975
Energy: 0.8243787271969398
Energy: 0.4173152626525454
Energy: 0.43692158648963775
Energy: 0.5152067499565745
Energy: 0.8454088604067372
Energy: 0.5152067499574764
Energy: 0.39290258757159346
Energy: 0.40298664367171527
Energy: 0.9883559849177912
Energy: 0.40298664348997454
Energy: 0.416263726298345
Energy: 0.4294635834678731
Energy: 0.9473456176012626
Energy: 0.4294635833377976
Energy: 0.3704899276680217
Energy: 0.42072939333140924
Energy: 0.915799448387062
Energy: 0.4207293933300248
Energy: 0.35959350791522326
Energy: 0.4050842000286026
Energy: 1.0111907492718637
Energy: 0.4050842000286026
Energy: 0.40065384028160234
Energy: 0.5478794060177139
Energy: 0.906836461427587
Energy: 0.5478794060015619
Energy: 0.40797484290801944
Energy: 0.3790494520252002
Energy: 0.9403299956341983
Energy: 0.3790494520455055
Energy: 0.41615327998097396
Energy: 0.4557816807242737
Energy: 0.9418710900878082
Energy: 0.45578168072381225
Energy: 0.6826939055485823
Energy: 0.6764161732900819
Energy: 0.7903442043879656
Energy: 0.6764161732896202
Energy: 0.5197697645859917
Energy: 0.490247761007979
Energy: 0.9360154517191271
Energy: 0.49024776100844053
Energy: 0.5426625002691582
Energy: 0.47131048993921104
Energy: 0.8514476665309025
Energy: 0.47131048993967256
Energy: 0.7417892653111373
Energy: 0.6388034313684272
Energy: 0.7924320310795572
Energy: 0.6388034313688887
Energy: 0.654384834296551
Energy: 0.5018886958201147
Energy: 0.8707582969677643
Energy: 0.5018886958201147
Energy: 0.6558758703067545
Energy: 0.504194343511446
Energy: 0.7367931139301241
Energy: 0.504194343511446
Energy: 0.8019447448802458
Energy: 0.521649850285635
Energy: 0.6365418938029999
Energy: 0.521649850285635
Energy: 0.7162799957376486
Energy: 0.5364953063250506
Energy: 0.78571443309546
Energy: 0.5364953063250506
Energy: 0.784907283529276
Energy: 0.5062907850307987
Energy: 0.6390373726142748
Energy: 0.5062907850298757
Energy: 0.8330937023531789
Energy: 0.5040318626986454
Energy: 0.6244630297576543
Energy: 0.5040318626981841
Energy: 0.7131312186144325
Energy: 0.63565445143175
Energy: 0.713477852181174
Energy: 0.63565445143175
Energy: 0.8823604613490598
Energy: 0.4938160999461081
Energy: 0.52520877743981
Energy: 0.4938160999456466
Energy: 0.9101546690987607
Energy: 0.4804923235030384
Energy: 0.49924241836412925
Energy: 0.48049232387574947
Energy: 0.8704104158710345
Energy: 0.4299519235648581
Energy: 0.6367558859622974
Energy: 0.43417795821756816
Energy: 0.9909461301626697
Energy: 0.4308132031182425
Energy: 0.38638790256283745
Energy: 0.43081320311870397
Energy: 0.9229328569290418
Energy: 0.4420996734076577
Energy: 0.39991518583139934
Energy: 0.4420996734076577
Energy: 0.8596044535359824
Energy: 0.42433913702318526
Energy: 0.3805475676245741
Energy: 0.42433913596731015
Energy: 1.0035302892425657
Energy: 0.3853112722843973
Energy: 0.33101475120024937
Energy: 0.3853112722853203
Energy: 0.8618766168963722
Energy: 0.3829520411832019
Energy: 0.3654664683340378
Energy: 0.38295204137786426

minimum gb energy = 0.33101475120024937 eV
minimum distance =  2.56992029454648 Angstroms
sigma value = 113


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

Energy: 0.011764578549450467
Energy: 0.3230775341128028
Energy: 0.7300177296601136
Energy: 0.32307753411351237
Energy: 0.6312717405092629
Energy: 0.12451667606713053
Energy: 0.5742803089096399
Energy: 0.12451667619265816
Energy: 0.11152298146124966
Energy: 0.140440546297226
Energy: 0.5739644958067718
Energy: 0.14044055394601557
Energy: 0.012901762143344844
Energy: 0.11174581229194437
Energy: 0.7201451231363158
Energy: 0.11174581224478036
Energy: 0.5930053432834691
Energy: 0.11808344030477276
Energy: 0.5718020017138487
Energy: 0.11808326186961611
Energy: 0.03200796569348173
Energy: 0.13504997029594465
Energy: 0.5955698842594004
Energy: 0.1350499703070409

minimum gb energy = 0.011764578549450467 eV
minimum distance =  2.77330672218878 Angstroms
sigma value = 1