Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049994595348835
cohesive_energy=3.360264143322612
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.68087555026208e-19, 2.35348532298162e-19, 2.86972265622276e-19, 3.26738289678156e-19, 3.5887154424966e-19, 3.8687919398861397e-19, 4.1120824617590397e-19, 4.3076761852377597e-19, 4.4648176695004795e-19, 4.59767015599176e-19, 4.7150456161986e-19, 4.821029600537699e-19, 4.91687180678358e-19, 5.002796539665e-19, 5.0793805827702e-19, 5.14716867615474e-19, 5.20633705924836e-19, 5.25685368851838e-19, 5.29859038983408e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.3804295722988e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.37112092605526e-19, 5.355083137948919e-19, 5.331547163195459e-19, 5.29905502105794e-19, 5.25509129422098e-19, 5.19589086759468e-19, 5.1162626888848795e-19, 5.0109676404984e-19, 4.87595221555122e-19, 4.70906949735378e-19, 4.507707937992659e-19, 4.26690078990246e-19, 3.9780443645585994e-19, 3.6269593987501796e-19, 3.19203252968454e-19, 2.6457864280885797e-19, 1.96309896434118e-19, 1.127208166497432e-19, 9.67453532144658e-21, -1.2085971373279978e-19, -2.82970028390544e-19, -4.77062512363206e-19, -7.178488321571639e-19, -1.0440888449021459e-18, -1.517592922961238e-18, -2.23654245046596e-18, -3.46292855496126e-18, -5.8276451361472196e-18, -1.1163694415684217e-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: -5.87828410947289e-10 eV

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

Energy: 0.0126452618242581
Energy: 0.014875489163015175
Energy: 0.4638379133358457
Energy: 0.5234220433472871
Energy: 0.524912833423076
Energy: 0.19206352436396407
Energy: 0.01430080324588104
Energy: 0.013033964981067833
Energy: 0.4212470762293284
Energy: 0.16133824778634198
Energy: 0.3190713134452494
Energy: 0.4214831457019279
Energy: 0.012937617222977591
Energy: 0.06726011616620921
Energy: 0.01298595781556676
Energy: 0.42234942278921084
Energy: 0.17926384313091537
Energy: 0.3189770937210655
Energy: 0.4212109500189991
Energy: 0.0669495994695255
Energy: 0.06870697387623667
Energy: 0.01428512466735993
Energy: 0.3243854289208352
Energy: 0.3189892793467497
Energy: 0.5236511405149766
Energy: 0.5256624509941109
Energy: 0.06703976555769019
Energy: 0.014083616106402332
Energy: 0.0669040134286159
Energy: 0.5251321953417413
Energy: 0.16141283873114973
Energy: 0.3209146300266141
Energy: 0.3194169393364961
Energy: 0.013116913016868204
Energy: 0.06691204367768412
Energy: 0.012929952314862958
Energy: 0.363872685008639
Energy: 0.2579526531119815
Energy: 0.3192323931923022
Energy: 0.42064066421046875
Energy: 0.066905106507535
Energy: 0.06852545413191678

minimum gb energy = 0.0126452618242581 eV
minimum distance =  2.83604608593365 Angstroms
sigma value = 5


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

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Energy: 0.6615151445783888
Energy: 0.6354296669855142
Energy: 0.5781476275837888
Energy: 0.650592415600391
Energy: 0.6036097630120332
Energy: 0.6522888262699509
Energy: 0.548188146831951
Energy: 0.6309413591673048
Energy: 0.5544975237580441
Energy: 0.651399164454109
Energy: 0.6235157346167559
Energy: 0.5979299267355412
Energy: 0.6366206042531445
Energy: 0.62127176244868
Energy: 0.6811192975468163
Energy: 0.6621812266579742
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Energy: 0.6688719399830046
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Energy: 0.636314372541628
Energy: 0.5823343289178475
Energy: 0.7021094531704155
Energy: 0.627885998601897
Energy: 0.654621788618789
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Energy: 0.6627935271653735
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Energy: 0.5730030490875937
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Energy: 0.5867549982143636
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Energy: 0.6427868023898313
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Energy: 0.6109383238064855
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Energy: 0.5674011542116014
Energy: 0.5825754163097607
Energy: 0.6128019671085919
Energy: 0.620536373850673
Energy: 0.6854411547924947
Energy: 0.6170723057439057
Energy: 0.6075445998057374
Energy: 0.6205998523521653
Energy: 0.6165604092901676
Energy: 0.609251705934785
Energy: 0.550710147624269
Energy: 0.6527469935487347
Energy: 0.5934340248127715
Energy: 0.5984217924038516
Energy: 0.6328834048793971
Energy: 0.6008364716025358
Energy: 0.6867049360409073
Energy: 0.6390260311316541
Energy: 0.6427121273264088
Energy: 0.6212956125664482
Energy: 0.6549231335818895
Energy: 0.6988798495368755
Energy: 0.6597905962660314
Energy: 0.6259095013659048
Energy: 0.5564010507713582
Energy: 0.6459875580251533
Energy: 0.5817020168599392
Energy: 0.7144047623437539
Energy: 0.6429823018086748
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Energy: 0.6120198574739398
Energy: 0.5662916234854584
Energy: 0.6515092122386091
Energy: 0.5905296651355393
Energy: 0.6498234265515159

minimum gb energy = 0.5308795180537356 eV
minimum distance =  2.54500866874733 Angstroms
sigma value = 401


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

Energy: 0.6330560239691251
Energy: 0.6429553073531475
Energy: 0.6176006837834105
Energy: 0.5484830881905374
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Energy: 0.5539786858666124
Energy: 0.5728987256475675
Energy: 0.602944537629812
Energy: 0.649021712652133
Energy: 0.5376136860195972
Energy: 0.6018792774846847
Energy: 0.5501746794573911
Energy: 0.5538614754025591
Energy: 0.5892514933838138
Energy: 0.6455619898782615
Energy: 0.6886385998418676
Energy: 0.6077198589246131
Energy: 0.5875575722626716
Energy: 0.6112017872052239
Energy: 0.5639750453282747
Energy: 0.662370694037808
Energy: 0.5666491075634092
Energy: 0.587073945952369
Energy: 0.5901194310131437
Energy: 0.564813679211298
Energy: 0.6803516746073226
Energy: 0.5972050139750077
Energy: 0.6154696990577457
Energy: 0.5658405381666229
Energy: 0.5892032823560036
Energy: 0.5699334968450744
Energy: 0.5928317152674262
Energy: 0.6471270770468133
Energy: 0.5546392831797764
Energy: 0.5884473703938197
Energy: 0.559577272449234
Energy: 0.5626517469400795
Energy: 0.5635090293977525
Energy: 0.5709370479080658
Energy: 0.6677672333622342
Energy: 0.565676161118337
Energy: 0.5982547515412874
Energy: 0.5593304789435599
Energy: 0.5628721784331253
Energy: 0.6078595452033169
Energy: 0.6306548846976612
Energy: 0.6377827070478161
Energy: 0.6191058198240132
Energy: 0.6003320269740738
Energy: 0.5664787463665701
Energy: 0.5732729200926111
Energy: 0.5519289756857062
Energy: 0.5850026630649454
Energy: 0.5893548448914593
Energy: 0.6088080368765879
Energy: 0.6216318719903854
Energy: 0.6672056911753979
Energy: 0.6734271249264363
Energy: 0.6150001982119204
Energy: 0.6537692549090783
Energy: 0.5963915226385658
Energy: 0.5749999504159644
Energy: 0.644989227504557
Energy: 0.5884657085162015
Energy: 0.658926860453908
Energy: 0.5629790639211643
Energy: 0.5932469229477852
Energy: 0.5520947631242958
Energy: 0.5818990208577127
Energy: 0.6141065481167782
Energy: 0.6178625684715455
Energy: 0.579042534027673
Energy: 0.6002959461785126
Energy: 0.5805650752662069
Energy: 0.558125202390526
Energy: 0.6701138187206562
Energy: 0.5750277050004141
Energy: 0.5730318668912784
Energy: 0.663392013108051
Energy: 0.5384034101227821
Energy: 0.545125916614796
Energy: 0.5528718715449381
Energy: 0.5557955499765604
Energy: 0.6203296635255101
Energy: 0.6535655462891556
Energy: 0.6799838975429885
Energy: 0.5865576654061649
Energy: 0.6037587662773387
Energy: 0.595896207602512
Energy: 0.5646505605155866
Energy: 0.6578422864454654
Energy: 0.5718219506902529
Energy: 0.6081066873354075
Energy: 0.6540860017638245
Energy: 0.590995099097935
Energy: 0.6475589231789376
Energy: 0.5890365042791355
Energy: 0.6128134851361297
Energy: 0.5519828286498317
Energy: 0.5889785296768225
Energy: 0.5565173086788195
Energy: 0.5946434505889404
Energy: 0.6628987678949623
Energy: 0.6282183440491441
Energy: 0.593925993868907
Energy: 0.5575546429317704
Energy: 0.5581041787177146
Energy: 0.5564047918532933
Energy: 0.5828213154444947
Energy: 0.7025973486047234
Energy: 0.5849531813372253
Energy: 0.5760445250242547

minimum gb energy = 0.5376136860195972 eV
minimum distance =  2.55954401492076 Angstroms
sigma value = 311


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

Energy: 0.6284436642981784
Energy: 0.591265062078939
Energy: 0.5944911401575469
Energy: 0.588025012922949
Energy: 0.6356089514923855
Energy: 0.5879208069901953
Energy: 0.5714907781226432
Energy: 0.5671349695545023
Energy: 0.5796244315227912
Energy: 0.5645606438539392
Energy: 0.5943309031648971
Energy: 0.6014423163533911
Energy: 0.6215140288057804
Energy: 0.6945181410684719
Energy: 0.5586444443996692
Energy: 0.6320341665183938
Energy: 0.6099012459661197
Energy: 0.6092501510600536
Energy: 0.6373323327869665
Energy: 0.5747933297450823
Energy: 0.6434460878906957
Energy: 0.5550929276178783
Energy: 0.6258622694695416
Energy: 0.5765443883602801
Energy: 0.6441069084450315
Energy: 0.5811097504994991
Energy: 0.5636462579142619
Energy: 0.5974297206779576
Energy: 0.5834899761777764
Energy: 0.5852469401866277
Energy: 0.5842737515556549
Energy: 0.5946514388383222
Energy: 0.5766407735286179
Energy: 0.5583541066461292
Energy: 0.5993853150617948
Energy: 0.5574634317635384
Energy: 0.6027795628196178
Energy: 0.5669838467740181
Energy: 0.5890706479683917
Energy: 0.5538311848900023
Energy: 0.5492598504981735
Energy: 0.5969083690510638
Energy: 0.5909640347963601
Energy: 0.6381611665084048
Energy: 0.600763591582883
Energy: 0.5780673353447332
Energy: 0.6334018938822367
Energy: 0.5939179310128914
Energy: 0.6085229476597805
Energy: 0.583754961992531
Energy: 0.6065412218488002
Energy: 0.583625158446985
Energy: 0.607652793196226
Energy: 0.6086643525865707
Energy: 0.5817806486119502
Energy: 0.6443500468489534
Energy: 0.6023557248531557
Energy: 0.6173161491760192
Energy: 0.5942470438707428
Energy: 0.602163616719279
Energy: 0.6120947118388276
Energy: 0.5501238635825221
Energy: 0.6101292941171028
Energy: 0.550381066196561
Energy: 0.5966579562814195
Energy: 0.552424760310256
Energy: 0.5995370660964752
Energy: 0.578348444379356
Energy: 0.5737642814561588
Energy: 0.6099109771928536
Energy: 0.5756505069052563
Energy: 0.5774430223094065
Energy: 0.5727862416485157
Energy: 0.606808749807408
Energy: 0.5918728686575749
Energy: 0.6225106388408265
Energy: 0.6077650114426822
Energy: 0.5808853254065908
Energy: 0.6058156601960771
Energy: 0.569125090748198
Energy: 0.6140625317712001
Energy: 0.5814681724970069
Energy: 0.5535729396192436
Energy: 0.595100755133893
Energy: 0.5985970369077499
Energy: 0.598440557491603
Energy: 0.5925837966576774
Energy: 0.5954825183217138
Energy: 0.6410850209575881
Energy: 0.6005333935204802
Energy: 0.6378838552379336
Energy: 0.5868254778023096
Energy: 0.6062312030713504
Energy: 0.6018157194924955
Energy: 0.6128969904558764
Energy: 0.6247937224874341
Energy: 0.5925022960734175
Energy: 0.6585839620636795
Energy: 0.5926646589687486
Energy: 0.6212588713515927
Energy: 0.5828658836399024
Energy: 0.5885067416772205
Energy: 0.6089102092327012
Energy: 0.5517492802012345
Energy: 0.6110932741252479
Energy: 0.5662973731269435
Energy: 0.6204477906221253
Energy: 0.6155576950321137
Energy: 0.5776620078028318
Energy: 0.5867658017560473
Energy: 0.5449433667233468
Energy: 0.5915544365609825
Energy: 0.5723769184964024
Energy: 0.5686938955093978
Energy: 0.5815193472693946
Energy: 0.6495628849098276
Energy: 0.5908036372521984
Energy: 0.5330224630530025
Energy: 0.5482660545822943
Energy: 0.5617852981187499
Energy: 0.5823320856694697
Energy: 0.5558268992632244
Energy: 0.581719659253426
Energy: 0.5761931267677421
Energy: 0.5608995837419265
Energy: 0.5926383271829277
Energy: 0.6004161811281233
Energy: 0.5885752296103367
Energy: 0.5936554149843368
Energy: 0.610173734017257
Energy: 0.5978244580180863
Energy: 0.6163156998650169
Energy: 0.6160002618174639
Energy: 0.5871035334277914
Energy: 0.6142023109483868
Energy: 0.5809542920952186
Energy: 0.5945713889494249
Energy: 0.6420819891537802
Energy: 0.6012423278082185
Energy: 0.6425670519628642
Energy: 0.5908456491241111
Energy: 0.6074397651352975
Energy: 0.586398847058001
Energy: 0.6292533811200997
Energy: 0.6122150179888151
Energy: 0.5945884026714087
Energy: 0.6405826586138803
Energy: 0.5594605805224551
Energy: 0.6376802951960889
Energy: 0.5717547024046439
Energy: 0.6136172718267224
Energy: 0.5866347106367342
Energy: 0.5688595488521904
Energy: 0.5740617844240941
Energy: 0.5667574008854491
Energy: 0.6011287811092448
Energy: 0.5883397743631805
Energy: 0.652397703079141
Energy: 0.5662160690700476
Energy: 0.6508219482187709
Energy: 0.5837391965604688
Energy: 0.5780438858103454
Energy: 0.584610928969927
Energy: 0.5576236976023733
Energy: 0.5840050731037765
Energy: 0.600104865392014
Energy: 0.5569352139687216
Energy: 0.6166581971984605
Energy: 0.5921197615155289
Energy: 0.5685920466183135
Energy: 0.6017495873597088
Energy: 0.6071586832160288
Energy: 0.6086528256604717
Energy: 0.6134327806249875
Energy: 0.6431607959171116
Energy: 0.598270444608194
Energy: 0.6137662012192806
Energy: 0.5986907121629257
Energy: 0.600260310142981
Energy: 0.6354123466976583
Energy: 0.5873640639051605
Energy: 0.6491348842396432
Energy: 0.5679762676404648
Energy: 0.609122476196345
Energy: 0.5770866560754778
Energy: 0.6169980925604972
Energy: 0.6083632107650951
Energy: 0.5992200930846617
Energy: 0.6327929215443121
Energy: 0.5714670051857521
Energy: 0.5734260679745554
Energy: 0.5625430905918296
Energy: 0.5853508594731807
Energy: 0.6044356945652308
Energy: 0.5617029226313117
Energy: 0.5833951789605413
Energy: 0.5701637611096533
Energy: 0.5952557112088527
Energy: 0.5753185246920645
Energy: 0.6248932015402401
Energy: 0.5718756175841935
Energy: 0.6102371441271923
Energy: 0.5645537785835767
Energy: 0.5791992408913148
Energy: 0.6333157932367479
Energy: 0.6057258180051645
Energy: 0.6064615928865372
Energy: 0.574510712690985
Energy: 0.5796047327974867
Energy: 0.5848944323287169
Energy: 0.6009947281676076
Energy: 0.623594501857026
Energy: 0.5865634391064986
Energy: 0.5993912961159263
Energy: 0.5782567038868055
Energy: 0.5687418023163676
Energy: 0.6214458573273647
Energy: 0.590495632962456
Energy: 0.6057350541090203
Energy: 0.580825451826977
Energy: 0.6142728309970523
Energy: 0.6230645969916351
Energy: 0.5827549381761968
Energy: 0.6500803900808629
Energy: 0.5766213683103193
Energy: 0.60659261609523
Energy: 0.5803553866847636
Energy: 0.6395440422734802
Energy: 0.6288361779327891
Energy: 0.5673834958593295
Energy: 0.5709916310861323
Energy: 0.5922165522743853
Energy: 0.5944783147298032
Energy: 0.5979854544379077
Energy: 0.6066965393423734
Energy: 0.5906995738660581
Energy: 0.5479976038699701
Energy: 0.5919010896694236
Energy: 0.5654152705774815
Energy: 0.5931360937977109
Energy: 0.5769975854874587
Energy: 0.6469500397660107
Energy: 0.5840387936239385
Energy: 0.6691758716793943
Energy: 0.6014094453619021
Energy: 0.5874845784654447
Energy: 0.6019013244520911
Energy: 0.5806091955948746
Energy: 0.6127483242712297
Energy: 0.5900442858234557
Energy: 0.5801627746937968
Energy: 0.5896463350342631

minimum gb energy = 0.5330224630530025 eV
minimum distance =  2.55519921154615 Angstroms
sigma value = 39


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

Energy: 0.5178470625676926
Energy: 0.5225600688894819
Energy: 0.5617255591630778
Energy: 0.6209377786726455
Energy: 0.5786275847392215
Energy: 0.5787631123804979
Energy: 0.5065017955703952
Energy: 0.49690615323292403
Energy: 0.5669375895944844
Energy: 0.5759504351961806
Energy: 0.569523451516795
Energy: 0.577257337564004
Energy: 0.5336057661290817
Energy: 0.7038665702932807
Energy: 0.5317911271878792
Energy: 0.5450359997857168
Energy: 0.572682487829512
Energy: 0.5886409629555733
Energy: 0.5755617885759009
Energy: 0.5326579497376144
Energy: 0.5345394680744302
Energy: 0.5483327326699243
Energy: 0.5793316776560863
Energy: 0.5845930674472297
Energy: 0.5854535614712598
Energy: 0.591653286256128
Energy: 0.5787271061353203
Energy: 0.6392379860688787
Energy: 0.5447349169034225
Energy: 0.5548666873932974
Energy: 0.5735185981992051
Energy: 0.5617811807193748
Energy: 0.6360615751534482
Energy: 0.5925199326863847
Energy: 0.5318047916575737
Energy: 0.4971000371108242
Energy: 0.5534680658975462
Energy: 0.5505570165659113
Energy: 0.5931469358508856
Energy: 0.5804722919465074
Energy: 0.5324897063062677
Energy: 0.5321385889481597
Energy: 0.5446322378125632
Energy: 0.5532058659962719
Energy: 0.5495721711791336
Energy: 0.7098950204575101
Energy: 0.5072529648609964
Energy: 0.5080557485846867
Energy: 0.5424367109205025
Energy: 0.49599334844363424
Energy: 0.5797203778114814
Energy: 0.6830599714750378
Energy: 0.5922947168881391
Energy: 0.5930211756060263
Energy: 0.5792497512342576
Energy: 0.5324054367229033
Energy: 0.49672748996745686
Energy: 0.5795442399980133
Energy: 0.6813090843403963
Energy: 0.5521979831242577
Energy: 0.5694125565857592
Energy: 0.5796524105204924
Energy: 0.5323448658630584
Energy: 0.5838295603080819
Energy: 0.5859090768062302
Energy: 0.5782943125511175
Energy: 0.5933302901374714
Energy: 0.5760518548635839
Energy: 0.5325458217331138
Energy: 0.5324546802106647
Energy: 0.5440173602428995
Energy: 0.5497745724976463
Energy: 0.579495066011388
Energy: 0.5456385108907188
Energy: 0.5784388934700104
Energy: 0.5465683966641826
Energy: 0.577206244488304
Energy: 0.5481902124947281
Energy: 0.5577956203574238
Energy: 0.5763794353638432
Energy: 0.569865590357235
Energy: 0.5704795297206806
Energy: 0.5700712036915444
Energy: 0.5488281586300183
Energy: 0.5092227756051187
Energy: 0.5768515536191021
Energy: 0.6071192145005186
Energy: 0.581378115451756
Energy: 0.5919249788144819
Energy: 0.5759476554661004
Energy: 0.5322118860470119
Energy: 0.5693602647707781
Energy: 0.5450577963463333
Energy: 0.5638871412517775
Energy: 0.6389824557493865
Energy: 0.5067213782214323
Energy: 0.5067970994348235
Energy: 0.5431860777646069
Energy: 0.4967611324974842
Energy: 0.585322981554664
Energy: 0.5493223958821261
Energy: 0.6449015177769375
Energy: 0.5067593974334933
Energy: 0.4971134563683721
Energy: 0.5334659783499249
Energy: 0.5178858101517455
Energy: 0.5775813697498279
Energy: 0.5486938800820658
Energy: 0.5621117260179918
Energy: 0.5785614158161517
Energy: 0.5799658251880944
Energy: 0.5065929595719705
Energy: 0.5317098245687213
Energy: 0.5680361053005019
Energy: 0.5758337176251916
Energy: 0.569736659831161
Energy: 0.5773867459026251
Energy: 0.5333026158367626
Energy: 0.6895058516433483
Energy: 0.5317631262252055
Energy: 0.5450152463020469
Energy: 0.5726756208793267
Energy: 0.5881917553319308
Energy: 0.5756181474488076
Energy: 0.5326157173863448
Energy: 0.5343994470282469
Energy: 0.5480684658687732
Energy: 0.5786713749872864
Energy: 0.5767274300332783
Energy: 0.5782283801921861
Energy: 0.5917410492235311
Energy: 0.5776861355205609
Energy: 0.6389295941721654
Energy: 0.5448743908416475
Energy: 0.5544787263978431
Energy: 0.5726186045142925
Energy: 0.5618817299178372
Energy: 0.6362825494800598
Energy: 0.5925780879154414
Energy: 0.5320967451542812
Energy: 0.4968310319617102
Energy: 0.5540283138895684
Energy: 0.5505001768825941
Energy: 0.593209202490221
Energy: 0.5812797287397992
Energy: 0.4975181036863486
Energy: 0.5322902914950478
Energy: 0.5676043716586904
Energy: 0.5521826659281699
Energy: 0.549405160990033
Energy: 0.6411451095093178
Energy: 0.5078841885757275
Energy: 0.5082911992542937
Energy: 0.5425017150669506
Energy: 0.4964328663237698
Energy: 0.5819987613779656
Energy: 0.6867451897737292
Energy: 0.5922108449918434
Energy: 0.592589433142456
Energy: 0.5804517593517386
Energy: 0.532431553962805
Energy: 0.4969205781739591
Energy: 0.5796305296032144
Energy: 0.681167339235039
Energy: 0.552040897330485
Energy: 0.5696741591361708
Energy: 0.5792514628878214
Energy: 0.5321710619409745
Energy: 0.5839287134852552
Energy: 0.5562038769257889
Energy: 0.5785478209579777
Energy: 0.5931181255779185
Energy: 0.5760146679759703
Energy: 0.5326183997742658
Energy: 0.5325094057042726
Energy: 0.5437621338946971
Energy: 0.5499457935937593
Energy: 0.5870520240814487
Energy: 0.5458638499444427
Energy: 0.580719781752835
Energy: 0.5785912429682344
Energy: 0.5768034638942751
Energy: 0.5511134277412749
Energy: 0.5551876429700248
Energy: 0.5760192058104069
Energy: 0.5693765586189846
Energy: 0.5683529975078163
Energy: 0.5699437009787034
Energy: 0.5482320927483032
Energy: 0.5092463993747884
Energy: 0.5768703846567841
Energy: 0.6074707068605018
Energy: 0.5813877895258177
Energy: 0.5918115103306424
Energy: 0.5757545887887857
Energy: 0.5322961411259841
Energy: 0.569149791935922
Energy: 0.5449352614566781
Energy: 0.5638510030573965
Energy: 0.639467320505627
Energy: 0.506848329478373
Energy: 0.4964793968714286
Energy: 0.5433197364418577
Energy: 0.49683642811982875
Energy: 0.5852430975455862
Energy: 0.5492068255553455
Energy: 0.5923010719376203
Energy: 0.5067477294269261
Energy: 0.4974000250605071
Energy: 0.5332696166403951

minimum gb energy = 0.49599334844363424 eV
minimum distance =  2.57206175408085 Angstroms
sigma value = 21


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

Energy: 0.6965833381850399
Energy: 0.6343330051056957
Energy: 0.529801233080065
Energy: 0.7560503102815178
Energy: 0.5764154491603396
Energy: 0.5854193013303496
Energy: 0.6324721466299084
Energy: 0.5352291029716248
Energy: 0.6129127072890661
Energy: 0.5882212059549496
Energy: 0.5826171776428356
Energy: 0.697135819701547
Energy: 0.6511357120520861
Energy: 0.6031576754983438
Energy: 0.5999959622873413
Energy: 0.5861959246471239
Energy: 0.6269572836498779
Energy: 0.5391262505958236
Energy: 0.58927360247318
Energy: 0.5450653294460289
Energy: 0.6541817096783383
Energy: 0.6573801539652911
Energy: 0.5964520851059248
Energy: 0.577659321093623
Energy: 0.5897543293040899
Energy: 0.5901743790170627
Energy: 0.5810357232540679
Energy: 0.6212609283287647
Energy: 0.5450444089079838
Energy: 0.584856502539014
Energy: 0.5769241715325648
Energy: 0.5353146970675159
Energy: 0.5935299451622413
Energy: 0.5490021733164487
Energy: 0.5282311860837245
Energy: 0.5242571871306273
Energy: 0.5504135572496064
Energy: 0.6111269503902087
Energy: 0.6429791578085033
Energy: 0.5162072500216863
Energy: 0.5533068188338932
Energy: 0.5959428471172584
Energy: 0.5958238829881346
Energy: 0.580102327240315
Energy: 0.528392607662168
Energy: 0.574279787286184
Energy: 0.5260088360968161
Energy: 0.5495317370915982
Energy: 0.6072069275395886
Energy: 0.6001718415829752
Energy: 0.5843293715906104
Energy: 0.5601605269931584
Energy: 0.5911116965984524
Energy: 0.6186662070692392
Energy: 0.5563987976574462
Energy: 0.565869353048487
Energy: 0.5305368962187264
Energy: 0.5973406083392196
Energy: 0.6274757958489484
Energy: 0.638144713246173
Energy: 0.5719864223733528
Energy: 0.6454144662762806
Energy: 0.5510908745387314
Energy: 0.6483476494985351
Energy: 0.642806545621017
Energy: 0.5303442619629126
Energy: 0.6470690044554399
Energy: 0.5539115706457045
Energy: 0.5300780052623013
Energy: 0.6103182602764764
Energy: 0.5452660816538822
Energy: 0.614600575920772
Energy: 0.5390093180480472
Energy: 0.6532702203929709
Energy: 0.5186437080268909
Energy: 0.5616880941498209
Energy: 0.5402341180498688
Energy: 0.5367004109842746
Energy: 0.6202041887692056
Energy: 0.6579045918927999
Energy: 0.6141428129731926
Energy: 0.6067310080358859
Energy: 0.6371725391543179
Energy: 0.5494136119869023
Energy: 0.644381135019767
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Energy: 0.5265911577461576
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Energy: 0.6022120699685717
Energy: 0.6348828082778628
Energy: 0.6505888621989899
Energy: 0.5066328988996452
Energy: 0.5410163982647174
Energy: 0.5993131792999632
Energy: 0.6214502123974897
Energy: 0.6263863539624658
Energy: 0.6226364816855412
Energy: 0.6464824460185474
Energy: 0.5368247518824948
Energy: 0.6262398995658609
Energy: 0.5981428986712457
Energy: 0.6147333820367827
Energy: 0.5251444774043745
Energy: 0.6630364835097337
Energy: 0.6309624814808555
Energy: 0.6474156773326099
Energy: 0.5581384040080825
Energy: 0.5838873680434098
Energy: 0.6009792961038005
Energy: 0.5910326954918493
Energy: 0.5876571954193391
Energy: 0.5763923565254553
Energy: 0.5072140590531086
Energy: 0.5638779489288923
Energy: 0.5277921242460645
Energy: 0.581114594985994
Energy: 0.5582489159050759
Energy: 0.5414814003891095
Energy: 0.5773659194891492
Energy: 0.5341997563914146
Energy: 0.5636098990439771
Energy: 0.648074140870755
Energy: 0.5779883343916613
Energy: 0.614651075099461
Energy: 0.5629747777653783
Energy: 0.5076814516439473
Energy: 0.51840090823987
Energy: 0.5607690383508112
Energy: 0.5359038972049748
Energy: 0.5721028647356948
Energy: 0.5137722430988294
Energy: 0.5573425346400026
Energy: 0.5672490190931356
Energy: 0.539532993536053
Energy: 0.5731597270288084
Energy: 0.5582164796067289
Energy: 0.5747208155625959
Energy: 0.5806619124688822
Energy: 0.5971748261050642
Energy: 0.6339386249845259
Energy: 0.5304370584051101
Energy: 0.5991663815321697
Energy: 0.5427915300335061
Energy: 0.5860102400071563
Energy: 0.5241126863013755
Energy: 0.6475887138596433
Energy: 0.6537240427960671
Energy: 0.5825404384587636
Energy: 0.6170837259223618
Energy: 0.5532967663426425
Energy: 0.5531491457741551
Energy: 0.632957326444388
Energy: 0.5410499259502064
Energy: 0.6249893879834267
Energy: 0.5995567392203524
Energy: 0.6182604216078141
Energy: 0.5304851682865512
Energy: 0.709851316868659
Energy: 0.6142315590435723
Energy: 0.5634693787886614
Energy: 0.6034419843308569
Energy: 0.6092076591521842
Energy: 0.5890033294601726
Energy: 0.5894204774263065
Energy: 0.6138738197862357
Energy: 0.6659253281493851
Energy: 0.6402448199848562
Energy: 0.720690906844407
Energy: 0.5135463496783051
Energy: 0.598395433288801
Energy: 0.5999047413108792
Energy: 0.6257451888958606
Energy: 0.5444555676815217
Energy: 0.5728053463121693
Energy: 0.614239504151823

minimum gb energy = 0.5066328988996452 eV
minimum distance =  2.53614092654438 Angstroms
sigma value = 113


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

Energy: 0.6652924802061466
Energy: 0.749471656143112
Energy: 0.6969320556089307
Energy: 0.7223223466122228
Energy: 0.6778837157958034
Energy: 0.6492106143117896
Energy: 0.7068999654657995
Energy: 0.7190534808041646
Energy: 0.7032595375144441
Energy: 0.6268672821067055
Energy: 0.6877075128778662
Energy: 0.7147477386088491
Energy: 0.7036560247063888
Energy: 0.7574610679374638
Energy: 0.6948121879123109
Energy: 0.7260446373753678
Energy: 0.6515675489959778
Energy: 0.6869442044808698
Energy: 0.7155837572849622
Energy: 0.6540252256807827
Energy: 0.699364388370008
Energy: 0.6488707865315317
Energy: 0.6930625346245172
Energy: 0.6614006602338622
Energy: 0.6769038471942583
Energy: 0.6767832030691613
Energy: 0.645438136084697
Energy: 0.7070515266305698
Energy: 0.645515362978398
Energy: 0.7137165658726121
Energy: 0.6703492167716733
Energy: 0.6757559291253972
Energy: 0.6524794455802676
Energy: 0.6704381372134001
Energy: 0.683830532792428
Energy: 0.5870519945265051
Energy: 0.653935791582757
Energy: 0.6329028995495514
Energy: 0.6632052698008662
Energy: 0.6076450336309457
Energy: 0.6037692229882566
Energy: 0.6415210228746104
Energy: 0.6514322313296173
Energy: 0.663726258055058
Energy: 0.6534384693055444
Energy: 0.6369502346686754
Energy: 0.6394671541779454
Energy: 0.6439463919605343
Energy: 0.668768186864736
Energy: 0.6255494668744274
Energy: 0.6256896356229766
Energy: 0.6219091605857042
Energy: 0.6818763179672096
Energy: 0.6558914449118993
Energy: 0.6383854053651554
Energy: 0.6128532652929961
Energy: 0.6131981327613757
Energy: 0.6317028122299038
Energy: 0.6443177053166735
Energy: 0.5979680681657917
Energy: 0.6208545068316949
Energy: 0.6122731093373389
Energy: 0.6257489474410658
Energy: 0.6458625750917827
Energy: 0.6642375087412431
Energy: 0.5894017325935853
Energy: 0.6052304798894911
Energy: 0.66151021557846
Energy: 0.6307081272406567
Energy: 0.6450997382602818
Energy: 0.643663228311472
Energy: 0.6411774989229888
Energy: 0.669245227590568
Energy: 0.6060962882126997
Energy: 0.6432814806136884
Energy: 0.6222233986026511
Energy: 0.6156748618086075
Energy: 0.621741021734887
Energy: 0.5994760224937541
Energy: 0.6615511442754425
Energy: 0.6260639574191968
Energy: 0.5783920175396788
Energy: 0.6614909791287698
Energy: 0.6029234207952268
Energy: 0.6067434257372659
Energy: 0.6333398397758665
Energy: 0.6334859408712582
Energy: 0.6570952263386106
Energy: 0.6586230182300048
Energy: 0.6497663234349694
Energy: 0.6153293361483527
Energy: 0.6763396665511695
Energy: 0.6337005565708721
Energy: 0.6183851393517289
Energy: 0.6425932067949591
Energy: 0.6518348638027032
Energy: 0.5889991898689005
Energy: 0.6568445171661372
Energy: 0.5976527752328814
Energy: 0.6549453105424802
Energy: 0.6154360647967477
Energy: 0.6159176830565009
Energy: 0.6022376559872534
Energy: 0.5961239826050735
Energy: 0.6568023037252403
Energy: 0.6508302716020661
Energy: 0.6704005118416283
Energy: 0.6535048413783164
Energy: 0.6596776212190998
Energy: 0.6535286433884375
Energy: 0.6435502821488358
Energy: 0.6685893548405175
Energy: 0.6389093192261127
Energy: 0.7238589000878223
Energy: 0.6251106346002946
Energy: 0.6478061206128453
Energy: 0.6525317614879088
Energy: 0.6694176791790245
Energy: 0.6843119000553761
Energy: 0.6219063827304474
Energy: 0.6847858155263552
Energy: 0.6286105637695115
Energy: 0.6580048985399941
Energy: 0.6632125082827701
Energy: 0.6661091100435593
Energy: 0.6977069203578946
Energy: 0.6887931718796424
Energy: 0.7259854239083247
Energy: 0.6732221794283522
Energy: 0.7356240015753854
Energy: 0.749123368064856
Energy: 0.7423709659098484
Energy: 0.7422819524345043
Energy: 0.6486519561487332
Energy: 0.7140381257408444
Energy: 0.6497866944045857
Energy: 0.7120906422809685
Energy: 0.6715955846512199
Energy: 0.6448383751278026
Energy: 0.6988881903173306
Energy: 0.7048184624635376
Energy: 0.7241079781885458
Energy: 0.6599305058749766
Energy: 0.721677013578982
Energy: 0.6995319737168049
Energy: 0.651556491399259
Energy: 0.737574252263973
Energy: 0.7062532642955797
Energy: 0.7497274859873527
Energy: 0.6507831279058582
Energy: 0.735719718116712
Energy: 0.7048227889044832
Energy: 0.6550952057081734
Energy: 0.7497963755422952
Energy: 0.648541627417435
Energy: 0.6944550202335729
Energy: 0.678133791963058
Energy: 0.6954848930800304
Energy: 0.695328460437204
Energy: 0.6610302716465447
Energy: 0.6972221540425998
Energy: 0.7079053666909004
Energy: 0.7493209488730358
Energy: 0.6868778083579813
Energy: 0.7184815999290175
Energy: 0.752339481430102
Energy: 0.6937261630024476
Energy: 0.7498457637482222
Energy: 0.6405140990404132
Energy: 0.7403454074008842
Energy: 0.649933769385162
Energy: 0.6887658058824337
Energy: 0.6785173468307327
Energy: 0.6612661061987178
Energy: 0.6882054815362247
Energy: 0.6404741742389847
Energy: 0.7084616522642293
Energy: 0.6398159035027488
Energy: 0.6480794516386121
Energy: 0.670841899097717
Energy: 0.646420910927758
Energy: 0.698482676131237
Energy: 0.6405083065428869
Energy: 0.7132573467543585
Energy: 0.672348009768835
Energy: 0.6894674887129976
Energy: 0.691281090383555
Energy: 0.6748764980114634
Energy: 0.695048977230441
Energy: 0.5867287795766208
Energy: 0.6770592491426359
Energy: 0.6325122514850386
Energy: 0.6552615554842105
Energy: 0.6147963293014811
Energy: 0.6065945373392876
Energy: 0.6520053280632525
Energy: 0.6584548009377695
Energy: 0.6406165195355005
Energy: 0.6575852764255109
Energy: 0.6486106464378272
Energy: 0.6427270318905477
Energy: 0.6151198835854511
Energy: 0.6633885660598692
Energy: 0.5977062663457969
Energy: 0.6330533123547043
Energy: 0.6236329975607652
Energy: 0.656880328028221
Energy: 0.6734984913604894
Energy: 0.624873328077446
Energy: 0.6051662166189107
Energy: 0.5583359434232423
Energy: 0.6603843281222589
Energy: 0.6774177163577234
Energy: 0.594912462195837
Energy: 0.603903475456623
Energy: 0.6321995038817825
Energy: 0.623333801466206
Energy: 0.6259212681554128
Energy: 0.6586070245597258
Energy: 0.661745767422944
Energy: 0.6114619222588826
Energy: 0.6338055272209516
Energy: 0.6489382039676653
Energy: 0.6385277754502252
Energy: 0.6456934213417997
Energy: 0.6461972898847698
Energy: 0.662841400672842
Energy: 0.6321702710328394
Energy: 0.6394239976427892
Energy: 0.6241925038243209
Energy: 0.6302500824354875
Energy: 0.6196493530021371
Energy: 0.646816001790679
Energy: 0.6624362801738249
Energy: 0.6219273147215946
Energy: 0.6027550166030989
Energy: 0.6481894460244345
Energy: 0.651952837268959
Energy: 0.6198583496010459
Energy: 0.6230006032186011
Energy: 0.634079523512772
Energy: 0.6413989763723322
Energy: 0.5815407756786988
Energy: 0.6416079963170974
Energy: 0.5936306146750445
Energy: 0.674728185115256
Energy: 0.6372713868057248
Energy: 0.6035238981233316
Energy: 0.6285187988764346
Energy: 0.6025500355377399
Energy: 0.5877206213409129
Energy: 0.6236459996878663
Energy: 0.581093638267807
Energy: 0.6462226871279454
Energy: 0.6207763996980457
Energy: 0.6235074723618705
Energy: 0.5944911052795541
Energy: 0.5968130443361587
Energy: 0.6545423331159017
Energy: 0.6538855327658721
Energy: 0.6685069554996704
Energy: 0.6601516657332325
Energy: 0.6716524780192729
Energy: 0.6297584361615822
Energy: 0.6301647688268067
Energy: 0.6649240666662524
Energy: 0.6387702540816497
Energy: 0.7132677865693194
Energy: 0.6293686933697364
Energy: 0.6487310305071867
Energy: 0.6321245739624868
Energy: 0.6268252090771491
Energy: 0.6889051447663911
Energy: 0.6228980637237522
Energy: 0.7013558173541717
Energy: 0.62720216089785
Energy: 0.6584745773561356
Energy: 0.6923193659743648
Energy: 0.6538406626652429
Energy: 0.6611245283220092
Energy: 0.6907431157281383
Energy: 0.727495690014318
Energy: 0.6649907175690571
Energy: 0.7149927745299512
Energy: 0.7098458434304508
Energy: 0.7112086060238425
Energy: 0.7213903620455087
Energy: 0.6503976281675591
Energy: 0.7394800529422618
Energy: 0.6725520787150282
Energy: 0.7264158446636908
Energy: 0.6697889359930966
Energy: 0.6445989876700283
Energy: 0.6866625258750388
Energy: 0.7000797288995851
Energy: 0.7166419500079677
Energy: 0.6483924971281138
Energy: 0.7415587369340249
Energy: 0.699178197775321
Energy: 0.6719349607480734
Energy: 0.7572677760534949
Energy: 0.694111190631384
Energy: 0.7207964001333078
Energy: 0.6632477160435718
Energy: 0.7343048461182987
Energy: 0.6993707816265922
Energy: 0.6482182867897163
Energy: 0.7529034038524953
Energy: 0.6475914189089345
Energy: 0.6901001332877568
Energy: 0.6911841560726812
Energy: 0.7274608124359351
Energy: 0.6803743056360697
Energy: 0.6379936762430503
Energy: 0.7264382899717496

minimum gb energy = 0.5583359434232423 eV
minimum distance =  2.48851798607367 Angstroms
sigma value = 365


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

Energy: 0.5946603413641804
Energy: 0.5915726434526827
Energy: 0.5920300685880178
Energy: 0.5933512905930637
Energy: 0.5926236004412575
Energy: 0.5916212101991
Energy: 0.593747346988258
Energy: 0.5615682830460702
Energy: 0.6969692181201703
Energy: 0.5568683181020718
Energy: 0.5346201893074717
Energy: 0.5551974640617272
Energy: 0.5579528862151072
Energy: 0.7027593934687346
Energy: 0.5532159763116224
Energy: 0.7285619211863695
Energy: 0.5567265919593316
Energy: 0.5537960572592046
Energy: 0.5544232419705616
Energy: 0.5579441449203495
Energy: 0.5660644321896211
Energy: 0.5538120358749614
Energy: 0.7307736075569324
Energy: 0.5573425550947712
Energy: 0.5938357678502093
Energy: 0.5537573142882702
Energy: 0.5588647790482908
Energy: 0.5914891867573151
Energy: 0.5607846824118031
Energy: 0.7028071787049758
Energy: 0.5618293984664274
Energy: 0.698532895258132
Energy: 0.5336307197621929
Energy: 0.5624630667148894
Energy: 0.7018309686070635
Energy: 0.5546930108963709
Energy: 0.7319934030664315
Energy: 0.554995548295502
Energy: 0.5936400407103272
Energy: 0.5929701426877567
Energy: 0.5921135662394277
Energy: 0.5940425955312142
Energy: 0.5535165208105483
Energy: 0.7318471311058389
Energy: 0.5563700696021671
Energy: 0.5544445861478612
Energy: 0.554659093498511
Energy: 0.5578946776348609
Energy: 0.6976781654848621
Energy: 0.5530422894539514
Energy: 0.7310524052645277
Energy: 0.5563155170024884
Energy: 0.554083421202744
Energy: 0.5545996592152749
Energy: 0.5576982899609144
Energy: 0.7327902226266222
Energy: 0.5543595336476611
Energy: 0.7311510358207188
Energy: 0.5591095262417409
Energy: 0.5933967439829322
Energy: 0.593515599552256
Energy: 0.5569778295882748
Energy: 0.591736059039374
Energy: 0.5605069801659583
Energy: 0.6976276989643434
Energy: 0.5615501100918675
Energy: 0.6983900032716577
Energy: 0.6975647898979251
Energy: 0.5621625873336779
Energy: 0.7017372986799368
Energy: 0.5546697000446494
Energy: 0.7307929592668987
Energy: 0.5582584174059713
Energy: 0.5934556928732886
Energy: 0.5938734417336639
Energy: 0.5598450633741547
Energy: 0.5917241283544341
Energy: 0.5529934727086786
Energy: 0.730868176244032
Energy: 0.5564403912303101
Energy: 0.5544950679114734
Energy: 0.5537900110292461
Energy: 0.5577240701497128
Energy: 0.7322519983213487
Energy: 0.5537369857241459
Energy: 0.733484201601339
Energy: 0.5565305185904184
Energy: 0.5550633084660578
Energy: 0.5552081637667134
Energy: 0.5579948764554665
Energy: 0.7014910248313481
Energy: 0.5548750236874023
Energy: 0.732546644785084
Energy: 0.5923564551247741
Energy: 0.5930081262663869
Energy: 0.5927612239004413
Energy: 0.5917972626926153
Energy: 0.5938613636425375
Energy: 0.5609676515190843
Energy: 0.7033413887883131
Energy: 0.5621614187006714
Energy: 0.5338443250450307
Energy: 0.5555337901588878
Energy: 0.5547164235970952
Energy: 0.7024246682057868
Energy: 0.5534168907430566
Energy: 0.7305340778062412
Energy: 0.5571310029581208
Energy: 0.5923547265824519
Energy: 0.5536479007221389
Energy: 0.5583352785337911
Energy: 0.5664828469599634
Energy: 0.5533414018553191
Energy: 0.730259789463836
Energy: 0.5568351478573773
Energy: 0.5533435638800832
Energy: 0.5536504540697788
Energy: 0.5582455507895171
Energy: 0.5913309057320872
Energy: 0.561200477554649
Energy: 0.7024501590392296
Energy: 0.5573095292206633
Energy: 0.5555201314732522
Energy: 0.5341815303277871
Energy: 0.5547081907771702
Energy: 0.7026395954045407
Energy: 0.5546095151967582
Energy: 0.7326170629772304
Energy: 0.59209053352208
Energy: 0.5936194226193529
Energy: 0.5927317375600296
Energy: 0.5917294983295265
Energy: 0.593892166660483
Energy: 0.55409627345559
Energy: 0.7027499242296371
Energy: 0.5568001851348382
Energy: 0.5351344004991135
Energy: 0.555082791768725
Energy: 0.5580125062744911
Energy: 0.6975683976436704

minimum gb energy = 0.5336307197621929 eV
minimum distance =  2.52193663270442 Angstroms
sigma value = 23