Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_001
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=4.049985826015473
cohesive_energy=3.3534000933305403
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012654382638444922
Energy: 0.7039526565262342
Energy: 0.5688787702240322
Energy: 0.7056451259327708
Energy: 0.012654382638444922
Energy: 0.7039526565262342
Energy: 0.35614821199925634
Energy: 0.3559913627443457
Energy: 0.012886303474938594
Energy: 0.12146701778910543
Energy: 0.012812088376999077
Energy: 0.35599136274414167
Energy: 0.012886303474530573
Energy: 0.12146701778930943
Energy: 0.012654382638444922
Energy: 0.7039526565264381
Energy: 0.6817183190802452
Energy: 0.7056451259331563
Energy: 0.012654382638240914
Energy: 0.7039526565264381
Energy: 0.35614821199905233
Energy: 0.3559913627443457
Energy: 0.012886303474734583
Energy: 0.12146701778890141
Energy: 0.012812088376591056
Energy: 0.35599136274414167
Energy: 0.012886303474734583
Energy: 0.12146701778949077
Energy: 0.012654382638648935
Energy: 0.7039526565264381
Energy: 0.6817183190806532
Energy: 0.7056451259317735
Energy: 0.012654382638444922
Energy: 0.7039526565262342
Energy: 0.35614821199905233
Energy: 0.3559913627447537
Energy: 0.012886303474734583
Energy: 0.12146701778930943
Energy: 0.012812088376795067
Energy: 0.35599136274414167
Energy: 0.012886303474530573
Energy: 0.12146701778949077

minimum gb energy = 0.012654382638240914 eV
minimum distance =  2.83792518510835 Angstroms
sigma value = 5


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

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Energy: 0.7439072290814228
Energy: 0.7440019510727374
Energy: 0.7216955204840066
Energy: 0.6935780953554385
Energy: 0.7439072290862968
Energy: 0.780723239291418
Energy: 0.6818680729529306
Energy: 0.6764467227555682
Energy: 0.7250698875657448
Energy: 0.7113155857909648
Energy: 0.6818680729504937
Energy: 0.6764477220755832
Energy: 0.7250698508492673
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Energy: 0.6853372764999688
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Energy: 0.6476941638934265
Energy: 0.6853372765048429
Energy: 0.787442376251661
Energy: 0.7033122081906624
Energy: 0.7573004216520618
Energy: 0.7372826616511617
Energy: 0.7130316519882445
Energy: 0.7033114822553106
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Energy: 0.7711000533704508
Energy: 0.7099806659395818
Energy: 0.6680113217118876
Energy: 0.6673214500854061
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Energy: 0.6948812580236876
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Energy: 0.6591081899405632
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Energy: 0.7233849103902422
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Energy: 0.7477327260962502
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Energy: 0.640154414972952
Energy: 0.6636599030150853
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Energy: 0.707478947107709
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Energy: 0.8075477334884921
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Energy: 0.7504217569958731
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Energy: 0.7260979914038279
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Energy: 0.6830411068564227
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Energy: 0.7019485492672799
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Energy: 0.7013920605267548
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Energy: 0.6921153636134646
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Energy: 0.6921781448512213
Energy: 0.6799400835672161
Energy: 0.6833227516128099
Energy: 0.7740237467220863
Energy: 0.6963741615017646
Energy: 0.6799400837620869
Energy: 0.6833227801056352
Energy: 0.7740237462958341
Energy: 0.7076616890664739
Energy: 0.6926398289156356
Energy: 0.7369342921133444
Energy: 0.7398410263166623
Energy: 0.7076616890737849
Energy: 0.6926398330859495
Energy: 0.736934438833079
Energy: 0.6955245432731916
Energy: 0.6774830416351003
Energy: 0.7766397492445206
Energy: 0.7128206510510989
Energy: 0.6955245432731916
Energy: 0.6774830397205106
Energy: 0.7766398739850672
Energy: 0.6464467988516243
Energy: 0.7205295802657101
Energy: 0.7656855498832166
Energy: 0.7038615308332951
Energy: 0.6464467974729069
Energy: 0.7205295805726383
Energy: 0.7656855647885252
Energy: 0.649796402981507
Energy: 0.6837290626732699
Energy: 0.7711410450894889
Energy: 0.7446888720290517
Energy: 0.6497964748603697
Energy: 0.6837290611606066
Energy: 0.7711411599451077
Energy: 0.6536829917924067
Energy: 0.7018794988302256
Energy: 0.7619202489206022
Energy: 0.6598152711032821
Energy: 0.6536829917972807
Energy: 0.7018794988034186
Energy: 0.7619199171715715

minimum gb energy = 0.6401454480707639 eV
minimum distance =  2.49609911148531 Angstroms
sigma value = 401


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

Energy: 0.7171963544373766
Energy: 0.7551903107583426
Energy: 0.746624386303998
Energy: 0.7154211129769754
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Energy: 0.7337245604603482
Energy: 0.6706711856861702
Energy: 0.6984151246039242
Energy: 0.6707332347347988
Energy: 0.7196847632246683
Energy: 0.685651631701759
Energy: 0.7250032052857952
Energy: 0.8210324920761359
Energy: 0.6691061950658791
Energy: 0.6856516317020104
Energy: 0.7250032052843871
Energy: 0.8210324920833282
Energy: 0.6693892594048999
Energy: 0.6657178118648268
Energy: 0.7901099386087543
Energy: 0.6779448953636494
Energy: 0.6693892594043469
Energy: 0.6657178250011475
Energy: 0.7901099386090561
Energy: 0.6635282464675785
Energy: 0.7429046077685035
Energy: 0.7629759592908112
Energy: 0.6925203934011611
Energy: 0.6635282454852112
Energy: 0.7429046077710183
Energy: 0.762975959292471
Energy: 0.6644316148212968
Energy: 0.7090891707583505
Energy: 0.7285035720445121
Energy: 0.6821732170795419
Energy: 0.6644316314976001
Energy: 0.7090891707962228
Energy: 0.7284996376759035
Energy: 0.6828851991933279
Energy: 0.6745458111640777
Energy: 0.8034050241108517
Energy: 0.7019005338807403
Energy: 0.68288519919026
Energy: 0.6745458207965782
Energy: 0.8034050235285329
Energy: 0.6614306315067078
Energy: 0.7096891123607076
Energy: 0.7555361032625526
Energy: 0.7483371344203995
Energy: 0.661430631521394
Energy: 0.7096891121818073
Energy: 0.7555361028533503
Energy: 0.6975895229912826
Energy: 0.7551903107541682
Energy: 0.7246254237818747
Energy: 0.7154214754265962
Energy: 0.6975895229929424
Energy: 0.7551903107502954
Energy: 0.7246248415530229
Energy: 0.6725057534567853
Energy: 0.6993015278859749
Energy: 0.730298481783631
Energy: 0.7188275389185282
Energy: 0.6725057533871264
Energy: 0.6993015280458132
Energy: 0.7302984817850392

minimum gb energy = 0.6567068643466145 eV
minimum distance =  2.53822684940568 Angstroms
sigma value = 311


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

Energy: 0.7278703267012367
Energy: 0.6847231354167158
Energy: 0.8112226663211713
Energy: 0.6943352981921445
Energy: 0.7271893437209893
Energy: 0.6847232026763661
Energy: 0.7858738869968048
Energy: 0.7029523384588712
Energy: 0.7198688514691799
Energy: 0.7515708966783465
Energy: 0.7089094816800516
Energy: 0.7029536306808808
Energy: 0.7198688513363602
Energy: 0.7515709064708567
Energy: 0.6859858751531522
Energy: 0.708103378091533
Energy: 0.794405482858753
Energy: 0.7159881174165266
Energy: 0.6859859540785247
Energy: 0.7081033780621611
Energy: 0.7585616489119938
Energy: 0.6642885281744387
Energy: 0.7212360497751291
Energy: 0.7523363529372982
Energy: 0.6902131122446028
Energy: 0.6642887127466679
Energy: 0.7212360401425891
Energy: 0.7523362138574357
Energy: 0.686667802443442
Energy: 0.7300399550780154
Energy: 0.7690158459907386
Energy: 0.6971991902244195
Energy: 0.6866678061617421
Energy: 0.730039946414778
Energy: 0.8213661232336633
Energy: 0.6892478096451302
Energy: 0.7058480283273205
Energy: 0.7634855744230686
Energy: 0.6911046290544673
Energy: 0.6892478097549518
Energy: 0.7058480283914945
Energy: 0.7634855742848187
Energy: 0.6750381291510439
Energy: 0.7409229641604308
Energy: 0.7702361841356198
Energy: 0.7281344970855473
Energy: 0.6750381291526408
Energy: 0.7409230152184219
Energy: 0.8039408073150406
Energy: 0.6785816305468374
Energy: 0.7313739227853802
Energy: 0.7745639445744317
Energy: 0.6945916290017274
Energy: 0.6787219990664585
Energy: 0.7313739228000735
Energy: 0.776461359582157
Energy: 0.6564329467756131
Energy: 0.700803533808037
Energy: 0.7777964849613195
Energy: 0.7661683534642357
Energy: 0.6564329467867929
Energy: 0.7008035337914272
Energy: 0.7613823940297941
Energy: 0.6961482302656709
Energy: 0.7073835390294089
Energy: 0.8119829279770572
Energy: 0.7227816977090962
Energy: 0.6961482302554495
Energy: 0.7073832755979121
Energy: 0.8119829278780812
Energy: 0.717424171916842
Energy: 0.7013611417977693
Energy: 0.7465329989937786
Energy: 0.703647669462714
Energy: 0.7174241722041876
Energy: 0.7013610935545176
Energy: 0.7465329983424419
Energy: 0.6966858351338313
Energy: 0.7278508554286552
Energy: 0.796391929645891
Energy: 0.7168510413216611
Energy: 0.6966858347826315
Energy: 0.727850859126832
Energy: 0.7963919573887428
Energy: 0.67367875180875
Energy: 0.6995061215050693
Energy: 0.7273328129094391
Energy: 0.7281724280573878
Energy: 0.6736787512037146
Energy: 0.6995061187627797
Energy: 0.7273328080305778
Energy: 0.6564370201885855
Energy: 0.7059925812346755
Energy: 0.7728258103713618
Energy: 0.7143616489056037
Energy: 0.6564370208377007
Energy: 0.7059925810408759
Energy: 0.7728253591602013
Energy: 0.6856798749880387
Energy: 0.7269287559699317
Energy: 0.7465320813786361
Energy: 0.7027042994144822
Energy: 0.6856797179211307
Energy: 0.726928741802035
Energy: 0.7465320813744982
Energy: 0.6883029826558172
Energy: 0.7014441111164403
Energy: 0.7952765628372415
Energy: 0.7125666613562354
Energy: 0.6883027035408442
Energy: 0.7014441111126073
Energy: 0.7952765585206282
Energy: 0.6908782839941094
Energy: 0.6980656685450969
Energy: 0.768794198089102
Energy: 0.6980779217129782
Energy: 0.6908782843044385
Energy: 0.6980655601588545
Energy: 0.7687941982934424
Energy: 0.6697875865550791
Energy: 0.749376114983102
Energy: 0.7894818804192425
Energy: 0.7142257284288055
Energy: 0.6697875859187696
Energy: 0.7493761149834213
Energy: 0.7894818804189231
Energy: 0.6615526960646931
Energy: 0.7644586209289106
Energy: 0.8121948251599259
Energy: 0.6968873675026979
Energy: 0.6615526960640544
Energy: 0.7644586813225429
Energy: 0.7066582824407616
Energy: 0.6833039348228221
Energy: 0.663283392483236
Energy: 0.800751725724257
Energy: 0.7024085732098893
Energy: 0.6832659057183584
Energy: 0.6632835789611994
Energy: 0.8007517050377237
Energy: 0.6844433005488917
Energy: 0.739912238368828
Energy: 0.7298455260403814
Energy: 0.7168552985562742
Energy: 0.6844433004888701
Energy: 0.7399122361338901
Energy: 0.7298454909905695
Energy: 0.6777721848757297
Energy: 0.7084859411127629
Energy: 0.7769243882384234
Energy: 0.7045935545909895
Energy: 0.6777677453029541
Energy: 0.7084859411121239
Energy: 0.7769243984689863
Energy: 0.6867026985249924
Energy: 0.7046749395491684
Energy: 0.7640990152460977
Energy: 0.7283593438306685
Energy: 0.6867027090521639
Energy: 0.7046754085219816
Energy: 0.7640925379327352
Energy: 0.6642792566711703
Energy: 0.6901815965936462
Energy: 0.7534262857403483
Energy: 0.7626827198876517
Energy: 0.6642792470986228
Energy: 0.6901816642364239
Energy: 0.7534264506240944
Energy: 0.6872444058430552
Energy: 0.724798612451567
Energy: 0.8134646282454335
Energy: 0.7042901012779959
Energy: 0.6872444058679698
Energy: 0.7247986124528445
Energy: 0.8134646273501923
Energy: 0.7091742262662046
Energy: 0.7202628027380547
Energy: 0.7634364044769271
Energy: 0.7442555988077091
Energy: 0.7091628776846571
Energy: 0.7202628035215577
Energy: 0.7634363951671589
Energy: 0.7346278155628243
Energy: 0.7103122689502134
Energy: 0.8190775500687888
Energy: 0.7130788452473151
Energy: 0.7346278155663378
Energy: 0.7103122689479774
Energy: 0.7805968101542857
Energy: 0.730688989664685
Energy: 0.7185253208192702
Energy: 0.774614468128327
Energy: 0.7027679641735224
Energy: 0.7306889896975703
Energy: 0.7185253208147984
Energy: 0.7746144691123373
Energy: 0.6801827797277998
Energy: 0.715215549774979
Energy: 0.7734281654375331
Energy: 0.7026950145188059
Energy: 0.6801827797274803
Energy: 0.7152155497759374
Energy: 0.7652049278933178
Energy: 0.662849827798741
Energy: 0.7451856089461955
Energy: 0.7722777441043586
Energy: 0.6876913720032322
Energy: 0.6628498284235516
Energy: 0.745185608945876
Energy: 0.7722749233752688
Energy: 0.6945335394886745
Energy: 0.7053465054946245
Energy: 0.7601270435361807
Energy: 0.7030785210227276
Energy: 0.6945335395139085
Energy: 0.7053472421944662
Energy: 0.7584921361490338
Energy: 0.6732870044180399
Energy: 0.706418544585498
Energy: 0.7825257123008703
Energy: 0.6807333648872445
Energy: 0.6732130635305463
Energy: 0.706418544585498
Energy: 0.7825229407814891
Energy: 0.6850382890410373
Energy: 0.7621019159658101
Energy: 0.7741406091427695
Energy: 0.7017749143999168
Energy: 0.6850383120292378
Energy: 0.762101915966449
Energy: 0.7331669012820694
Energy: 0.7059474333328086
Energy: 0.7078603086433348
Energy: 0.7704752613467059
Energy: 0.7001855876499841
Energy: 0.7059475084092972
Energy: 0.7078607881279875
Energy: 0.7704753619866872
Energy: 0.656373225775937
Energy: 0.6966134415802857
Energy: 0.8043357751962583
Energy: 0.7750264953963905
Energy: 0.656373225785839
Energy: 0.6966134415863546
Energy: 0.751949633863721
Energy: 0.6885938674883308
Energy: 0.7138140590005512
Energy: 0.8063663901012217
Energy: 0.724089804315868
Energy: 0.6885938674873726
Energy: 0.7138140590637668
Energy: 0.8063663900874867

minimum gb energy = 0.656373225775937 eV
minimum distance =  2.51071043251957 Angstroms
sigma value = 39


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

Energy: 0.8075414269956559
Energy: 0.7095667427596282
Energy: 0.8151985186523877
Energy: 0.7171419705998772
Energy: 0.807541426994148
Energy: 0.7095667427588741
Energy: 0.6698240695588671
Energy: 0.6805574468712047
Energy: 0.7560064059492133
Energy: 0.7979793409485211
Energy: 0.664686978509726
Energy: 0.6805574218749194
Energy: 0.7560064059514752
Energy: 0.7979793405600312
Energy: 0.824982066969116
Energy: 0.6539500428750082
Energy: 0.753156502316346
Energy: 0.735365734172541
Energy: 0.824982066968739
Energy: 0.653950042875385
Energy: 0.753156502317477
Energy: 0.7819743824978692
Energy: 0.6628491589522174
Energy: 0.663417907838068
Energy: 0.7611655092030611
Energy: 0.7819743824990001
Energy: 0.6628491379158143
Energy: 0.663417907838445
Energy: 0.668808401082582
Energy: 0.7781562014384672
Energy: 0.7056430295540483
Energy: 0.7330275644495802
Energy: 0.6688084010818279
Energy: 0.7781562014384672
Energy: 0.7088917721649747
Energy: 0.776850101145133
Energy: 0.630721418238466
Energy: 0.7147607171757238
Energy: 0.7798806348456181
Energy: 0.7768501011455101
Energy: 0.630721656718113
Energy: 0.7147607464834377
Energy: 0.7244795068934802
Energy: 0.7542801521796323
Energy: 0.7075798729585342
Energy: 0.7991065956064973
Energy: 0.7244795068923492
Energy: 0.7542801538360604
Energy: 0.7222170354433535
Energy: 0.816665980358172
Energy: 0.6931079413167738
Energy: 0.671384337078773
Energy: 0.6996618124602325
Energy: 0.816665981586185
Energy: 0.6931077693794813
Energy: 0.6713812701478312
Energy: 0.7237421256764262
Energy: 0.7979767889135104
Energy: 0.7116584515148966
Energy: 0.7657546525300393
Energy: 0.7237421256768032
Energy: 0.7979767889086097
Energy: 0.7021758208304687
Energy: 0.6512068617708349
Energy: 0.8055809941743662
Energy: 0.7117486357303355
Energy: 0.7141262816410209
Energy: 0.6497562083334443
Energy: 0.8055809942410566
Energy: 0.7117485876896383
Energy: 0.6691360318413647
Energy: 0.7343168195827556
Energy: 0.8022120871994569
Energy: 0.7752452362031939
Energy: 0.6691360318406109
Energy: 0.7343168195827556
Energy: 0.7073747558543038
Energy: 0.7744185186170991
Energy: 0.7566439177307663
Energy: 0.6635253519101962
Energy: 0.6625867609581106
Energy: 0.7744185186170991
Energy: 0.7566439237299118
Energy: 0.6635253519098193
Energy: 0.8040256475419231
Energy: 0.7321002207253624
Energy: 0.8137022383758832
Energy: 0.6532333364855041
Energy: 0.8040256475404152
Energy: 0.7321002207234775
Energy: 0.9172818316604615
Energy: 0.682844870966659
Energy: 0.66281233160301
Energy: 0.7005809109478274
Energy: 0.7317347124480591
Energy: 0.6828448706946201
Energy: 0.6628123017349744
Energy: 0.7005808850792219
Energy: 0.807541426982873
Energy: 0.7095667427584972
Energy: 0.7072695854950538
Energy: 0.7171419705991231
Energy: 0.8075414269862315
Energy: 0.7095667427577433
Energy: 0.6698241946450244
Energy: 0.6805573447141393
Energy: 0.7560064059495903
Energy: 0.7979793413566136
Energy: 0.6755519310228701
Energy: 0.6805573782549051
Energy: 0.7560064059518522
Energy: 0.797979341152396
Energy: 0.824982066968739
Energy: 0.6539500428750082
Energy: 0.7531565023171
Energy: 0.735365734172541
Energy: 0.824982066968739
Energy: 0.6539500428757622
Energy: 0.7531565023171
Energy: 0.781974382499377
Energy: 0.6628491525152327
Energy: 0.663417907839199
Energy: 0.7611655091363708
Energy: 0.781974382499377
Energy: 0.6628491514243698
Energy: 0.663417907837314
Energy: 0.6688084010818279
Energy: 0.7781562014384672
Energy: 0.705643050612316
Energy: 0.7330275644492033
Energy: 0.6688084010822049
Energy: 0.7781562014377132
Energy: 0.7056430355166614
Energy: 0.7768501011458872
Energy: 0.6307216062959965
Energy: 0.7147607182647018
Energy: 0.7798806349066538
Energy: 0.7768501011470179
Energy: 0.6307216887614656
Energy: 0.7147607506611086
Energy: 0.724479506893103
Energy: 0.7542801517014567
Energy: 0.7075798729653197
Energy: 0.7991065955748657
Energy: 0.724479506894611
Energy: 0.7542801542509385
Energy: 0.7387441765325713
Energy: 0.8166659786659313
Energy: 0.6931074857846342
Energy: 0.6713884231597445
Energy: 0.6996618654205558
Energy: 0.8166659787333754
Energy: 0.6931072512045876
Energy: 0.6713755767529335
Energy: 0.7237421256752952
Energy: 0.7979767889063479
Energy: 0.6832402787206502
Energy: 0.765754652532301
Energy: 0.7237421256764262
Energy: 0.7979767889059708
Energy: 0.6832402786976547
Energy: 0.6486864892550868
Energy: 0.8055809940899581
Energy: 0.7117485542019917
Energy: 0.7141262784437933
Energy: 0.6494138349905435
Energy: 0.8055809941803977
Energy: 0.7117485158026353
Energy: 0.6691360318413647
Energy: 0.7343168195823787
Energy: 0.7153811958959636
Energy: 0.7752452360758105
Energy: 0.6691360318402338
Energy: 0.7343168195831327
Energy: 0.8372264718911039
Energy: 0.7744185186174761
Energy: 0.7566439257221217
Energy: 0.6635253519094423
Energy: 0.6625884987571267
Energy: 0.7744185186167223
Energy: 0.756643929377511
Energy: 0.6635253519083114
Energy: 0.8040256475524441
Energy: 0.7321002207238545
Energy: 0.9172818297424814
Energy: 0.6532333364881429
Energy: 0.8040256475498053
Energy: 0.7321002207234775
Energy: 0.70430666795851
Energy: 0.6828448710114848
Energy: 0.6628120206677789
Energy: 0.7005809318595203
Energy: 0.7317347138720306
Energy: 0.682844870724367
Energy: 0.6628119850304152
Energy: 0.7005809159567281
Energy: 0.8075414269730715
Energy: 0.7095667427547274
Energy: 0.6698244474030443
Energy: 0.7171419705995002
Energy: 0.8075414269794803
Energy: 0.7095667427573662
Energy: 0.6698244474430035
Energy: 0.6805573848972727
Energy: 0.7560064059484594
Energy: 0.7979793417699839
Energy: 0.6670220961302269
Energy: 0.68055739180342
Energy: 0.7560064059510982
Energy: 0.7979793414195342

minimum gb energy = 0.630721418238466 eV
minimum distance =  2.50709885497395 Angstroms
sigma value = 21


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

Energy: 0.686638754231289
Energy: 0.8144782148720194
Energy: 0.8393206543825035
Energy: 0.8250618240358738
Energy: 0.6866387542308313
Energy: 0.8144782148724772
Energy: 0.898462928653112
Energy: 0.7648534515792198
Energy: 0.6739112482813879
Energy: 0.6602924770360217
Energy: 0.7614571800852983
Energy: 0.7648534538183422
Energy: 0.6827339118217286
Energy: 0.6602924770845096
Energy: 0.7275911995999095
Energy: 0.7492894052724847
Energy: 0.8171567145072499
Energy: 0.7739936991955237
Energy: 0.7275911995957908
Energy: 0.7492894052715694
Energy: 0.817156714505877
Energy: 0.7766547352633909
Energy: 0.7346674782365954
Energy: 0.7745265539887942
Energy: 0.7142818206183764
Energy: 0.7766547352688825
Energy: 0.7346674782269853
Energy: 0.7745265539897096
Energy: 0.7057019245409153
Energy: 0.7933267628823828
Energy: 0.7889387481378293
Energy: 0.7587448382240453
Energy: 0.7057019243826587
Energy: 0.7933267628755183
Energy: 0.7889387481387443
Energy: 0.7839731046658556
Energy: 0.7146520319864705
Energy: 0.832943225370261
Energy: 0.7306190013823776
Energy: 0.7839731046727201
Energy: 0.7146520319956025
Energy: 0.8329432253707185
Energy: 0.7473152082305464
Energy: 0.7759230634422632
Energy: 0.7446255743020098
Energy: 0.7223586069109045
Energy: 0.7473152082305464
Energy: 0.7759230634912089
Energy: 0.6915917118342889
Energy: 0.7088238688979788
Energy: 0.7368002133250418
Energy: 0.8112840548850141
Energy: 0.7647008381805528
Energy: 0.708823882897991
Energy: 0.7367614283375746
Energy: 0.811284054892773
Energy: 0.7423801179382526
Energy: 0.7491517490293923
Energy: 0.7804259417251179
Energy: 0.7711477386642057
Energy: 0.7423801145688459
Energy: 0.7491517490289348
Energy: 0.7804255276099596
Energy: 0.7533424108048564
Energy: 0.6967013063710502
Energy: 0.7478354507604695
Energy: 0.7960487310894767
Energy: 0.7533424107906699
Energy: 0.6967009640486364
Energy: 0.7478354507609271
Energy: 0.7844391022344802
Energy: 0.7572815118777593
Energy: 0.8304197428261093
Energy: 0.7166684945781543
Energy: 0.7854170369358395
Energy: 0.7572815118782169
Energy: 0.7776232771122076
Energy: 0.7308987220225267
Energy: 0.7607944578680697
Energy: 0.7553942733813764
Energy: 0.8240593081479386
Energy: 0.7308987220238997
Energy: 0.7607944574316983
Energy: 0.7553942314124378
Energy: 0.7673892006553549
Energy: 0.7069876558019448
Energy: 0.7392786851716652
Energy: 0.7335039630569309
Energy: 0.7673892021822591
Energy: 0.7069876926101871
Energy: 0.7169855400536053
Energy: 0.7519397262253419
Energy: 0.7521730474583092
Energy: 0.8807441540496215
Energy: 0.7779289865230475
Energy: 0.7519397262253419
Energy: 0.7521730526674936
Energy: 0.880744154063808
Energy: 0.7792279092913286
Energy: 0.7655654939745151
Energy: 0.735355710545818
Energy: 0.7115841999011435
Energy: 0.7792279093160198
Energy: 0.7655654939749728
Energy: 0.7353557105467333
Energy: 0.72450546836527
Energy: 0.7834307690769439
Energy: 0.8714663225384497
Energy: 0.6484704060365825
Energy: 0.7245054676425469
Energy: 0.7834307690778591
Energy: 0.87146632254028
Energy: 0.759661446488552
Energy: 0.7285866229186467
Energy: 0.7503647813209852
Energy: 0.7584239029999393
Energy: 0.7596614465027178
Energy: 0.7285866229186467
Energy: 0.7503647848477543
Energy: 0.7335892534414533
Energy: 0.7061923943734779
Energy: 0.7819971866314676
Energy: 0.7901975348115945
Energy: 0.7335892534409956
Energy: 0.7061923933058266
Energy: 0.7819971854654673
Energy: 0.7675382515476366
Energy: 0.721997424467403
Energy: 0.7691276745185434
Energy: 0.7035539070535329
Energy: 0.7675382671824914
Energy: 0.7219974244655725
Energy: 0.7691276754324725
Energy: 0.6934566135255319
Energy: 0.7276314553856029
Energy: 0.7869469389590916
Energy: 0.765430312561398
Energy: 0.6934566135250743
Energy: 0.7276302571118982
Energy: 0.786946938239572
Energy: 0.7611663683253475
Energy: 0.7073130950813667
Energy: 0.7706913628378699
Energy: 0.7157319701682686
Energy: 0.761166368323517
Energy: 0.7073130950822821
Energy: 0.7706913628584631
Energy: 0.7228486929215184
Energy: 0.8040369762236529
Energy: 0.7907043658267279
Energy: 0.7060312921026043
Energy: 0.7228486928711998
Energy: 0.8040369762259411
Energy: 0.7907042304402052
Energy: 0.7487607248050194
Energy: 0.6883944751080173
Energy: 0.7549890581066276
Energy: 0.7278146627218114
Energy: 0.7487607236587182
Energy: 0.6883943870711459
Energy: 0.7549890560495798
Energy: 0.7280676387999543
Energy: 0.782243617862952
Energy: 0.8406122171716865
Energy: 0.765448721656371
Energy: 0.7280676388095438
Energy: 0.7822436178675283
Energy: 0.8406118495183144
Energy: 0.7743031727650909
Energy: 0.6917701078035419
Energy: 0.7742591770977476
Energy: 0.7622676796697769
Energy: 0.7743031727971041
Energy: 0.6917700835800279
Energy: 0.7742591770963748

minimum gb energy = 0.6484704060365825 eV
minimum distance =  2.51565851842064 Angstroms
sigma value = 113


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

Energy: 0.7603354359686898
Energy: 0.7597270285952029
Energy: 0.8264714193228855
Energy: 0.7682198244203327
Energy: 0.7603354287641322
Energy: 0.7597270867515249
Energy: 0.8391189009965898
Energy: 0.7678354592216675
Energy: 0.6919151245079457
Energy: 0.7497581652585195
Energy: 0.772965224284178
Energy: 0.7678354592196244
Energy: 0.6947986722647387
Energy: 0.7497581652597732
Energy: 0.7656089891065716
Energy: 0.7476022511409985
Energy: 0.7650891225363923
Energy: 0.7488999319989499
Energy: 0.7656089891062929
Energy: 0.7476022898181701
Energy: 0.7480312771126412
Energy: 0.7295110853204348
Energy: 0.7438906339063707
Energy: 0.7893985568854157
Energy: 0.7823961946316148
Energy: 0.7295110853061323
Energy: 0.743890140376744
Energy: 0.7893985567815361
Energy: 0.7612576387016576
Energy: 0.7334077188026265
Energy: 0.7810652115341402
Energy: 0.7390412150370403
Energy: 0.7612576387907237
Energy: 0.7334077203713605
Energy: 0.6944369691504425
Energy: 0.7283315899282926
Energy: 0.7561757632837737
Energy: 0.7977679875847498
Energy: 0.677183767055846
Energy: 0.72833158992546
Energy: 0.7561757560575302
Energy: 0.7977679875827065
Energy: 0.7506973682270812
Energy: 0.7312863117479449
Energy: 0.8214206508257121
Energy: 0.7181530786366873
Energy: 0.7506973682301461
Energy: 0.7312862992086147
Energy: 0.8214206508219043
Energy: 0.7043846977460564
Energy: 0.7618990464816606
Energy: 0.7532986643945933
Energy: 0.6972654669305117
Energy: 0.7043846976186332
Energy: 0.7618990464959633
Energy: 0.7532986643953362
Energy: 0.7486541817354213
Energy: 0.7425387665611807
Energy: 0.815668462647051
Energy: 0.7577537343905622
Energy: 0.7486541817433157
Energy: 0.7425387910276624
Energy: 0.8156684626485833
Energy: 0.7326951395186274
Energy: 0.7571631970323679
Energy: 0.7711094826705677
Energy: 0.7473381383437626
Energy: 0.7326951395219243
Energy: 0.7571631970236842
Energy: 0.7711094825809442
Energy: 0.7613751401704999
Energy: 0.72106372584166
Energy: 0.7923475960224831
Energy: 0.7482673190761774
Energy: 0.7613751401715214
Energy: 0.7210566280055132
Energy: 0.7923475960235047
Energy: 0.7570582761613702
Energy: 0.7458551197038891
Energy: 0.8178634124827876
Energy: 0.6898134283469338
Energy: 0.7570582761613702
Energy: 0.7458551099076376
Energy: 0.8178634124835307
Energy: 0.7675028872378904
Energy: 0.739205090293582
Energy: 0.7803004768055262
Energy: 0.7242399916842477
Energy: 0.767502887239423
Energy: 0.7392050902956251
Energy: 0.7803004768042723
Energy: 0.7659925640587041
Energy: 0.7760673789783927
Energy: 0.820545427945995
Energy: 0.7547503114962706
Energy: 0.7659925640275448
Energy: 0.7760673794604084
Energy: 0.8205454279439517
Energy: 0.7780085484674104
Energy: 0.692112254385074
Energy: 0.7916461686142539
Energy: 0.7799030538990864
Energy: 0.778008548505721
Energy: 0.6914340473272818
Energy: 0.8068877172444746
Energy: 0.7562757348658364
Energy: 0.7698033733266411
Energy: 0.7701794124908161
Energy: 0.7592726755585216
Energy: 0.75627576951734
Energy: 0.7698033729577457
Energy: 0.7701794124800891
Energy: 0.7760380932117219
Energy: 0.7381281433374258
Energy: 0.797595939154445
Energy: 0.7139867893292363
Energy: 0.7760380915832237
Energy: 0.7381281386599685
Energy: 0.7824870430958785
Energy: 0.7239721102414272
Energy: 0.7468322539415709
Energy: 0.7958492603588799
Energy: 0.7611476879705534
Energy: 0.7239721098715102
Energy: 0.7468326965730211
Energy: 0.7958492603588799
Energy: 0.7806626443459564
Energy: 0.7435667415430784
Energy: 0.7540298385876177
Energy: 0.7621132742721006
Energy: 0.7806626443474889
Energy: 0.7435667455682354
Energy: 0.7444108215787656
Energy: 0.728394858014216
Energy: 0.7251677558464942
Energy: 0.8114423134232264
Energy: 0.727941229804677
Energy: 0.7283948580170022
Energy: 0.7254518992042953
Energy: 0.8114423134222046
Energy: 0.7532783036988453
Energy: 0.665884321732213
Energy: 0.7612890395847253
Energy: 0.771065921229099
Energy: 0.7532783035865142
Energy: 0.6658837313036631
Energy: 0.7544118520545003
Energy: 0.7429852574149415
Energy: 0.757546253231655
Energy: 0.7688353193666514
Energy: 0.712969517955138
Energy: 0.7429852574096013
Energy: 0.7575462533000566
Energy: 0.7688353195440407
Energy: 0.7535413104895822
Energy: 0.6820199638386332
Energy: 0.8171797202143971
Energy: 0.7684327246006156
Energy: 0.7535413108985525
Energy: 0.6820200577953098
Energy: 0.8071461831215877
Energy: 0.7325348118295864
Energy: 0.7330123695636358
Energy: 0.789536103414351
Energy: 0.7325059698347652
Energy: 0.7325347790475424
Energy: 0.7330123695113012
Energy: 0.7895361034166729
Energy: 0.7712305948377006
Energy: 0.7010981755495431
Energy: 0.7483146163537889
Energy: 0.7670228617645984
Energy: 0.771230594836679
Energy: 0.7010580056770552
Energy: 0.7483146210056595
Energy: 0.7218303880702361
Energy: 0.7549459576500231
Energy: 0.7562432996561533
Energy: 0.7757696758782581
Energy: 0.721830388662772
Energy: 0.7549459576699445
Energy: 0.7534983731861927
Energy: 0.7955580494847015
Energy: 0.6839275224810343
Energy: 0.7767393511926939
Energy: 0.7532635634752265
Energy: 0.7955580494739747
Energy: 0.6839284941657015
Energy: 0.7767393511947372
Energy: 0.7136686241124908
Energy: 0.7640446382684425
Energy: 0.8197842085946302
Energy: 0.7358018239034381
Energy: 0.7136720870683846
Energy: 0.7640446383151581
Energy: 0.8197842083013342
Energy: 0.7796243008351226
Energy: 0.6599445053534658
Energy: 0.7807785416581474
Energy: 0.7638394960788579
Energy: 0.7796243001236154
Energy: 0.6665710961759876
Energy: 0.7807785416660881
Energy: 0.7256780254571322
Energy: 0.7515860807436008
Energy: 0.802438360565192
Energy: 0.7600680467947319
Energy: 0.7256780216280323
Energy: 0.7515860806471047
Energy: 0.802438360560827
Energy: 0.7658977222651732
Energy: 0.7332208093214095
Energy: 0.794561173543113
Energy: 0.7664983809086088
Energy: 0.7658977221951926
Energy: 0.7332208060886994
Energy: 0.7945611849275092
Energy: 0.7498504568668358
Energy: 0.6575193266096093
Energy: 0.7767883809202479
Energy: 0.7493235105421396
Energy: 0.7498504568627495
Energy: 0.6582894549444104
Energy: 0.7767883808847701
Energy: 0.7470960820227944
Energy: 0.7153767704588794
Energy: 0.7906413697901161
Energy: 0.7512523539341779
Energy: 0.7470960820250698
Energy: 0.715373162810755
Energy: 0.7906413697903483
Energy: 0.7208133058619424
Energy: 0.7252690407984901
Energy: 0.7977052153594499
Energy: 0.6838902344961449
Energy: 0.7209513228179231
Energy: 0.7252690408316925
Energy: 0.797705214617062
Energy: 0.7180852626948123
Energy: 0.7208567515861821
Energy: 0.7552409902963796
Energy: 0.7479940069195685
Energy: 0.7180852628194028
Energy: 0.7208561420852231
Energy: 0.7552409902955901
Energy: 0.7240067009398143
Energy: 0.6616718012482203
Energy: 0.7709477873763633
Energy: 0.6639628780351936
Energy: 0.7240066665464073
Energy: 0.6616722933285489
Energy: 0.7668686336332773
Energy: 0.7750074609552313
Energy: 0.7356090613868438
Energy: 0.7680212958494604
Energy: 0.7456195923334206
Energy: 0.7750074609547206
Energy: 0.7356090615780713
Energy: 0.768021295848439
Energy: 0.7624650762700963
Energy: 0.7193980193330359
Energy: 0.794719699193524
Energy: 0.7232643855459984
Energy: 0.7624650772843726
Energy: 0.719398152279637
Energy: 0.7947196998251134
Energy: 0.7565498269183618
Energy: 0.7648417868236269
Energy: 0.8184790128979738
Energy: 0.7142905397012387
Energy: 0.7565498260056893
Energy: 0.7648417868236269
Energy: 0.8184790128992275
Energy: 0.7634557795467475
Energy: 0.7371056103871222
Energy: 0.7943869058428714
Energy: 0.7225012801199368
Energy: 0.763455774372554
Energy: 0.7371052572475721
Energy: 0.7943869057450752
Energy: 0.7576951898984006
Energy: 0.6875851275910955
Energy: 0.8249273606421748
Energy: 0.734351600057089
Energy: 0.7576951898884167
Energy: 0.687585100176748
Energy: 0.8249273606414318
Energy: 0.7583877870005727
Energy: 0.7083576191905773
Energy: 0.8189787089769583
Energy: 0.7271311454110573
Energy: 0.7583877872778013
Energy: 0.7083595508273773
Energy: 0.8189787089678102
Energy: 0.7590294787382723
Energy: 0.7528964602038792
Energy: 0.769605495709159
Energy: 0.7352652655475694
Energy: 0.7590294766349559
Energy: 0.7528964600994426
Energy: 0.769605495708416
Energy: 0.7701388727898862
Energy: 0.7052885119411674
Energy: 0.8117363597027977
Energy: 0.6703690165203944
Energy: 0.7701388727914187
Energy: 0.7052875219792316
Energy: 0.8117363596682952
Energy: 0.7286702112523332
Energy: 0.7556015243953762
Energy: 0.7730861575742685
Energy: 0.7056141117635075
Energy: 0.7286702112112365
Energy: 0.7556015244310862
Energy: 0.7730860563941809

minimum gb energy = 0.6575193266096093 eV
minimum distance =  2.50649099008848 Angstroms
sigma value = 365


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

Energy: 0.6784431948701821
Energy: 0.6955006507113517
Energy: 0.7347546925053045
Energy: 0.6955006507148067
Energy: 0.6784431948719095
Energy: 0.6955006507102001
Energy: 0.7441758047575082
Energy: 0.6784431948690303
Energy: 0.695500650713655
Energy: 0.731834151430802
Energy: 0.6955006507113517
Energy: 0.6784431948696061
Energy: 0.6955006507119276
Energy: 0.6249700205661859
Energy: 0.678443194870758
Energy: 0.6955006507130791
Energy: 0.7648442419764364
Energy: 0.6955006507130791
Energy: 0.678443194870758
Energy: 0.6955006507113517
Energy: 0.6394458286454853
Energy: 0.6784431948690303
Energy: 0.6955006507113517
Energy: 0.7747516480939729
Energy: 0.6955006507142308
Energy: 0.6784431948713338
Energy: 0.6955006507107758
Energy: 0.7441758047517497
Energy: 0.6784431948696061
Energy: 0.6955006507130791
Energy: 0.7318341514319535
Energy: 0.6955006507107758
Energy: 0.6784431948701821
Energy: 0.6955006507125033
Energy: 0.7263435533942137
Energy: 0.678443194870758
Energy: 0.6955006507142308
Energy: 0.7728135036348028
Energy: 0.6955006507125033
Energy: 0.6784431948719095
Energy: 0.6955006507113517
Energy: 0.7282283273755428
Energy: 0.6784431948713338
Energy: 0.6955006507119276
Energy: 0.7014395465613363
Energy: 0.6955006507142308
Energy: 0.6784431948719095
Energy: 0.6955006507130791
Energy: 0.7441758047523256
Energy: 0.678443194870758
Energy: 0.6955006507107758
Energy: 0.7318341514319535
Energy: 0.6955006507130791
Energy: 0.6784431948713338
Energy: 0.6955006507107758
Energy: 0.4983326244070059
Energy: 0.678443194870758
Energy: 0.6955006507125033
Energy: 0.7625817186049983
Energy: 0.6955006507130791
Energy: 0.678443194870758
Energy: 0.6955006507125033
Energy: 0.6394458285942618
Energy: 0.678443194870758
Energy: 0.6955006507130791
Energy: 0.7014395465619122
Energy: 0.6955006507148067
Energy: 0.6784431948701821
Energy: 0.6955006507107758
Energy: 0.7441758047626907
Energy: 0.678443194870758
Energy: 0.6955006507113517
Energy: 0.7318341514313778
Energy: 0.6955006507130791
Energy: 0.6784431948696061
Energy: 0.6955006507119276
Energy: 0.7050733320121599
Energy: 0.6784431948713338
Energy: 0.6955006507119276
Energy: 0.7728135036353787
Energy: 0.6955006507125033
Energy: 0.678443194870758
Energy: 0.6955006507107758
Energy: 0.7282283273870596
Energy: 0.6784431948701821
Energy: 0.6955006507119276
Energy: 0.7347546925053045
Energy: 0.6955006507125033
Energy: 0.678443194870758
Energy: 0.6955006507113517
Energy: 0.5946834198924065
Energy: 0.6784431948690303
Energy: 0.6955006507090483
Energy: 0.7318341514319535
Energy: 0.6955006507107758
Energy: 0.6784431948690303
Energy: 0.6955006507119276
Energy: 0.6033108709175307
Energy: 0.6784431948701821
Energy: 0.695500650713655
Energy: 0.738341142901619
Energy: 0.6955006507125033
Energy: 0.6784431948713338
Energy: 0.6955006507102001
Energy: 0.6394458284906632
Energy: 0.6784431948690303
Energy: 0.6955006507125033
Energy: 0.7014395465619122
Energy: 0.6955006507130791
Energy: 0.6784431948701821
Energy: 0.6955006507113517
Energy: 0.7441758047448397
Energy: 0.6784431948684545
Energy: 0.6955006507113517
Energy: 0.7318341514319535
Energy: 0.6955006507130791
Energy: 0.6784431948696061
Energy: 0.6955006507107758
Energy: 0.7086549861561848
Energy: 0.6784431948713338
Energy: 0.6955006507125033
Energy: 0.7383411429004673
Energy: 0.695500650713655
Energy: 0.6784431948724854
Energy: 0.6955006507125033
Energy: 0.6309866532275467
Energy: 0.6784431948696061
Energy: 0.6955006507119276
Energy: 0.7264607506991355
Energy: 0.695500650713655
Energy: 0.678443194870758
Energy: 0.6955006507125033
Energy: 0.7441758047488707
Energy: 0.6784431948701821
Energy: 0.6955006507119276
Energy: 0.7318341514319535
Energy: 0.6955006507153564
Energy: 0.6784431948701821
Energy: 0.6955006507119276
Energy: 0.6309866532298499

minimum gb energy = 0.4983326244070059 eV
minimum distance =  2.5019481042348 Angstroms
sigma value = 23