Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650822877884
cohesive_energy=3.3602642806077534
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.94765107381162e-19, 4.1539633589717995e-19, 4.3350093186138e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-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: 0.011713306563957552
Energy: 0.06258543768189481
Energy: 0.06163555506878636
Energy: 0.06147295122690898
Energy: 0.012293179244948198
Energy: 0.012627897542909177
Energy: 0.06204102587962933
Energy: 0.06155820024997114
Energy: 0.06148534840767977
Energy: 0.012250325377876691
Energy: 0.06168416744285944
Energy: 0.23956022656881615
Energy: 0.06235818856105388
Energy: 0.06130967783875796
Energy: 0.06140299759824292
Energy: 0.061726122323809356
Energy: 0.06117547625699294
Energy: 0.06220391720279695
Energy: 0.06137982848791464
Energy: 0.06156041281496729
Energy: 0.06146022398733347
Energy: 0.012292478180784395
Energy: 0.012031160106407252
Energy: 0.06223093821067168
Energy: 0.061379155525172285
Energy: 0.06140814227473283
Energy: 0.012200513965898009
Energy: 0.012024924913856885
Energy: 0.06167413635943476
Energy: 0.06150510178885359
Energy: 0.06140266291109321
Energy: 0.012307511166644492
Energy: 0.012250941309029907
Energy: 0.06134944668642561
Energy: 0.06153244432245745
Energy: 0.061359749036882356
Energy: 0.01217667559088975
Energy: 0.012130221009035352
Energy: 0.24083051702643954
Energy: 0.06151409149762046
Energy: 0.0613935565041084
Energy: 0.06147523686349502
Energy: 0.06140246674470009
Energy: 0.012056818609753302
Energy: 0.012157299408587447
Energy: 0.06140878461525235
Energy: 0.06152404627422476
Energy: 0.06147433462366744
Energy: 0.012205106325239962
Energy: 0.23959592650072958
Energy: 0.06140601467074682
Energy: 0.06117933382163174
Energy: 0.06166637836178503
Energy: 0.012148080135315605
Energy: 0.012277209936742216
Energy: 0.061278514540005796
Energy: 0.0612967657059052
Energy: 0.062462106793878654
Energy: 0.012215622586821429
Energy: 0.012285533020513925
Energy: 0.012419164693898114
Energy: 0.061218308807056
Energy: 0.06141535980429221
Energy: 0.06317903549703491
Energy: 0.06134635438398062
Energy: 0.012479806497062637
Energy: 0.061265297082980195
Energy: 0.061443845521499806
Energy: 0.061912835776575935
Energy: 0.06143348319164318

minimum gb energy = 0.011713306563957552 eV
minimum distance =  2.82515437184395 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.6223050676850226
Energy: 0.5929201931507674
Energy: 0.5943118365725364
Energy: 0.6315486255696652
Energy: 0.797194291736263
Energy: 0.6309841204558899
Energy: 0.5911863162959263
Energy: 0.5914325991405742
Energy: 0.6170282276060338
Energy: 0.6122441350108835
Energy: 0.7104159471040329
Energy: 0.628721925203601
Energy: 0.5381936594760423
Energy: 0.5844813362148076
Energy: 0.5861932833769449
Energy: 0.6864068407536277
Energy: 0.5952479427803377
Energy: 0.532434263578296
Energy: 0.5975006584288599
Energy: 0.5844927802182874
Energy: 0.706815786466224
Energy: 0.5156784003110976
Energy: 0.5720573628396608
Energy: 0.5548865333670909
Energy: 0.5541992902191223
Energy: 0.707014191605421
Energy: 0.5180158309859624
Energy: 0.610771819437709
Energy: 0.5874184635580717
Energy: 0.5824009470090442
Energy: 0.6498240226877202
Energy: 0.5150350554393728
Energy: 0.5526634799734992
Energy: 0.5545494124040913
Energy: 0.5517938265757368
Energy: 0.617495815925159
Energy: 0.5997910446315482
Energy: 0.5957984231094197
Energy: 0.5861117304131167
Energy: 0.5907811437025257
Energy: 0.5896271100798751
Energy: 0.7031922842620002
Energy: 0.5537679086744659
Energy: 0.55924473928465
Energy: 0.5582735468240287
Energy: 0.5896444009261197
Energy: 0.6948796835366009
Energy: 0.5554903499885044
Energy: 0.5613435446128607
Energy: 0.6966629556668512
Energy: 0.8238342710867227
Energy: 0.5763231037824097
Energy: 0.5535792864493004
Energy: 0.6665122493363326
Energy: 0.672744875300907
Energy: 0.588030970106091
Energy: 0.5780766630092807
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Energy: 0.6721808788669741
Energy: 0.6007421941881921
Energy: 0.6048914199421841
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Energy: 0.6010807968019293
Energy: 0.6037750619846923
Energy: 0.6009199908896905
Energy: 0.5576284170410825
Energy: 0.6071172284166537
Energy: 0.597655867390693
Energy: 0.6357463241750773
Energy: 0.6320156610730243
Energy: 0.5422921494155276
Energy: 0.6355884744841153
Energy: 0.5986362903868866
Energy: 0.6331154320103433
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Energy: 0.541667607633509
Energy: 0.6032542323356215
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Energy: 0.5421486521847036
Energy: 0.5628550140640558
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Energy: 0.6350830515993049
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Energy: 0.6041308710749569
Energy: 0.6515020969785685
Energy: 0.6958701374624698
Energy: 0.5671621306107575
Energy: 0.5890505700158478
Energy: 0.6038188866103462
Energy: 0.6529360221268076
Energy: 0.6564305556728277
Energy: 0.7949985661258226
Energy: 0.6319026748560533
Energy: 0.6014220720425754
Energy: 0.6031307862266355
Energy: 0.6325187365945093
Energy: 0.7949750720292628
Energy: 0.6318341719076562
Energy: 0.6002952973179431
Energy: 0.6052609208530761
Energy: 0.6328324398768818
Energy: 0.5689866696003947
Energy: 0.7076647182350854
Energy: 0.6326103508861896
Energy: 0.5425857773949122
Energy: 0.5414345432683364
Energy: 0.5695835740473882
Energy: 0.6326961796593797
Energy: 0.6042071491241138
Energy: 0.5437686670866624
Energy: 0.5428347526428178
Energy: 0.5544287507229981
Energy: 0.7041113742398748
Energy: 0.5164259263524807
Energy: 0.6013394764261187
Energy: 0.5547384457844284
Energy: 0.5536901076197787
Energy: 0.7048226977424733
Energy: 0.5195781172261639
Energy: 0.6151976363076036
Energy: 0.5547696739427409
Energy: 0.5506884481512438
Energy: 0.5730260501866402
Energy: 0.5156360493871799
Energy: 0.5515707722021608
Energy: 0.5606815003531687
Energy: 0.5507743000550134
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Energy: 0.579397213980677
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Energy: 0.5608887679612309
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Energy: 0.6068372282664524
Energy: 0.7041209803778392
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Energy: 0.5541968042850224
Energy: 0.6034052271620688
Energy: 0.7058515862727085
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Energy: 0.5987669676930646
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Energy: 0.8212189776365139
Energy: 0.5972761291412402
Energy: 0.5537384574653623
Energy: 0.6672358263751439
Energy: 0.6742241597683112
Energy: 0.5846295056846652
Energy: 0.5528551532271474
Energy: 0.6330766661422069
Energy: 0.66566794174662
Energy: 0.6026784502773044
Energy: 0.6166073882159258
Energy: 0.5852059820760683
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Energy: 0.6013183152919126
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Energy: 0.6084297709666763
Energy: 0.5797817787201751
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Energy: 0.604987308744959
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Energy: 0.6347853107708895
Energy: 0.7012300923242561
Energy: 0.5587859633208307
Energy: 0.6351653734134003
Energy: 0.5976664473926293
Energy: 0.6342047650239568
Energy: 0.6682691145950377
Energy: 0.5436473742748104
Energy: 0.6041880297605478
Energy: 0.6054610839420621
Energy: 0.5406356156525836
Energy: 0.5858492395526682
Energy: 0.6582622636993637
Energy: 0.6331314371390883
Energy: 0.6055889581253735
Energy: 0.5417456138491614
Energy: 0.5698003111626875
Energy: 0.656825185909753
Energy: 0.6339839108368764
Energy: 0.5428156028637956
Energy: 0.5568551578212566
Energy: 0.5553493644804782
Energy: 0.6115943482748515
Energy: 0.5130072166951382
Energy: 0.5423973578611753
Energy: 0.5542570358073915
Energy: 0.5542667963236744
Energy: 0.5731332044716112
Energy: 0.5130686171682337
Energy: 0.6134264449869931
Energy: 0.5514355258975192
Energy: 0.5567011713072786
Energy: 0.5983943447620927
Energy: 0.5178492625316871
Energy: 0.6083769217108168
Energy: 0.5548931465025949
Energy: 0.5545387876880664
Energy: 0.6059750052461772
Energy: 0.518835850353569
Energy: 0.6986770080608535
Energy: 0.5573967170742004
Energy: 0.5582975756750096
Energy: 0.592929608714466
Energy: 0.6802671615979835
Energy: 0.6709183965257964
Energy: 0.5590323037798558
Energy: 0.5574599247873282
Energy: 0.600544709222191
Energy: 0.6279116320273621
Energy: 0.5871489552773768
Energy: 0.6322040859134582
Energy: 0.7077557489505985
Energy: 0.5847306007910055
Energy: 0.684715635111859
Energy: 0.559552227584602
Energy: 0.7086502472584073
Energy: 0.6978824928459005
Energy: 0.8209538561771249
Energy: 0.6878139005171883
Energy: 0.610696965194238
Energy: 0.594755888644789
Energy: 0.6069167798087838
Energy: 0.6444780529640239
Energy: 0.6993250545024535
Energy: 0.5819982303758885
Energy: 0.5843032515836692
Energy: 0.5897014329355236
Energy: 0.6433281369423614
Energy: 0.6556018274544073
Energy: 0.5845695339231844
Energy: 0.5357601891292377
Energy: 0.5927399701778466
Energy: 0.5945379102221728
Energy: 0.6318327895740932
Energy: 0.5944354828023609
Energy: 0.5410195798797603
Energy: 0.5905193778091827
Energy: 0.5907340844932268
Energy: 0.617664804447972

minimum gb energy = 0.5130072166951382 eV
minimum distance =  2.4719384183128 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.6014124261271404
Energy: 0.5953692383384187
Energy: 0.6052197132331719
Energy: 0.7204423330243828
Energy: 0.9408547883479744
Energy: 0.6051056953235047
Energy: 0.5991722470678554
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Energy: 0.699239717977094
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Energy: 0.596226795216887
Energy: 0.6012893406044916
Energy: 0.604404360652037
Energy: 0.5490472871451063
Energy: 0.5858618205513652
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Energy: 0.5372424710470192
Energy: 0.617069710208782
Energy: 0.5724259584579519
Energy: 0.6660176838235401
Energy: 0.776810055425783
Energy: 0.6045749151698915
Energy: 0.5738012207708308
Energy: 0.605927842873823
Energy: 0.5705019239458472
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Energy: 0.6034303389232032
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Energy: 0.5875974156361863
Energy: 0.5919519804827101
Energy: 0.5767970484029228
Energy: 0.5883359282299805
Energy: 0.6020829240323364
Energy: 0.5321751076803145
Energy: 0.5713856809178011
Energy: 0.5775532194857591
Energy: 0.6203230249931572
Energy: 0.602079272707269
Energy: 0.6075581633526556
Energy: 0.5711597117688757
Energy: 0.5950012625426753
Energy: 0.6119367247274924
Energy: 0.5426329778807262
Energy: 0.5861421277473338
Energy: 0.5608269785622123
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Energy: 0.6200189805490688
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Energy: 0.586898188538483
Energy: 0.5692549655731379
Energy: 0.5794609318475132
Energy: 0.611761342491585
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Energy: 0.5892280057446936
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Energy: 0.6071905902567494
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Energy: 0.5834606253595898
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Energy: 0.61436483490775
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Energy: 0.5990114286991852
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Energy: 0.5515095457677414
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Energy: 0.6306456903122276
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Energy: 0.6217444047015105
Energy: 0.5576550105784607
Energy: 0.6117772709311516
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Energy: 0.6277059072130733
Energy: 0.7922561491990197
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Energy: 0.7189008719852367
Energy: 0.5641905836080952
Energy: 0.5774043365167151
Energy: 0.5802327059339326
Energy: 0.6167483919407705
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Energy: 0.5520054043002992
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Energy: 0.574411610921431
Energy: 0.7039244529495097
Energy: 0.6051110375977472
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Energy: 0.6322267988859247
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Energy: 0.5764106708267202
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minimum gb energy = 0.5311929742913953 eV
minimum distance =  2.53522834406383 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.5994852423281114
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Energy: 0.6860725461815869
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Energy: 0.6159902830813173
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Energy: 0.6843428043578275
Energy: 0.6249727952353357
Energy: 0.5814436256804947
Energy: 0.6587200185536092
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Energy: 0.6311225071504618
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Energy: 0.5727968462610834
Energy: 0.6339817433475353
Energy: 0.6331326680469542
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Energy: 0.5932726218035287
Energy: 0.5963062581148657
Energy: 0.66545899867237
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Energy: 0.6745641406013285
Energy: 0.9325043712982019
Energy: 0.6678347203803808
Energy: 0.6560736123592471
Energy: 0.6503530543767884
Energy: 0.6743545075503837
Energy: 0.5731765786409094
Energy: 0.6463373292052644
Energy: 0.6427714839269548
Energy: 0.6346395420972517
Energy: 0.6348060061630987
Energy: 0.6673074087900304
Energy: 0.6355597340121477
Energy: 0.639933937590706
Energy: 0.6465612094486081
Energy: 0.6381511323262009
Energy: 0.6351488431383917
Energy: 0.6365348377355828
Energy: 0.6359714755224075
Energy: 0.6495408547071384
Energy: 0.6160570800040504
Energy: 0.6356561795314483
Energy: 0.6306089945609529
Energy: 0.6310280929256371
Energy: 0.6327945674184987
Energy: 0.6041687201288521
Energy: 0.6626153187688969
Energy: 0.5844301316225696
Energy: 0.636710223525093
Energy: 0.6350241911389352
Energy: 0.6048807455737817
Energy: 0.6465382535497092
Energy: 0.6406498912907218
Energy: 0.6355971399988951
Energy: 0.6345681560296749
Energy: 0.604135197035334
Energy: 0.661909362863794
Energy: 0.5973787485580968
Energy: 0.6399942840401865
Energy: 0.6383915088869004
Energy: 0.5749222023966661
Energy: 0.6495049379943576
Energy: 0.5973634241787718
Energy: 0.6393946537726138
Energy: 0.6402217838608505
Energy: 0.5767330695378887
Energy: 0.6592699591694322
Energy: 0.6395006133153557
Energy: 0.6740706140244935
Energy: 0.7370711617209189
Energy: 0.6645101830408691
Energy: 0.5962626134067932
Energy: 0.6823097906825575
Energy: 0.6760435763523819
Energy: 0.7358179501525427
Energy: 0.6875609129785849
Energy: 0.634926603583713
Energy: 0.5956738849716773
Energy: 0.5902560152748201
Energy: 0.6093572008881128
Energy: 0.6305923100111244
Energy: 0.6319110063581033
Energy: 0.5929565841437071
Energy: 0.5963391591282835
Energy: 0.6223635411644587
Energy: 0.6384088216076974
Energy: 0.604975853537263
Energy: 0.5925130552946983
Energy: 0.5883526402959572
Energy: 0.5885421760860035
Energy: 0.6032031960429456
Energy: 0.6008982603775023
Energy: 0.5935503119727995
Energy: 0.5862505186511449
Energy: 0.588407021148434
Energy: 0.6787701651687166

minimum gb energy = 0.554703420257091 eV
minimum distance =  2.490265027806 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.7209165151225423
Energy: 0.6082874422368929
Energy: 0.5691832035746965
Energy: 0.6215815151600554
Energy: 0.6375871532386349
Energy: 0.7214103031373172
Energy: 0.6207769366787793
Energy: 0.5692101519325715
Energy: 0.6214197510665671
Energy: 0.6373789539933673
Energy: 0.6468577396472388
Energy: 0.6211102104559961
Energy: 0.6084435235570185
Energy: 0.608392159095805
Energy: 0.6090881560145097
Energy: 0.6090892344120207
Energy: 0.623025679582531
Energy: 0.6072826628241721
Energy: 0.6092762195022113
Energy: 0.6072033570575878
Energy: 0.608770262807823
Energy: 0.7045302603648953
Energy: 0.6447167742273677
Energy: 0.6080427978835957
Energy: 0.6372149765242978
Energy: 0.6081831898641019
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Energy: 0.637452584274863
Energy: 0.6385563030712952
Energy: 0.6078857881575384
Energy: 0.6196941227121803
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Energy: 0.7304138109514158
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Energy: 0.6196955553225191
Energy: 0.6084454562438285
Energy: 0.7302180814460469
Energy: 0.6069331061782002
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Energy: 0.606642637376067
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Energy: 0.6068495864833182
Energy: 0.6069499687742475
Energy: 0.608233262342432
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Energy: 0.6074207078836112
Energy: 0.6067532756193613
Energy: 0.6584250264694738
Energy: 0.6986604882815748
Energy: 0.6078557219133142
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Energy: 0.5650408997536599
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Energy: 0.6219052679344746
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Energy: 0.6455616235437077
Energy: 0.6595731502881838
Energy: 0.5845117892775759
Energy: 0.6373771320820661
Energy: 0.6078847887515293
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Energy: 0.5619618959686643
Energy: 0.5716885754553687
Energy: 0.6082966777123254
Energy: 0.6093879469630062
Energy: 0.6369589258256547
Energy: 0.6074769802419159
Energy: 0.619922470468595
Energy: 0.6082282163643152
Energy: 0.6075576566119939
Energy: 0.6089163202479589
Energy: 0.6467646619604648
Energy: 0.6197442876003303
Energy: 0.6080694474043702
Energy: 0.6075179479201868
Energy: 0.6092859023824557
Energy: 0.6084056966947283
Energy: 0.6081095003925421
Energy: 0.633187655966504
Energy: 0.64437125992425
Energy: 0.7236232469191967
Energy: 0.6601439418767943
Energy: 0.6086282568137409
Energy: 0.6320870808531526
Energy: 0.6449296345835744
Energy: 0.7232322933235774
Energy: 0.6230530180994354
Energy: 0.6090980471809129
Energy: 0.6078495143406689
Energy: 0.6072256607977282
Energy: 0.623175512358762
Energy: 0.623291530998172
Energy: 0.6778419739765967
Energy: 0.6075346366657909
Energy: 0.6068323733524984
Energy: 0.6377490706235047
Energy: 0.6067499811009696
Energy: 0.6063546622331605
Energy: 0.6064599468876245
Energy: 0.6251163034864615
Energy: 0.5692919835453769
Energy: 0.6053376525817231
Energy: 0.6998947107815631
Energy: 0.6064603965695846
Energy: 0.6253724066970366
Energy: 0.5700754648545142
Energy: 0.6069055398985479
Energy: 0.6431116352048236
Energy: 0.6074143945770268
Energy: 0.5656956619538775
Energy: 0.6081210832833124
Energy: 0.6074216330469112
Energy: 0.6185828875860708
Energy: 0.5691341884565079
Energy: 0.5639013928507889
Energy: 0.6086069676433882
Energy: 0.6080392682885488
Energy: 0.6079059114938558
Energy: 0.6224670068298567
Energy: 0.5703560465701207
Energy: 0.6223004890164968
Energy: 0.6622800441902864
Energy: 0.6078733731586362
Energy: 0.6222731369985437
Energy: 0.5713117288437237
Energy: 0.6214014737979783

minimum gb energy = 0.5619618959686643 eV
minimum distance =  2.57317439425037 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.6683158118024125
Energy: 0.5646988707179142
Energy: 0.5396108632860073
Energy: 0.5680269174557211
Energy: 0.581240006790536
Energy: 0.582431444558752
Energy: 0.5645664052264205
Energy: 0.5925902026536642
Energy: 0.5686841627286329
Energy: 0.5802020172637231
Energy: 0.6294962614961039
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Energy: 0.5602055154673944
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Energy: 0.5829918703706849
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Energy: 0.5817023900778981
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Energy: 0.6114511821258525
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Energy: 0.6340447322655935
Energy: 0.5819495293009873
Energy: 0.5810287532675065
Energy: 0.6059978719866834
Energy: 0.582602179472541
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Energy: 0.6177801759913207
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Energy: 0.6654035115617586
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Energy: 0.5844703415169953
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Energy: 0.5808952699823335
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Energy: 0.5831623635860179
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Energy: 0.5591552240040837
Energy: 0.6234005163959384
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Energy: 0.579540789629806
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Energy: 0.5790494079825478
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Energy: 0.5817815854667505
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Energy: 0.5825981680953467
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Energy: 0.5835732270613182
Energy: 0.5815247250991262
Energy: 0.5857538521804304
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Energy: 0.6250113457336216
Energy: 0.5808420710342298
Energy: 0.6248428315284545
Energy: 0.5585801863565047
Energy: 0.5592885024143717
Energy: 0.5566359490986467
Energy: 0.5800628603100728
Energy: 0.6017143469240591
Energy: 0.5586090604709169
Energy: 0.5588682685755275
Energy: 0.5571991738123709
Energy: 0.5913200598448077
Energy: 0.6212263380155616
Energy: 0.5579791683355122
Energy: 0.5663624689169318
Energy: 0.5668043246455254
Energy: 0.58938228359013
Energy: 0.6252927508419247
Energy: 0.5579899881026396
Energy: 0.5657865231173418
Energy: 0.5668307827606849
Energy: 0.5810308380924412
Energy: 0.5807568919350677
Energy: 0.5801347017247821
Energy: 0.5896267132375894
Energy: 0.55940077150784
Energy: 0.5847676311260691
Energy: 0.5807087198618035
Energy: 0.5794784974562306
Energy: 0.5891695114096082
Energy: 0.5585901272722408
Energy: 0.6715895690688402
Energy: 0.5594733105969609
Energy: 0.5870304949756832
Energy: 0.5573782674588523
Energy: 0.5872268527977926
Energy: 0.5839045860226884
Energy: 0.5589826450668204
Energy: 0.5842139353855972
Energy: 0.559399226168089
Energy: 0.5913154457094082

minimum gb energy = 0.5357618782441843 eV
minimum distance =  2.61180904601508 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.3334233271130531
Energy: 0.4021450109796378
Energy: 0.4008730356301729
Energy: 0.40043159836339093
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Energy: 0.39271483322005146
Energy: 0.3855578878227735
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Energy: 0.39937933155872557
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Energy: 0.38846833408987036
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Energy: 0.39860955225611877
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Energy: 0.3919529673140998
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Energy: 0.39583916494232513
Energy: 0.39550048065650434
Energy: 0.28252898240752355
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Energy: 0.2825956420875808
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Energy: 0.4193860778454371
Energy: 0.38083738990287486
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Energy: 0.2967401535449437
Energy: 0.4032606848601783
Energy: 0.4228619739854176
Energy: 0.4021527714871963
Energy: 0.2765708909270159
Energy: 0.27641318733196785
Energy: 0.3927687981466616
Energy: 0.40529793774852274
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Energy: 0.29510065419424486
Energy: 0.29495921146852555
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Energy: 0.40311593451447514
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Energy: 0.3999261023574524
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Energy: 0.3980420162915003
Energy: 0.4129090999911188
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Energy: 0.3986388728795258
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Energy: 0.4039693620282633
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Energy: 0.41382861128817716
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Energy: 0.42023055339975046
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Energy: 0.2764385115547941
Energy: 0.2764044297676974
Energy: 0.40111691231654867
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Energy: 0.39116786389124764
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Energy: 0.42218067930866127
Energy: 0.3926259972599729
Energy: 0.40571157419618215
Energy: 0.2940149700959159
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Energy: 0.39802627360179543
Energy: 0.3997582479052098
Energy: 0.38129078152311874
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Energy: 0.40316705367709066
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Energy: 0.38107410558643634
Energy: 0.39864808726670065
Energy: 0.39811229001836945
Energy: 0.40390762154844206
Energy: 0.2960942706440628
Energy: 0.39440579987643287
Energy: 0.4035887839088798
Energy: 0.39048330456036767
Energy: 0.27699305464178225
Energy: 0.2800356140453185
Energy: 0.3890878376930533
Energy: 0.40223508683738407
Energy: 0.40797940763242674
Energy: 0.29532569655355007
Energy: 0.29880041062085577
Energy: 0.40490111982058635
Energy: 0.3956662072109373
Energy: 0.40229054821033505
Energy: 0.3807849525112801
Energy: 0.39684420142799826
Energy: 0.4063614942295616
Energy: 0.4033519215607603
Energy: 0.3912408922469005
Energy: 0.38537541372989226
Energy: 0.42479073364561365
Energy: 0.39631730039030816
Energy: 0.39591320946998704
Energy: 0.38744145094483057
Energy: 0.33391135807238076
Energy: 0.40287684340466495
Energy: 0.42554723282273216
Energy: 0.3991977789509523
Energy: 0.3910904645516568
Energy: 0.2765140165572115
Energy: 0.4198023988318907
Energy: 0.41943490032330727
Energy: 0.41765833592092694
Energy: 0.3337782865118686

minimum gb energy = 0.2764044297676974 eV
minimum distance =  2.68635705998417 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.6287608439136212
Energy: 0.5251684457218251
Energy: 0.5267390021365459
Energy: 0.5279249529553713
Energy: 0.5355315511621423
Energy: 0.5855528904896505
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Energy: 0.5196555058092376
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Energy: 0.5717765587975473
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Energy: 0.5542129961944487
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Energy: 0.5376170795589896
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Energy: 0.5837358946194232
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Energy: 0.55087384644179
Energy: 0.546000931816993
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Energy: 0.5710310073423362
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Energy: 0.5788841278886765
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Energy: 0.5483126237869218
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Energy: 0.5711666013047446
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Energy: 0.6015393614220789
Energy: 0.5756991264877834
Energy: 0.5486096766937817
Energy: 0.5357523496322754
Energy: 0.5356282998077303
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Energy: 0.550042023537161
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Energy: 0.5257749711885504
Energy: 0.584963738052587
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Energy: 0.5384598864990103
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Energy: 0.5382614004099708
Energy: 0.5679039431260184
Energy: 0.5329971804641621
Energy: 0.5263675804817985
Energy: 0.5262800817270428
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Energy: 0.5366377286308007
Energy: 0.51965478928784
Energy: 0.5072079566812312
Energy: 0.5250130441841347
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Energy: 0.5253349647583478
Energy: 0.5447933710406105
Energy: 0.5197706881381907
Energy: 0.5455704974374715

minimum gb energy = 0.5064401415042481 eV
minimum distance =  2.53195737285592 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.8376369662275065
Energy: 0.6498385042736117
Energy: 0.6247035158484119
Energy: 0.6363560081094044
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Energy: 0.6301330445833414
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Energy: 0.6133920563415552
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Energy: 0.597749560665707
Energy: 0.6300070994897865
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Energy: 0.6521755651705456
Energy: 0.6302734700521254
Energy: 0.6238065039816489
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Energy: 0.6520172866992697
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Energy: 0.6303761852198317
Energy: 0.6535483678260422
Energy: 0.6692811403802287
Energy: 0.6714982716046003
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Energy: 0.6474404398786949
Energy: 0.7057443292476518
Energy: 0.63931978203104
Energy: 0.60286575045835
Energy: 0.6020844222203806
Energy: 0.6468546250032989

minimum gb energy = 0.5866823329378834 eV
minimum distance =  2.57203158463642 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.9573383680564657
Energy: 0.699120500873675
Energy: 0.6718460987929533
Energy: 0.6343899961139742
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Energy: 0.9576162508057356
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Energy: 0.6481323009933659
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Energy: 0.6525478372833865
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Energy: 0.7221641621879521
Energy: 0.6323749614283289
Energy: 0.6561388491538157
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minimum gb energy = 0.6188277689120869 eV
minimum distance =  2.52269211074708 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.7047043300531421
Energy: 0.6190538186051987
Energy: 0.6189734384303298
Energy: 0.6189171175182723
Energy: 0.6364078546517147
Energy: 0.6615686212575891
Energy: 0.65584474381014
Energy: 0.6184789723110776
Energy: 0.6553941454183148
Energy: 0.595517686929385
Energy: 0.6804499558938187
Energy: 0.6189573962039177
Energy: 0.6202369787795177
Energy: 0.6655138344396198
Energy: 0.5956675968646502
Energy: 0.670437562812786
Energy: 0.6191515688297493
Energy: 0.619122969934179
Energy: 0.6656402476290338
Energy: 0.655206190168883
Energy: 0.6392572478680915
Energy: 0.6197065959743815
Energy: 0.6192945329125943
Energy: 0.6206781369950499
Energy: 0.6983262580825944
Energy: 0.6394462881511939
Energy: 0.6188054834792454
Energy: 0.6569830655369038
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Energy: 0.6742782693698962
Energy: 0.6369184450593369
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Energy: 0.6749075602043143
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Energy: 0.6360888830841879
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Energy: 0.5961323215502269
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Energy: 0.6768829057224925
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Energy: 0.6762157247744071
Energy: 0.5964149050291997
Energy: 0.5963207704062902
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Energy: 0.6405278816449944
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Energy: 0.5969003262497177
Energy: 0.6196667498925947
Energy: 0.6409975407991884
Energy: 0.6733415378902128
Energy: 0.6334354166381341
Energy: 0.7030900650858579
Energy: 0.6196536245365194
Energy: 0.6183217241556487
Energy: 0.6379694188329765
Energy: 0.619361112845623
Energy: 0.6559109396904269
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Energy: 0.618660270136987
Energy: 0.6372874216310842
Energy: 0.6647677691848254
Energy: 0.6709243523695293
Energy: 0.6202014162255597
Energy: 0.6556595580904214
Energy: 0.6429678281472965
Energy: 0.6430956106186362
Energy: 0.670775022146922
Energy: 0.6198467186520857
Energy: 0.6721622015472607
Energy: 0.6400028906812033
Energy: 0.6955162891883688
Energy: 0.6390149323448736
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Energy: 0.6395548971645986
Energy: 0.7044072070093311
Energy: 0.6212330538480576
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Energy: 0.6555649958534959
Energy: 0.6396409468031025
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Energy: 0.6384996442808687
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Energy: 0.634761986383587
Energy: 0.6400523826495773
Energy: 0.6988066377635972
Energy: 0.681452018828787
Energy: 0.6467620591122692
Energy: 0.6330943419640822
Energy: 0.6390745812305905
Energy: 0.6181878295117414
Energy: 0.6679844797991095
Energy: 0.670200052344327
Energy: 0.6575257915563527
Energy: 0.639168881668767
Energy: 0.6184459221937568
Energy: 0.6685300548184148
Energy: 0.6365473353380907
Energy: 0.6567707340601255
Energy: 0.619279368292237
Energy: 0.6724078480121021
Energy: 0.6660127409208246
Energy: 0.5950606741744341
Energy: 0.618503933050315
Energy: 0.6193283411441981
Energy: 0.6738595614036857
Energy: 0.687582803661561
Energy: 0.5951076645105565
Energy: 0.6184483876384802
Energy: 0.6198980762934246
Energy: 0.6390043563991313
Energy: 0.6396641860737955
Energy: 0.6718266827325308
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Energy: 0.6384543763044422
Energy: 0.6560828087973093
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Energy: 0.6210798369627047
Energy: 0.6201902589996546
Energy: 0.617241742812441
Energy: 0.6654274823768782
Energy: 0.6689315073790868
Energy: 0.6426807457077229
Energy: 0.6201246824400733
Energy: 0.6173621961012009
Energy: 0.6609016934300498
Energy: 0.667969892996005
Energy: 0.6423156194249363
Energy: 0.6689250639222891
Energy: 0.6223768297148561
Energy: 0.6368479660690632
Energy: 0.6688130460844215
Energy: 0.596655540408269
Energy: 0.6946115503223417
Energy: 0.6183883434077436
Energy: 0.6687002632917832
Energy: 0.6188206141058095
Energy: 0.5966308871079249
Energy: 0.6404008787654601
Energy: 0.6202937135952474
Energy: 0.6312406326066682
Energy: 0.69202924342192
Energy: 0.5961351385538873
Energy: 0.6702446554021837
Energy: 0.619799956382828
Energy: 0.6390834417021047
Energy: 0.6933506715275385
Energy: 0.5962788612871938
Energy: 0.6552951608016322
Energy: 0.6196428608434119
Energy: 0.6398368730323798
Energy: 0.6933037850424324
Energy: 0.6397599000052608
Energy: 0.6565345314992609
Energy: 0.6195142409895876
Energy: 0.6397344144144299
Energy: 0.6955595868170684
Energy: 0.6350345734600612
Energy: 0.6715948228813584
Energy: 0.646621019618689
Energy: 0.6706236818918223
Energy: 0.6773220831511337
Energy: 0.6788514372801235
Energy: 0.6723310180090873
Energy: 0.6481036409402169
Energy: 0.6708405675494077
Energy: 0.6647103408406873
Energy: 0.6426428984472761
Energy: 0.6558726191466351
Energy: 0.6368074956680042
Energy: 0.6557390763284595
Energy: 0.6328876214554752
Energy: 0.6379817661629141
Energy: 0.6355746104322568
Energy: 0.6388193663475941
Energy: 0.7032773755934588
Energy: 0.6572372869204556
Energy: 0.6188556715673647
Energy: 0.6540213043825511
Energy: 0.6406170935636433
Energy: 0.6180218562126005
Energy: 0.6190037844388718
Energy: 0.6739120822200644
Energy: 0.6212989204086699
Energy: 0.6396953478035224
Energy: 0.6180152028511824
Energy: 0.6187420415485075
Energy: 0.6740847405221955
Energy: 0.5954001405313141
Energy: 0.6688266995825735
Energy: 0.6199191529190284
Energy: 0.6192162478623111
Energy: 0.6386748299237048
Energy: 0.5952388321708799
Energy: 0.6678007527176765
Energy: 0.6671761810713455
Energy: 0.6191252092163504
Energy: 0.59778030903204

minimum gb energy = 0.5947260500354612 eV
minimum distance =  2.5583075720829 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.5607073371013582
Energy: 0.5695035551134465
Energy: 0.6186327033930434
Energy: 0.6641924172850819
Energy: 0.5606962173299214
Energy: 0.5612661237592607
Energy: 0.5708660068922163
Energy: 0.6188709094263314
Energy: 0.664156943887391
Energy: 0.5609797167570936
Energy: 0.5966415407137522
Energy: 0.5702414862628006
Energy: 0.5716864998506629
Energy: 0.5707567584861322
Energy: 0.5715667898780049
Energy: 0.5976941064247262
Energy: 0.5706032067735898
Energy: 0.5610325172203413
Energy: 0.6653043079023953
Energy: 0.5703818701095636
Energy: 0.5719613711678735
Energy: 0.6634514534233324
Energy: 0.5701566661380215
Energy: 0.618793269196712
Energy: 0.5963642179359954
Energy: 0.5722618291295755
Energy: 0.663117004017826
Energy: 0.5699231039018041
Energy: 0.6189196652731114
Energy: 0.5951994836561111
Energy: 0.6198607267676184
Energy: 0.5610008319065265
Energy: 0.5610487238256285
Energy: 0.5719561315959567
Energy: 0.595441994475589
Energy: 0.619231261604397
Energy: 0.5611005078661913
Energy: 0.56099553805232
Energy: 0.5723358532816726
Energy: 0.5658975571649059
Energy: 0.663936715012581
Energy: 0.5608181487595898
Energy: 0.5607257418523522
Energy: 0.5961737936005111
Energy: 0.5701297467230378
Energy: 0.6654224906044992
Energy: 0.5609656221949065
Energy: 0.5608163536063019
Energy: 0.5975012832251034
Energy: 0.5710540465865357
Energy: 0.5705576547644592
Energy: 0.6190944329016234
Energy: 0.664237066761344
Energy: 0.5703785047897251
Energy: 0.5611261046786229
Energy: 0.6638137658645127
Energy: 0.6188437678770261
Energy: 0.6640272492985171
Energy: 0.5704247401242765
Energy: 0.5843002858886298
Energy: 0.5698699461007223
Energy: 0.5667059825462144
Energy: 0.5716358945230595
Energy: 0.5700235524138355
Energy: 0.5971158630097517
Energy: 0.5698755726342908
Energy: 0.5656928080622334
Energy: 0.5722379920800887
Energy: 0.5698077757034214
Energy: 0.5976489748152288
Energy: 0.6170574866157109
Energy: 0.5967819583386543
Energy: 0.5696711936850238
Energy: 0.560677335292412
Energy: 0.5610612952361969
Energy: 0.5692589996166525
Energy: 0.6914715454268799
Energy: 0.5697419145144089
Energy: 0.5605726635438935
Energy: 0.560824969404007
Energy: 0.5698858649461772
Energy: 0.5608563087447527
Energy: 0.5706814515382287
Energy: 0.5610086207845114
Energy: 0.5979918927906448
Energy: 0.570133783455685
Energy: 0.5712722334784168
Energy: 0.5713735575982349
Energy: 0.5609765766634169
Energy: 0.5953623240796505
Energy: 0.5705935692265186
Energy: 0.5700803637591968
Energy: 0.6913361369181326
Energy: 0.569857828048156
Energy: 0.6635956874905209
Energy: 0.5703968217854097
Energy: 0.5702324716204258
Energy: 0.6907301065466852
Energy: 0.570152859221304
Energy: 0.6637505445896749
Energy: 0.5609796734734529
Energy: 0.570867054763309
Energy: 0.5709931594186616
Energy: 0.5697972892812753
Energy: 0.5956267714682351
Energy: 0.5609193143051211
Energy: 0.5707297965394093
Energy: 0.5657292820050903
Energy: 0.5699347807202882
Energy: 0.5962922305302891
Energy: 0.5608249137800095
Energy: 0.570615446663678
Energy: 0.6185218696272711
Energy: 0.6641038649347367
Energy: 0.5607634478071819
Energy: 0.5613938924270896
Energy: 0.5695744388382656
Energy: 0.6187588763518453
Energy: 0.6641909667047637
Energy: 0.5609553305243131
Energy: 0.5957489314053376
Energy: 0.5701838466279109
Energy: 0.5710017193087609
Energy: 0.570708146089117
Energy: 0.5711966030332593
Energy: 0.5968157052989644
Energy: 0.5705169255698721
Energy: 0.5610174015464294
Energy: 0.6655265209669737
Energy: 0.5708672497232651
Energy: 0.5702794508043945
Energy: 0.6638320848023176
Energy: 0.5702149697004815
Energy: 0.6186141817647604
Energy: 0.5960538591335093
Energy: 0.5720580254032192
Energy: 0.6635351908060739
Energy: 0.5700002885819841
Energy: 0.6191179164019124
Energy: 0.5953853975916882
Energy: 0.6197646820632936
Energy: 0.5609712466100684
Energy: 0.5610538674288146
Energy: 0.5718000917116312
Energy: 0.5954774095811866
Energy: 0.6193516947997133
Energy: 0.5611190475363762
Energy: 0.5611041908258848
Energy: 0.5721390516236033
Energy: 0.5967809533887705
Energy: 0.6642966188600327
Energy: 0.5608510529923886
Energy: 0.5607241220268573
Energy: 0.598008127298796
Energy: 0.5702219367985516
Energy: 0.664691973756749
Energy: 0.5610262513184028
Energy: 0.5607907407959172
Energy: 0.5713762197892989
Energy: 0.5708756059319419
Energy: 0.5700389405423896
Energy: 0.6193334337353529
Energy: 0.6640587748897692
Energy: 0.5714031132274556
Energy: 0.5610375711666131
Energy: 0.6636446290698862
Energy: 0.6189942716099592
Energy: 0.6640501994272868
Energy: 0.5705357876018153
Energy: 0.5618662039553344
Energy: 0.569545929044571
Energy: 0.5667163830091599
Energy: 0.5716163721641785
Energy: 0.5700353149739718
Energy: 0.5968877104031118
Energy: 0.5697379748440121
Energy: 0.5657028651274734
Energy: 0.5697345502688707
Energy: 0.5699757389807458
Energy: 0.5956759440001212
Energy: 0.6151434352568734
Energy: 0.5968464662993983
Energy: 0.5698043253945293
Energy: 0.5606447764505273
Energy: 0.560960989358542
Energy: 0.5692152830354502
Energy: 0.5963611411607046
Energy: 0.5697676239840967
Energy: 0.5607007180692195
Energy: 0.560875490447005
Energy: 0.5698216957886241
Energy: 0.5608870584534353
Energy: 0.5708182978438232
Energy: 0.5610043817125145
Energy: 0.5979760379592602
Energy: 0.5702375993574293
Energy: 0.5710046344489128
Energy: 0.5714087674456424
Energy: 0.561040902615215
Energy: 0.5699639346023976
Energy: 0.5707111521596737
Energy: 0.5701557514367008
Energy: 0.691887752262538
Energy: 0.5700879253783909
Energy: 0.6640411040527553
Energy: 0.5703735348251303
Energy: 0.5701747726079399
Energy: 0.6907046093835523
Energy: 0.5701451709613046
Energy: 0.6637255971879742
Energy: 0.5609797738078466
Energy: 0.5704893685016128
Energy: 0.5708467798839023
Energy: 0.6189032461393718
Energy: 0.5955258552609349
Energy: 0.5609704818104653
Energy: 0.5705248902293204
Energy: 0.5656552377686037
Energy: 0.5699013662210612
Energy: 0.5960688107994961

minimum gb energy = 0.5605726635438935 eV
minimum distance =  2.58165884376411 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.015179716410116
Energy: 0.6109101046518037
Energy: 0.6310648365410111
Energy: 0.6758486990379728
Energy: 0.5988786347016816
Energy: 0.5965712817398239
Energy: 0.5971231089176837
Energy: 0.6398067756998673
Energy: 0.6646465681327685
Energy: 0.6385055857432893
Energy: 0.6024214902215693
Energy: 0.6317573023005144
Energy: 0.6097838259446171
Energy: 0.6050670265146015
Energy: 0.6400446176952905
Energy: 0.5960054523850311
Energy: 0.6494258096468135
Energy: 0.610214259186386
Energy: 0.6502516594745293
Energy: 0.6480139166842993
Energy: 0.6484313674773052
Energy: 0.612654450444875
Energy: 0.6107287402542931
Energy: 0.6312706527562212
Energy: 0.6784687579018233
Energy: 0.644296795851792
Energy: 0.6239120414245671
Energy: 0.6002903824576434
Energy: 0.628544627600711
Energy: 0.6753866808529833
Energy: 0.6706077504178587
Energy: 0.6249819755975486
Energy: 0.664132741973496
Energy: 0.6702979363856725
Energy: 0.679578591535713
Energy: 0.6066449506050074
Energy: 0.6256422795404172
Energy: 0.6685975144857961
Energy: 0.6623892643059377
Energy: 0.6765412097370561
Energy: 0.6054262444547786
Energy: 0.6059630403271165
Energy: 0.6580473986885119
Energy: 0.6028884136579759
Energy: 0.5952090904503035
Energy: 0.6027995367396867
Energy: 0.604751615411704
Energy: 0.6162964408795469
Energy: 0.6015626009832413
Energy: 0.5944048351822577
Energy: 0.7472074512549746
Energy: 0.6003062562686875
Energy: 0.6018112510086435
Energy: 0.6590183873589396
Energy: 0.7489135980279051
Energy: 0.6864429254172768
Energy: 0.600533524202198
Energy: 0.6017391461352715
Energy: 0.6678421481019532
Energy: 0.7487008853851465
Energy: 0.6020335247728786
Energy: 0.6010697930663844
Energy: 0.6286688476907109
Energy: 0.64955314838461
Energy: 0.6555962807854674
Energy: 0.6033497304567353
Energy: 0.6011862151710974
Energy: 0.629508884488999
Energy: 0.6369138191235985
Energy: 0.6327143127812447
Energy: 0.6170516429471025
Energy: 0.6017526576324307
Energy: 0.6247293595931513
Energy: 0.6517014857555563
Energy: 0.650980891943627
Energy: 0.6082518318888617
Energy: 0.6004464032511185
Energy: 0.6205927844902706
Energy: 0.6640712710996842
Energy: 0.622496836657791
Energy: 0.5982568348308496
Energy: 0.7519926611932588
Energy: 0.653085392218458
Energy: 0.6085758776009415
Energy: 0.601256089559606
Energy: 0.5981512149206847
Energy: 0.7201218798127652
Energy: 0.6211749382392824
Energy: 0.5972825151156308
Energy: 0.6012999599646468
Energy: 0.6351960762898716
Energy: 0.6126040900578881
Energy: 0.6069980133020708
Energy: 0.6059941259734624
Energy: 0.6007121160421758
Energy: 0.6090763571547927
Energy: 0.5984825135245755
Energy: 0.6061986227253169
Energy: 0.6059662941529291
Energy: 0.6121363830040967
Energy: 0.631722258239544
Energy: 0.671898626989516
Energy: 0.6071948612252471
Energy: 0.6076465694183704
Energy: 0.6069463989891009
Energy: 0.6412798823522016
Energy: 0.6257324192755062
Energy: 0.6057106556121014
Energy: 0.6075833586524937
Energy: 0.6070048983879992
Energy: 0.6727204381438624
Energy: 0.6548116911185304
Energy: 0.605078840993661
Energy: 0.5981608511193536
Energy: 0.738787389533742
Energy: 0.6731274864682646
Energy: 0.6567866449992414
Energy: 0.5985702368756445
Energy: 0.5981189897937829
Energy: 0.6426407955080863
Energy: 0.6626851907992574
Energy: 0.6015486268130298
Energy: 0.5957975925564
Energy: 0.5958703326144283
Energy: 0.6330767319461967
Energy: 0.6631749885771341
Energy: 0.6010862799364486
Energy: 0.6014762011802602
Energy: 0.5958064175520547
Energy: 0.6688028985884945
Energy: 0.6070417035591196
Energy: 0.6647723470677164
Energy: 0.5982623545518189
Energy: 0.689748682356502
Energy: 0.6434330437636079
Energy: 0.6074368626698735
Energy: 0.6656537537632431
Energy: 0.5920892440621114
Energy: 0.671154701414377
Energy: 0.66222065843033
Energy: 0.5996944422614365
Energy: 0.6327112656426732
Energy: 0.5981526777739857
Energy: 0.5995542623759441
Energy: 0.6038874285555272
Energy: 0.5998736194458775
Energy: 0.6739102263977322
Energy: 0.5984553005894648
Energy: 0.6067814659878789
Energy: 0.6090896881334875
Energy: 0.6895294713063428
Energy: 0.6969789376916522
Energy: 0.6749798367883428
Energy: 0.699197460029416
Energy: 0.6271751067147583
Energy: 0.6695748161167386
Energy: 0.6760873005489128
Energy: 0.6750937716692486
Energy: 0.6483276331794526
Energy: 0.666461864942927
Energy: 0.5965616859326567
Energy: 0.6026197531390507
Energy: 0.6528007905601805
Energy: 0.6330814990450774
Energy: 0.6816351078421032
Energy: 0.5964874294428275
Energy: 0.6017645184085143
Energy: 0.6250894337419814
Energy: 0.6415997490996296
Energy: 0.6812814350889494
Energy: 0.6398664921170382
Energy: 0.7438383655441824
Energy: 0.7204101683048801
Energy: 0.6391671906998265
Energy: 0.6033554161729737
Energy: 0.6439665209326881
Energy: 0.7216352430205243
Energy: 0.7213498904898633
Energy: 0.6017460370764935
Energy: 0.602703776472715
Energy: 0.6322443302591009
Energy: 0.6230823908774479
Energy: 0.6039865849335521
Energy: 0.6040576029234632
Energy: 0.6068811940954749
Energy: 0.6759521334111002
Energy: 0.6261259979699694
Energy: 0.6016891369304167
Energy: 0.6064944509991617
Energy: 0.6013844285180686
Energy: 0.5980735847723327
Energy: 0.6844781289897541
Energy: 0.693303620394632
Energy: 0.6017684939872188
Energy: 0.6014982787116293
Energy: 0.5978659445813324
Energy: 0.6590249951848743
Energy: 0.6961691915646642
Energy: 0.6020373162518792
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Energy: 0.6042375992582502
Energy: 0.6114030322768068
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Energy: 0.603321778660028
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Energy: 0.7435719031249077
Energy: 0.7223693035819501
Energy: 0.6367136852775279
Energy: 0.6026782520432441
Energy: 0.6748072030484813
Energy: 0.6340512571114126
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Energy: 0.601751154803965
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Energy: 0.6403725062754743
Energy: 0.6084893929102114
Energy: 0.601821383689262
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Energy: 0.6086556343822733
Energy: 0.6002174968878371
Energy: 0.6142394435228565
Energy: 0.6625389784719229
Energy: 0.6020872062995408
Energy: 0.6008547912552423
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Energy: 0.6088466041588828
Energy: 0.6186291639818301
Energy: 0.6019169098674554
Energy: 0.6001710181742881
Energy: 0.6147204163698735
Energy: 0.6584791887791687
Energy: 0.605164986455564
Energy: 0.6301732207723021
Energy: 0.6378848032864862
Energy: 0.6448939405631869
Energy: 0.6583378862465139
Energy: 0.6032063792308893
Energy: 0.6113729279643374
Energy: 0.7254906911575691
Energy: 0.6015633634206117
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Energy: 0.6035314899194355
Energy: 0.752115760914364
Energy: 0.5978049635270529
Energy: 0.5962925364988311
Energy: 0.5964148887392525
Energy: 0.6977760163671554
Energy: 0.7507278109094105
Energy: 0.5977387624960786
Energy: 0.6022849263402993
Energy: 0.6063728302568818
Energy: 0.6030969184250604
Energy: 0.6015894262976637
Energy: 0.6354756028770243
Energy: 0.6107173413075125
Energy: 0.6134858317743599
Energy: 0.6783055502165333
Energy: 0.6050528278939034
Energy: 0.6110274421359612
Energy: 0.6045659139718704
Energy: 0.5963886530494941
Energy: 0.6775857077283856
Energy: 0.672530794650213
Energy: 0.6275059516926378
Energy: 0.5970118569600357
Energy: 0.5973578683268339
Energy: 0.6758320743989357
Energy: 0.6505532626736422
Energy: 0.6528529542851382
Energy: 0.6142997357038915
Energy: 0.6687605367894166
Energy: 0.6005657226495169
Energy: 0.6186498436517649
Energy: 0.5923198532748001
Energy: 0.6002510075771061
Energy: 0.6633100337715694
Energy: 0.611503046556912
Energy: 0.6095869313438628
Energy: 0.6045834498777516

minimum gb energy = 0.5919592486249085 eV
minimum distance =  2.56012634168871 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.8075810952264274
Energy: 0.5751667270616687
Energy: 0.6478166393372811
Energy: 0.6415802044306573
Energy: 0.5823947589971156
Energy: 0.808267297145272
Energy: 0.635855693990342
Energy: 0.6377778407096394
Energy: 0.5712010722762136
Energy: 0.6884850627746179
Energy: 0.5696959158799793
Energy: 0.678451027073561
Energy: 0.675554768213612
Energy: 0.6761005041615273
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Energy: 0.5680872641870758
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Energy: 0.6393071014356582
Energy: 0.629413715784434
Energy: 0.6301535382218061
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Energy: 0.7504935196851886
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Energy: 0.7506664062460475
Energy: 0.6135947038961821
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Energy: 0.7359066760930955
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Energy: 0.6224381941512096
Energy: 0.6091458850165737
Energy: 0.6233152093414599
Energy: 0.6270131909855132
Energy: 0.5682045645908621
Energy: 0.6082610488910596
Energy: 0.7433307511245002
Energy: 0.7440160964084663
Energy: 0.6270969684073433
Energy: 0.6333099075147494
Energy: 0.6087210506458517
Energy: 0.7435305550759975
Energy: 0.6891887011390847
Energy: 0.5790240912304331
Energy: 0.7435668973397378
Energy: 0.5761906133541818
Energy: 0.7481870607317281
Energy: 0.613948908078667
Energy: 0.5780415992877765
Energy: 0.7678851613925157
Energy: 0.5753640886612434
Energy: 0.7550295058407095
Energy: 0.6118102167891366
Energy: 0.6177469646817535
Energy: 0.6378261649425054
Energy: 0.5705682101373732
Energy: 0.5646265055711629
Energy: 0.7543976997370687
Energy: 0.5667609380605935
Energy: 0.6092726049228343
Energy: 0.5722323795965664
Energy: 0.5645041766657747
Energy: 0.6803182887364307
Energy: 0.5692060684729334
Energy: 0.5679310365746723
Energy: 0.5672488160847332
Energy: 0.812911361026165
Energy: 0.571873143004423
Energy: 0.5685687647762777
Energy: 0.5677997750299503
Energy: 0.5681932458187973
Energy: 0.8132765579945316
Energy: 0.6131833941128181
Energy: 0.5732979111478389
Energy: 0.5751941375336911
Energy: 0.572129835834503
Energy: 0.6553383567230636
Energy: 0.5710769501793873
Energy: 0.5727138946328177
Energy: 0.5741134112826362
Energy: 0.5736345347153948
Energy: 0.6872872426632545
Energy: 0.571422538015097
Energy: 0.5694057193802243
Energy: 0.5703065490455963
Energy: 0.6383706709759686
Energy: 0.7569755029597818
Energy: 0.6268803024145148
Energy: 0.5699363037705872
Energy: 0.570664114890268
Energy: 0.7438227762103948
Energy: 0.6393008865817906
Energy: 0.6272961283097623
Energy: 0.6720272460380474
Energy: 0.5711296970114652
Energy: 0.7394885882919369
Energy: 0.5725264445118263
Energy: 0.5812698726119924
Energy: 0.6721827208458692
Energy: 0.576249315776193
Energy: 0.739528586529561
Energy: 0.5720955837396545
Energy: 0.6420520633832904

minimum gb energy = 0.5645041766657747 eV
minimum distance =  2.60832441327538 Angstroms
sigma value = 33