Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_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=4.044650807976723
cohesive_energy=3.3602642809003944
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, 2.6499200438043e-19, 3.0794475776133597e-19, 3.4213040060099395e-19, 3.70496937905964e-19, 3.9460328754112796e-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: 0.011713306648428009
Energy: 0.06258541864967689
Energy: 0.06163556037865692
Energy: 0.06147298639718664
Energy: 0.012293189881959477
Energy: 0.012627906365674544
Energy: 0.06204103250136013
Energy: 0.06155733222769198
Energy: 0.06148520752484331
Energy: 0.012250336501626916
Energy: 0.06168418400313604
Energy: 0.23956024296235962
Energy: 0.062358191817177305
Energy: 0.061374620905890284
Energy: 0.06140300357933795
Energy: 0.06172613503514342
Energy: 0.061175507253791964
Energy: 0.062203931090319936
Energy: 0.06137359477137368
Energy: 0.06156041522725476
Energy: 0.06146022774698946
Energy: 0.012292486338558959
Energy: 0.012031176470961283
Energy: 0.062230952755113256
Energy: 0.0614140211469167
Energy: 0.06140813967778236
Energy: 0.012200532814395593
Energy: 0.012024935041051947
Energy: 0.0616741276344937
Energy: 0.06152194241657194
Energy: 0.06140266956276188
Energy: 0.012307513890532959
Energy: 0.012250960763863455
Energy: 0.06134941916398714
Energy: 0.061530522883532446
Energy: 0.06135973537307509
Energy: 0.012176682580916245
Energy: 0.012130263485899812
Energy: 0.2408305306154007
Energy: 0.061514197208624076
Energy: 0.0613935245452281
Energy: 0.06147522096828554
Energy: 0.06140247153002846
Energy: 0.01205683003219935
Energy: 0.012157304547117418
Energy: 0.061408335707998966
Energy: 0.061524188132691865
Energy: 0.06147433324490707
Energy: 0.012205127018196836
Energy: 0.23959596229788868
Energy: 0.061406020618377265
Energy: 0.06127466798433852
Energy: 0.06166637952369033
Energy: 0.012148091927786321
Energy: 0.01227722368769971
Energy: 0.0612785116143178
Energy: 0.061468486008352134
Energy: 0.06246212387468155
Energy: 0.012215628931936343
Energy: 0.012285539349977915
Energy: 0.012419190433446678
Energy: 0.06121831112447154
Energy: 0.06141159970309049
Energy: 0.0631790393605259
Energy: 0.06134635295580535
Energy: 0.0124798126248065
Energy: 0.06126530064613133
Energy: 0.0614429598748392
Energy: 0.061912836621752565
Energy: 0.061433495083621954

minimum gb energy = 0.011713306648428009 eV
minimum distance =  2.8251539994593 Angstroms
sigma value = 3


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

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Energy: 0.6477060282161239
Energy: 0.6171639257124254
Energy: 0.6180853104156834
Energy: 0.6987570323247578
Energy: 0.638129709359721
Energy: 0.682866922347826
Energy: 0.6168428813669616
Energy: 0.6124845284163384
Energy: 0.6732329476988647
Energy: 0.6204649501890205
Energy: 0.7130316638196555
Energy: 0.6490570329277014
Energy: 0.5625114355213447
Energy: 0.529426997202083
Energy: 0.5326887950080649
Energy: 0.7058857251368306
Energy: 0.6171842485437585
Energy: 0.5555796610250892
Energy: 0.6243792668874509
Energy: 0.6096345276409504
Energy: 0.6761602124023625
Energy: 0.5627987520577428
Energy: 0.5282774548481547
Energy: 0.5257873347857622
Energy: 0.5294121124606278
Energy: 0.6726190545060543
Energy: 0.5665324232184017
Energy: 0.6096290586928834
Energy: 0.6066649974718756
Energy: 0.6154022962200383
Energy: 0.6138401530324075
Energy: 0.5621909329826827
Energy: 0.5291420226843006
Energy: 0.5237667664700261
Energy: 0.5460438607378625
Energy: 0.6487583443364909
Energy: 0.5463131382208392
Energy: 0.6116620710106281
Energy: 0.6064483886632712
Energy: 0.5322043020593599
Energy: 0.6329499543237606
Energy: 0.7196211886897217
Energy: 0.6136414420344449
Energy: 0.5930998304525156
Energy: 0.5279197998658346
Energy: 0.62788896312363
Energy: 0.7078957821447645
Energy: 0.5282886297988183
Energy: 0.53471905809866
Energy: 0.6871816426102422
Energy: 0.7172054922120554
Energy: 0.5871647958558793
Energy: 0.5822971602753478
Energy: 0.6959595928245244
Energy: 0.6375106719067333
Energy: 0.718729578280909
Energy: 0.5317154556040824
Energy: 0.5291060998917952
Energy: 0.6420314749332149
Energy: 0.6150565703261144
Energy: 0.616093909965089
Energy: 0.592790756415683
Energy: 0.5921800804803155
Energy: 0.5721743842459823
Energy: 0.6204619790714081
Energy: 0.6699111497888486
Energy: 0.5287558899975776
Energy: 0.601219215551915
Energy: 0.6201610169399306
Energy: 0.6150494209504188
Energy: 0.6517841795294205
Energy: 0.6834343837390258
Energy: 0.5904711002906025
Energy: 0.654659991109959
Energy: 0.6160276993322708
Energy: 0.6808566561778243
Energy: 0.6414182850042847
Energy: 0.4976481644335174
Energy: 0.6158017289376103
Energy: 0.6226278852777966
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Energy: 0.5933546269157628
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Energy: 0.6904129846281645
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Energy: 0.7149074925017466
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Energy: 0.6865423407097455
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Energy: 0.7160698634675448
Energy: 0.6885094745370954
Energy: 0.5348006855901448
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Energy: 0.5940035961332893
Energy: 0.6118816242493623
Energy: 0.6195495690859153
Energy: 0.6806698765283592
Energy: 0.6218831354237302
Energy: 0.6386459711385
Energy: 0.6793381669042117
Energy: 0.6210524164215819
Energy: 0.6213587494129468
Energy: 0.6827761270743301
Energy: 0.690305237309811
Energy: 0.6509732592978259
Energy: 0.6200644618212756
Energy: 0.6236294296819332
Energy: 0.6982867621938672
Energy: 0.4962638143419852
Energy: 0.6541351990338317
Energy: 0.6576799573473389
Energy: 0.5675930959780765
Energy: 0.5799794465642257
Energy: 0.5319536262115334
Energy: 0.7249532685447816
Energy: 0.616731844201637
Energy: 0.5649822662946178
Energy: 0.527719001015306
Energy: 0.5301527438131685
Energy: 0.6780307783931793
Energy: 0.5656390528932296
Energy: 0.6182087166816771
Energy: 0.5829495722558723
Energy: 0.5880004870544951
Energy: 0.6744813955917232
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Energy: 0.5333573967791387
Energy: 0.5280750143198217
Energy: 0.5297504992010086
Energy: 0.5750088739222192
Energy: 0.6507419170222264
Energy: 0.5881509910910692
Energy: 0.522854301274406
Energy: 0.594107885522675
Energy: 0.5694343000377646
Energy: 0.5961079787965488
Energy: 0.5288271725639121
Energy: 0.5225742281531608
Energy: 0.5291826875479794
Energy: 0.6398706952229823
Energy: 0.7112319304291568
Energy: 0.528934962143223
Energy: 0.533858979054672
Energy: 0.6250202016584638
Energy: 0.628746967157151
Energy: 0.7212555802786444
Energy: 0.5852842824744127
Energy: 0.5882790130795081
Energy: 0.6873610370319414
Energy: 0.7158378943182594
Energy: 0.5328231758733879
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Energy: 0.6613699805186457
Energy: 0.7173831235449067
Energy: 0.5893336195507641
Energy: 0.5957998091409318
Energy: 0.6947315518889027
Energy: 0.6317774240376904
Energy: 0.646028040493206
Energy: 0.6033300941922616
Energy: 0.6000980571667099
Energy: 0.6186096666219855
Energy: 0.6163454315339651
Energy: 0.6478899998120368
Energy: 0.5953941933170487
Energy: 0.5865669546643745
Energy: 0.61922428872919
Energy: 0.6153544912324327
Energy: 0.6803606728038417
Energy: 0.6987737664585518
Energy: 0.49643330477360814
Energy: 0.6526508840562584
Energy: 0.6159938621805972
Energy: 0.6524576365722048
Energy: 0.696299614714088
Energy: 0.5816186855088734
Energy: 0.6160745325896174
Energy: 0.616018799230864
Energy: 0.5928256513905138
Energy: 0.5013860500620669
Energy: 0.6386804053506611
Energy: 0.6561557306008599
Energy: 0.6247361747630218
Energy: 0.5702371709597792
Energy: 0.5326534179107352
Energy: 0.7104277002355708
Energy: 0.6523623779577353
Energy: 0.577221179637815
Energy: 0.5618678074816454
Energy: 0.5299188236264103
Energy: 0.5922344505578077
Energy: 0.6483514497650388
Energy: 0.5754232473242816
Energy: 0.6187077757765221
Energy: 0.588969555538479
Energy: 0.5883018406790168
Energy: 0.5870488082920203
Energy: 0.5313594265706544
Energy: 0.5351527158375521
Energy: 0.5307546701295408
Energy: 0.5415192225340035
Energy: 0.5652801564757624
Energy: 0.6032802175232206
Energy: 0.5895974722621224
Energy: 0.5882822021523852
Energy: 0.5590323504436177
Energy: 0.5953312093713528
Energy: 0.7279011680918452
Energy: 0.5318739385459574
Energy: 0.5328740459000386
Energy: 0.638094294236038
Energy: 0.6498730342057807
Energy: 0.642352165109936
Energy: 0.5286322937258646
Energy: 0.5328635690995109
Energy: 0.6795793146874707
Energy: 0.704327943450852
Energy: 0.6076051957318835
Energy: 0.5948502868823967
Energy: 0.7125613300688268
Energy: 0.7170449061673559
Energy: 0.6482418804175506
Energy: 0.5330854131273669
Energy: 0.739497014940464
Energy: 0.6420984220435744
Energy: 0.7155101580682544
Energy: 0.6873812936510699
Energy: 0.617864593660681
Energy: 0.6283608769094763
Energy: 0.6255609940574732
Energy: 0.6704015680897736
Energy: 0.672059590951538
Energy: 0.5316974799212054
Energy: 0.5537228509377534
Energy: 0.6124881865932214
Energy: 0.6723366932879274
Energy: 0.716447551739791
Energy: 0.7172293962220334
Energy: 0.5564294749635373
Energy: 0.6171069907019746
Energy: 0.6184891421048239
Energy: 0.6977555005775071
Energy: 0.6405237501879995
Energy: 0.5959500371661077
Energy: 0.6161525054348175
Energy: 0.6121653392578983
Energy: 0.6741256720614487

minimum gb energy = 0.4962638143419852 eV
minimum distance =  2.48103082471024 Angstroms
sigma value = 75


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

Energy: 1.0346545867207013
Energy: 0.5839572138465852
Energy: 0.5855023882892626
Energy: 0.5972880012919544
Energy: 0.723301333705721
Energy: 0.9680494884262253
Energy: 0.6017903306501948
Energy: 0.5892121626467114
Energy: 0.7232929088737183
Energy: 0.6996874174435194
Energy: 0.6022501987103598
Energy: 0.5909695100967578
Energy: 0.5908658880759821
Energy: 0.5974204358958969
Energy: 0.5664140858951258
Energy: 0.6038999170148862
Energy: 0.5718597680696027
Energy: 0.5870619717860601
Energy: 0.6089834020796024
Energy: 0.595117959370478
Energy: 0.6448655300530011
Energy: 0.7773605843183314
Energy: 0.6050743600781252
Energy: 0.5758964929080633
Energy: 0.5846696240137861
Energy: 0.5988650769289652
Energy: 0.7769531683934054
Energy: 0.6059044001448469
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Energy: 0.5850848996729385
Energy: 0.5864077895539845
Energy: 0.6049397489026282
Energy: 0.5920401870452087
Energy: 0.6240808566422639
Energy: 0.6027938653363953
Energy: 0.5651459309222178
Energy: 0.5720820074141765
Energy: 0.5740196072078347
Energy: 0.6215494453482117
Energy: 0.6026948100903801
Energy: 0.594796004641528
Energy: 0.5682096534970212
Energy: 0.5861653704168976
Energy: 0.6052834915830211
Energy: 0.5996028972162202
Energy: 0.5790708914616581
Energy: 0.5551589655228755
Energy: 0.5881313400927947
Energy: 0.6098209691909642
Energy: 0.6002441733163362
Energy: 0.5866900492397309
Energy: 0.74385627955164
Energy: 0.5926782381750179
Energy: 0.604222406929082
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Energy: 0.5661627090583662
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Energy: 0.5745608346931693
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Energy: 0.7140635135229335
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Energy: 0.6382090970656455
Energy: 0.555595516906572
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Energy: 0.6018203449828042
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Energy: 0.6126590698248133
Energy: 0.5952063017818454
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Energy: 0.5506209682592037
Energy: 0.6036016329797268
Energy: 0.7807260868637377
Energy: 0.7260696879838464
Energy: 0.5857112303956403
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Energy: 0.5811493287400991
Energy: 0.7834687314025144
Energy: 0.7375820189720128
Energy: 0.5692191061737154
Energy: 0.5528884761315539
Energy: 0.6056129609628487
Energy: 0.6142332688720236
Energy: 0.5905691206356194
Energy: 0.5714599780967352
Energy: 0.5841587440377406
Energy: 0.6090576736542953
Energy: 0.6158252954791495
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Energy: 0.5571184864197196
Energy: 0.7059849371936364
Energy: 0.55379766142893
Energy: 0.6221199121370903
Energy: 0.5847173618685171
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Energy: 0.5531299221639646
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Energy: 0.5998258475640691
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Energy: 0.5362874357508253
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Energy: 0.5634660598069068
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minimum gb energy = 0.5320779217435095 eV
minimum distance =  2.5268488892731 Angstroms
sigma value = 105


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

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Energy: 0.6096561550398961
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Energy: 0.6062208538224835
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Energy: 0.62418390520337
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Energy: 0.6353893343321603
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Energy: 0.5983253273684719
Energy: 0.5838877045946831
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Energy: 0.6350002594592207
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Energy: 0.5777785331480317
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Energy: 0.6221943142225458
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Energy: 0.6545186051509589
Energy: 0.6822829910890351
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Energy: 0.6623445784880425
Energy: 0.6363904503406187
Energy: 0.6863805636660562
Energy: 0.6264896572545084
Energy: 0.5712255715531018
Energy: 0.5931485420770328
Energy: 0.6366867339922955
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Energy: 0.6198589234656973
Energy: 0.6372422754686394
Energy: 0.5653620842981404
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Energy: 0.6357975406131022
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Energy: 0.5774797358243478
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Energy: 0.6013473204881262
Energy: 0.6633799678494456
Energy: 0.6590725889994946
Energy: 0.6354920255846953
Energy: 0.6933907396130561
Energy: 0.9191565905593297
Energy: 0.643042252196943
Energy: 0.6570030788068265
Energy: 0.6374988024732164
Energy: 0.6932266321663076
Energy: 0.5968037171462091
Energy: 0.6383671545664108
Energy: 0.6468535108075505
Energy: 0.6350476205235066
Energy: 0.6347652750125687
Energy: 0.665038726816367
Energy: 0.6370775570433751
Energy: 0.6180124642651591
Energy: 0.6480691907329441
Energy: 0.6358898310595682
Energy: 0.6369043781253436
Energy: 0.631538919860737
Energy: 0.6375936186778822
Energy: 0.6454329248468688
Energy: 0.6383044761806922
Energy: 0.6370564393645829
Energy: 0.6280970421760164
Energy: 0.6283941203613064
Energy: 0.6299679758112359
Energy: 0.610539431401384
Energy: 0.6564591082019756
Energy: 0.5858643426339701
Energy: 0.6377961910439024
Energy: 0.6364952353909452
Energy: 0.6109654782929476
Energy: 0.6568432810752631
Energy: 0.6404707502430719
Energy: 0.6358712545083594
Energy: 0.6354871174495023
Energy: 0.6088879508521053
Energy: 0.6834103695482893
Energy: 0.6023103367987844
Energy: 0.6408400109842246
Energy: 0.6390881828019213
Energy: 0.5876737666563132
Energy: 0.6581498171319428
Energy: 0.6023821495060766
Energy: 0.6415436547847952
Energy: 0.6403375804732655
Energy: 0.5912579325658589
Energy: 0.681756329661244
Energy: 0.6273992222726149
Energy: 0.6753189074561331
Energy: 0.7275340079205933
Energy: 0.6979273103643842
Energy: 0.6030520439651712
Energy: 0.6233653422517518
Energy: 0.6740331355311486
Energy: 0.7261982754022831
Energy: 0.7049201512943699
Energy: 0.6363454124069453
Energy: 0.6089838150880035
Energy: 0.5995821553427747
Energy: 0.6145063344454385
Energy: 0.6301234865635765
Energy: 0.6208906416668891
Energy: 0.6037555050402534
Energy: 0.6026751484889699
Energy: 0.631840067650776
Energy: 0.641448358686458
Energy: 0.60984305521975
Energy: 0.5976704682808383
Energy: 0.5957468667479209
Energy: 0.5960854838660463
Energy: 0.6136469621907106
Energy: 0.6105890784086445
Energy: 0.6039520740343082
Energy: 0.5916716345064778
Energy: 0.5937575630385706
Energy: 0.6841947064554925

minimum gb energy = 0.5481719771598071 eV
minimum distance =  2.51525755338505 Angstroms
sigma value = 165


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

Energy: 0.7639198122878303
Energy: 0.6461533912753745
Energy: 0.5951876133694605
Energy: 0.6329235528642019
Energy: 0.6377950944448783
Energy: 0.7214176565042859
Energy: 0.6323035396853912
Energy: 0.5987764593447511
Energy: 0.646345159784463
Energy: 0.6396638677122123
Energy: 0.671967437791725
Energy: 0.5916513501691557
Energy: 0.6339342558022085
Energy: 0.6334384473109846
Energy: 0.6430488981081576
Energy: 0.597710494293226
Energy: 0.6044960418276986
Energy: 0.6430789531003724
Energy: 0.6552703399495741
Energy: 0.6754695477683451
Energy: 0.6193890607123509
Energy: 0.7327048907359573
Energy: 0.6650714692357291
Energy: 0.6337475221772888
Energy: 0.6395434697372007
Energy: 0.631526626206377
Energy: 0.6682078488805725
Energy: 0.6775985424061047
Energy: 0.657895547202903
Energy: 0.6618289708044316
Energy: 0.6406186893940756
Energy: 0.6343698656264871
Energy: 0.6399148340279669
Energy: 0.6235770613645119
Energy: 0.682638752730347
Energy: 0.645392178904391
Energy: 0.6446734555187187
Energy: 0.6062269887330984
Energy: 0.6239266881865828
Energy: 0.7483728015603276
Energy: 0.6608873522211023
Energy: 0.6262237324577683
Energy: 0.6186909050897985
Energy: 0.591511424057542
Energy: 0.6206753051494676
Energy: 0.6332917006156052
Energy: 0.6259577757363312
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Energy: 0.6148153705864879
Energy: 0.6197096421361068
Energy: 0.6573958631750998
Energy: 0.6259709599950959
Energy: 0.6392041612746819
Energy: 0.5863417065510795
Energy: 0.6404823894446176
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Energy: 0.5852791211970031
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Energy: 0.7325801248047489
Energy: 0.6467901564500517
Energy: 0.6874865228979893
Energy: 0.6096322255886407
Energy: 0.6220276288489563
Energy: 0.6386948523657907
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Energy: 0.6872279683063786
Energy: 0.6995780773671223
Energy: 0.5845806364237368
Energy: 0.6385697516429684
Energy: 0.5932080419279849
Energy: 0.6477579403801096
Energy: 0.6471099736465433
Energy: 0.6445727189426164
Energy: 0.5618866433499176
Energy: 0.6013998799228678
Energy: 0.646636864464372
Energy: 0.6476305100477979
Energy: 0.6369497143395657
Energy: 0.638455555409382
Energy: 0.6011592740673781
Energy: 0.6525266887616021
Energy: 0.6550359912908583
Energy: 0.6475948865760405
Energy: 0.6382054296682662
Energy: 0.5996191616908743
Energy: 0.6476406246898706
Energy: 0.6460483379889239
Energy: 0.6481131398449137
Energy: 0.6539545530996763
Energy: 0.6837505253661724
Energy: 0.6019165832351417
Energy: 0.6752867005094945
Energy: 0.7667122375834108
Energy: 0.6853372528324265
Energy: 0.6833702150751445
Energy: 0.6203381180716515
Energy: 0.6785239287347381
Energy: 0.7659498018200461
Energy: 0.6631431611570375
Energy: 0.6763218159680374
Energy: 0.6105082776007732
Energy: 0.6193561484726877
Energy: 0.6651636781636823
Energy: 0.6519390097637923
Energy: 0.6454595790195488
Energy: 0.6058060960770357
Energy: 0.6247082705002198
Energy: 0.6403018497566381
Energy: 0.6971829650835208
Energy: 0.6394533010343194
Energy: 0.6186015782791251
Energy: 0.5993287827108976
Energy: 0.589377839556933
Energy: 0.6139692895290761
Energy: 0.639014396989334
Energy: 0.6250263804441976
Energy: 0.5952558090022265
Energy: 0.6291342184106261
Energy: 0.617692830354067
Energy: 0.6463243382159536
Energy: 0.6670405408141896
Energy: 0.5859041405326633
Energy: 0.6277698543344652
Energy: 0.6270902266089711
Energy: 0.6262675260544244
Energy: 0.6293520928027722
Energy: 0.5841687962130442
Energy: 0.6297996127906201
Energy: 0.583338571600985
Energy: 0.6545841230298529
Energy: 0.6578620252637027
Energy: 0.6065789536721728
Energy: 0.624538200840535
Energy: 0.6624444406070739
Energy: 0.6423555815460212
Energy: 0.6472513496929545
Energy: 0.5978423116242362
Energy: 0.6401103048984236

minimum gb energy = 0.5618866433499176 eV
minimum distance =  2.56900595155708 Angstroms
sigma value = 41


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

Energy: 0.6746211745146438
Energy: 0.588188677716536
Energy: 0.6192118291783376
Energy: 0.5791230210051219
Energy: 0.5810648296799777
Energy: 0.5824410985116306
Energy: 0.5933153609020854
Energy: 0.6183118567496441
Energy: 0.5903640373031206
Energy: 0.6014843458903418
Energy: 0.6493214395741694
Energy: 0.5847632277440625
Energy: 0.5726621596819245
Energy: 0.5780167916232574
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Energy: 0.6550092826756873
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Energy: 0.5822269061347098
Energy: 0.5928963237575922
Energy: 0.5857691406899991
Energy: 0.5760430327760548
Energy: 0.6339198165207963
Energy: 0.6343866130228447
Energy: 0.5920458377377441
Energy: 0.5943812063371924
Energy: 0.5838955138477024
Energy: 0.6348609521684043
Energy: 0.6352632916232586
Energy: 0.5985207266945417
Energy: 0.6192354243433575
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Energy: 0.6117275711212601
Energy: 0.5821527264337258
Energy: 0.5859935394678562
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Energy: 0.5870233488796922
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Energy: 0.5665289492228428
Energy: 0.5702739746099702
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Energy: 0.5976188030532508
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Energy: 0.5870719675631945
Energy: 0.5975754156394146
Energy: 0.6106218311770409
Energy: 0.6020470803522718
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Energy: 0.5874969492258106
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Energy: 0.6356012530530205
Energy: 0.6212718148642907
Energy: 0.6244405476601587
Energy: 0.605804409592982
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Energy: 0.5872166962625847
Energy: 0.6253584679480747
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Energy: 0.5512312317106974
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Energy: 0.5634498807554515
Energy: 0.6432092335954211
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Energy: 0.6121329294925332
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Energy: 0.5811210447688748
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Energy: 0.5821684847942317
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Energy: 0.5835710967264963
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Energy: 0.5889201213142278
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Energy: 0.5778777500137207
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Energy: 0.6137699377783881
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Energy: 0.5866725918578795
Energy: 0.6349746900324292
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Energy: 0.6297547020312291
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Energy: 0.62414210099391
Energy: 0.6189063362792427
Energy: 0.5759980430653185
Energy: 0.587300778274674
Energy: 0.6174186165579502
Energy: 0.6235211604040457
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Energy: 0.6491622315773066
Energy: 0.5926310028728452
Energy: 0.591275124514334
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Energy: 0.598080856930206
Energy: 0.6522653359605852
Energy: 0.5992107083218324
Energy: 0.648904220791507
Energy: 0.5490282543267785
Energy: 0.5435323110279995
Energy: 0.5554096650342609
Energy: 0.6010844775488092
Energy: 0.6078971871814045
Energy: 0.5599374912361625
Energy: 0.5610650222220349
Energy: 0.5627151019846794
Energy: 0.6079015675992189
Energy: 0.6164378107426296
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Energy: 0.5626610873484925
Energy: 0.5895291828180552
Energy: 0.6090618997160782
Energy: 0.6097213042013433
Energy: 0.5713418493321774
Energy: 0.5645408285521436
Energy: 0.5912251314518878
Energy: 0.5519262169247692
Energy: 0.5977312198390098
Energy: 0.5954178613649644
Energy: 0.6010968496449753
Energy: 0.5413203937235422
Energy: 0.5844041019409444
Energy: 0.5814541210486656
Energy: 0.589769266907737
Energy: 0.5922168346062344
Energy: 0.5663104052601313
Energy: 0.6829131476217225
Energy: 0.5825366731520014
Energy: 0.6119725788885424
Energy: 0.5811449057510776
Energy: 0.590370477259912
Energy: 0.5836966351213926
Energy: 0.5725982841793442
Energy: 0.5982591938096592
Energy: 0.5758206278305229
Energy: 0.6052640126581379

minimum gb energy = 0.5413203937235422 eV
minimum distance =  2.57562285704006 Angstroms
sigma value = 185


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

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Energy: 0.4010026622339419
Energy: 0.5769136788312292
Energy: 0.5539978212305412
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Energy: 0.3409553031345291
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Energy: 0.39626295252740684
Energy: 0.383947605715516
Energy: 0.42754413142913833
Energy: 0.3372647223250135
Energy: 0.4274830424969105
Energy: 0.43602517652378175
Energy: 0.4853659874644996
Energy: 0.597881854271105
Energy: 0.42385412505816084
Energy: 0.40173069933697136
Energy: 0.41858961682919
Energy: 0.46496181498872646
Energy: 0.4533645241610664
Energy: 0.4197998452320126
Energy: 0.4466645529064457
Energy: 0.4248596152612959
Energy: 0.4365197853544682
Energy: 0.5088650181396338
Energy: 0.4226569931809142
Energy: 0.36576537170992424
Energy: 0.3396981493571083
Energy: 0.50287241614491
Energy: 0.6074295079740183
Energy: 0.4808290986481611
Energy: 0.47494424149334624
Energy: 0.4336647273316964
Energy: 0.5787964631633318
Energy: 0.33188804219153695
Energy: 0.45416169376940163
Energy: 0.4186750178101497
Energy: 0.39897032236589713
Energy: 0.4653614368411139
Energy: 0.45852732638766347
Energy: 0.46790983333392916

minimum gb energy = 0.32656322657729536 eV
minimum distance =  2.48776247085618 Angstroms
sigma value = 33


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

Energy: 0.6303991634294352
Energy: 0.5279039827974462
Energy: 0.5384478985136916
Energy: 0.5110555779648132
Energy: 0.5363255462276708
Energy: 0.5413056704376423
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Energy: 0.6002047987092465
Energy: 0.5766662592764045
Energy: 0.5523991111364702
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Energy: 0.5203173230839939
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Energy: 0.5304572712693959
Energy: 0.5576563611911521

minimum gb energy = 0.5024495605337893 eV
minimum distance =  2.51690128064228 Angstroms
sigma value = 219


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

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Energy: 0.649838525364987
Energy: 0.6247033532924089
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Energy: 0.6519778751475857
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Energy: 0.6521746736015676
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Energy: 0.6238068174381579
Energy: 0.667860671397274
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Energy: 0.652040714227548
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Energy: 0.6535510229522706
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Energy: 0.6715039888996802
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Energy: 0.7064481679382305
Energy: 0.639319752824696
Energy: 0.6032711241104097
Energy: 0.6020843346572666
Energy: 0.6468544666793024

minimum gb energy = 0.5866782342860101 eV
minimum distance =  2.57208674453972 Angstroms
sigma value = 15


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

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Energy: 0.7086428140054135
Energy: 0.6798142408947496
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Energy: 0.6810054798817595
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Energy: 0.6938897206326146
Energy: 0.6810017517942991
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Energy: 0.7064777377854158
Energy: 0.6532289438123882
Energy: 0.7354528505159511
Energy: 0.6401630289549834
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minimum gb energy = 0.6187486257751549 eV
minimum distance =  2.50249796237226 Angstroms
sigma value = 293


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

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Energy: 0.6735199084870694
Energy: 0.6865168153630291
Energy: 0.7047138873708502
Energy: 0.6190608430220329
Energy: 0.6189738796048616
Energy: 0.6187752299273909
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Energy: 0.6615759038198765
Energy: 0.6558462302015469
Energy: 0.6184789661691089
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Energy: 0.5954693063444972
Energy: 0.6804503257219947
Energy: 0.6189572835265662
Energy: 0.620166893007457
Energy: 0.6655166946695537
Energy: 0.5956700092264497
Energy: 0.6704511023885872
Energy: 0.6191557607496715
Energy: 0.6191227830923673
Energy: 0.6656303595261827
Energy: 0.655203421926912
Energy: 0.6392564825710457
Energy: 0.6197066212055651
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Energy: 0.6762168662611681
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Energy: 0.596900962857297
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Energy: 0.641002450384068
Energy: 0.6736239079520995
Energy: 0.6334348303201706
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Energy: 0.6196536450900896
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Energy: 0.637948855580115
Energy: 0.6193606256169426
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Energy: 0.6196416506344959
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Energy: 0.6373465816253221
Energy: 0.6646750417004379
Energy: 0.6709245499074191
Energy: 0.6202003023213059
Energy: 0.6556592297235881
Energy: 0.64289863326741
Energy: 0.6430763761239827
Energy: 0.6707729932160691
Energy: 0.6198453426059676
Energy: 0.6721621855366448
Energy: 0.6400057739879307
Energy: 0.6955197385275876
Energy: 0.6390143645450898
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Energy: 0.6212356945350569
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Energy: 0.6396186634771218
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Energy: 0.6383740710210005
Energy: 0.6460424966323931
Energy: 0.6348515199783981
Energy: 0.6400518095893216
Energy: 0.6988068027869792
Energy: 0.6815703745922298
Energy: 0.6467618065808408
Energy: 0.6330943163765773
Energy: 0.6388792462746969
Energy: 0.618187739229352
Energy: 0.6679836662267916
Energy: 0.6702001443731186
Energy: 0.6575272870987101
Energy: 0.6388820244023712
Energy: 0.6184456563281554
Energy: 0.668530861294796
Energy: 0.6364063527473797
Energy: 0.6566005536575231
Energy: 0.61927958481296
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Energy: 0.6660115428318929
Energy: 0.5950618145948309
Energy: 0.6185036161636316
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Energy: 0.6738624622856507
Energy: 0.6875825869861136
Energy: 0.5951066742446102
Energy: 0.6184483049858229
Energy: 0.6198982227708553
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Energy: 0.6384452944754848
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Energy: 0.665428752676357
Energy: 0.668930839194959
Energy: 0.6426822136787578
Energy: 0.6201242459800543
Energy: 0.6173504225379661
Energy: 0.6609013908768752
Energy: 0.6679677902525831
Energy: 0.6423154139132692
Energy: 0.6688919773795636
Energy: 0.6223706091707008
Energy: 0.6368372694884581
Energy: 0.6688128604280252
Energy: 0.5966602598349693
Energy: 0.6946115431360946
Energy: 0.6183889994797017
Energy: 0.6687011561652533
Energy: 0.6188206230630743
Energy: 0.5966298501700871
Energy: 0.6404008579225697
Energy: 0.6202924281545222
Energy: 0.6311327402861244
Energy: 0.6920301687249681
Energy: 0.5961355835186186
Energy: 0.6702472161970173
Energy: 0.6200723494100537
Energy: 0.6391005467476247
Energy: 0.6933493622616228
Energy: 0.5963003001461803
Energy: 0.6552944973257007
Energy: 0.619642888653745
Energy: 0.6398358383408671
Energy: 0.6934095734040101
Energy: 0.6397615350614771
Energy: 0.656533850713358
Energy: 0.6195142650809866
Energy: 0.6397344233678778
Energy: 0.6956536468670851
Energy: 0.6350360078125065
Energy: 0.6715943998223286
Energy: 0.6466208612780889
Energy: 0.6706235075951906
Energy: 0.6769618409190022
Energy: 0.6788359480808412
Energy: 0.672331247841491
Energy: 0.648103390455098
Energy: 0.6708412419750047
Energy: 0.6647941974785754
Energy: 0.6426436787745979
Energy: 0.6558716588250073
Energy: 0.636807537132793
Energy: 0.6557398459883363
Energy: 0.6328800896390624
Energy: 0.6379679896435827
Energy: 0.6355749922705534
Energy: 0.6388193962289765
Energy: 0.7032773904906248
Energy: 0.65724138902377
Energy: 0.6187639398050003
Energy: 0.6540242988342181
Energy: 0.6406171107326027
Energy: 0.6180254650323972
Energy: 0.6190052042632844
Energy: 0.6739128076178971
Energy: 0.6213676458159352
Energy: 0.6396958199610742
Energy: 0.6180795031892365
Energy: 0.6186337492261019
Energy: 0.6740860662544592
Energy: 0.5953959281388719
Energy: 0.6688302474522324
Energy: 0.6199856171688793
Energy: 0.6192162363443732
Energy: 0.638674908638317
Energy: 0.5951769308584988
Energy: 0.667809695751224
Energy: 0.6671764490123409
Energy: 0.6191273669803461
Energy: 0.5977801074271569

minimum gb energy = 0.5947350591554411 eV
minimum distance =  2.55830221077191 Angstroms
sigma value = 293


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

Energy: 0.5607073608471058
Energy: 0.5695090300119948
Energy: 0.6186327852223139
Energy: 0.6641923677767284
Energy: 0.5606961026915337
Energy: 0.5612661378434043
Energy: 0.5708660864288662
Energy: 0.6188709693122263
Energy: 0.6641569412809422
Energy: 0.5609797195689363
Energy: 0.5966416293884521
Energy: 0.5702409261771735
Energy: 0.5716864371553554
Energy: 0.5707578575693569
Energy: 0.5715669192678297
Energy: 0.5976941026186651
Energy: 0.5706030875371025
Energy: 0.5610323722153018
Energy: 0.6653042563692241
Energy: 0.5703818049526187
Energy: 0.5719611257794536
Energy: 0.6634515151743288
Energy: 0.5701560453266392
Energy: 0.6187933316446345
Energy: 0.5963643635772791
Energy: 0.5722635329950687
Energy: 0.6631169732683305
Energy: 0.5699231280118784
Energy: 0.6189196444596906
Energy: 0.5951996074623072
Energy: 0.6198509927884419
Energy: 0.5610008824506688
Energy: 0.5610487267288533
Energy: 0.5719570959009462
Energy: 0.5954421737291092
Energy: 0.6192313663799953
Energy: 0.5611001676056884
Energy: 0.5609955741752376
Energy: 0.5723357995579
Energy: 0.5658979078091202
Energy: 0.6639367022511751
Energy: 0.5608181114824604
Energy: 0.5607258076803212
Energy: 0.5961737800551018
Energy: 0.5701297418707332
Energy: 0.665422580996319
Energy: 0.5609657593513174
Energy: 0.560816411491266
Energy: 0.5974994044289477
Energy: 0.5710540217690696
Energy: 0.5705575579147689
Energy: 0.6190939263537933
Energy: 0.6642370694836442
Energy: 0.5703784730324292
Energy: 0.5611262032770516
Energy: 0.663813827579854
Energy: 0.6188437470207214
Energy: 0.664027241365145
Energy: 0.5704250851774506
Energy: 0.5842990511981995
Energy: 0.5698699793720811
Energy: 0.5667059021506728
Energy: 0.5716359073715304
Energy: 0.5700236379403525
Energy: 0.5971158797739887
Energy: 0.5698755643218077
Energy: 0.5656926551167556
Energy: 0.5722391598288061
Energy: 0.5698078243105337
Energy: 0.597648666196948
Energy: 0.6170575082159409
Energy: 0.5967820178073946
Energy: 0.5696715375737966
Energy: 0.5606773617585835
Energy: 0.5610612638679027
Energy: 0.5692589893013056
Energy: 0.6914716083216375
Energy: 0.5697420142260892
Energy: 0.5605726862652222
Energy: 0.5608249834812651
Energy: 0.5698859357887948
Energy: 0.5608562785790427
Energy: 0.5706815925392141
Energy: 0.5610086797202448
Energy: 0.5979906013077101
Energy: 0.570133821462925
Energy: 0.5712721343998645
Energy: 0.5713735341354038
Energy: 0.5609766815338542
Energy: 0.5953625859820308
Energy: 0.5705936533534848
Energy: 0.5700803322270954
Energy: 0.6913363405147225
Energy: 0.5698564023811572
Energy: 0.6635961016906088
Energy: 0.5703995211264811
Energy: 0.5702324759516999
Energy: 0.6907302576880482
Energy: 0.5701529307119123
Energy: 0.663750482990279
Energy: 0.5609796986107336
Energy: 0.5708671373498309
Energy: 0.5710336229978176
Energy: 0.5697974953705559
Energy: 0.5956275771415768
Energy: 0.5609193984826495
Energy: 0.5707297000873619
Energy: 0.5657293457510887
Energy: 0.5699270357269299
Energy: 0.59629222797348
Energy: 0.5608249313181121
Energy: 0.5706153795342168
Energy: 0.6185219363348378
Energy: 0.664103875190938
Energy: 0.560763479309791
Energy: 0.5613939030436614
Energy: 0.5695744332401921
Energy: 0.6187587457214603
Energy: 0.664191110303301
Energy: 0.560955355907777
Energy: 0.595749042985452
Energy: 0.5701863727657104
Energy: 0.5710017862877583
Energy: 0.5707081793064182
Energy: 0.5711966899513735
Energy: 0.596815826860701
Energy: 0.5705169793756762
Energy: 0.561017459598572
Energy: 0.665526550522012
Energy: 0.570867698352295
Energy: 0.5702782844127284
Energy: 0.6638322185142269
Energy: 0.5702151130544005
Energy: 0.6186142001773146
Energy: 0.5960537940522275
Energy: 0.572058358869715
Energy: 0.6635352824340917
Energy: 0.5700004423022831
Energy: 0.6191179732371904
Energy: 0.5953852679154464
Energy: 0.6197647061092044
Energy: 0.5609714637697811
Energy: 0.5610538422711513
Energy: 0.5718000028903216
Energy: 0.5954772617151697
Energy: 0.6193523639858635
Energy: 0.5611190550470325
Energy: 0.5611042790437749
Energy: 0.572139706740374
Energy: 0.5967810791031288
Energy: 0.66429684922627
Energy: 0.5608510514043914
Energy: 0.5607239966637587
Energy: 0.5980083453165512
Energy: 0.5702222261097993
Energy: 0.6646919640898272
Energy: 0.561026073189965
Energy: 0.5607908671012903
Energy: 0.5713763259087734
Energy: 0.5708756250242024
Energy: 0.5700395164550836
Energy: 0.6193334129527325
Energy: 0.6640588195435432
Energy: 0.5714031138389691
Energy: 0.5610376271191037
Energy: 0.6636447319769507
Energy: 0.6189944448799627
Energy: 0.6640501091538058
Energy: 0.5705360080834154
Energy: 0.5618665148931263
Energy: 0.5695458242287823
Energy: 0.5667164989690212
Energy: 0.5716155285562002
Energy: 0.5700354343010057
Energy: 0.5968878651894804
Energy: 0.5697381715558384
Energy: 0.56570338408399
Energy: 0.569734581274083
Energy: 0.5699763115554849
Energy: 0.5956760683065867
Energy: 0.6151438650953465
Energy: 0.5968465740208863
Energy: 0.569804072490006
Energy: 0.560644796748845
Energy: 0.5609609581694299
Energy: 0.5692152882092909
Energy: 0.5963613253794212
Energy: 0.5697683254836892
Energy: 0.560700752848622
Energy: 0.5608752383142874
Energy: 0.5698220018916414
Energy: 0.5608867987366412
Energy: 0.5708187984798077
Energy: 0.5610044367570381
Energy: 0.5979760948716263
Energy: 0.5702375656613402
Energy: 0.5710045250015391
Energy: 0.5714087682886053
Energy: 0.5610409591134028
Energy: 0.5699639388612516
Energy: 0.5707110100773197
Energy: 0.5701392996850778
Energy: 0.6918878752682831
Energy: 0.5700888364417898
Energy: 0.6640365804257273
Energy: 0.570373135733211
Energy: 0.5701746759287936
Energy: 0.6907046752706881
Energy: 0.5701452244377062
Energy: 0.6637253173547439
Energy: 0.560980229420371
Energy: 0.5704893960544631
Energy: 0.5708855056525344
Energy: 0.6189033273789701
Energy: 0.5955258474130267
Energy: 0.5609706256480983
Energy: 0.5705250892606424
Energy: 0.5656552754773608
Energy: 0.5699013508764701
Energy: 0.5960687570980445

minimum gb energy = 0.5605726862652222 eV
minimum distance =  2.58165692652843 Angstroms
sigma value = 15


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

Energy: 1.0890398875417697
Energy: 0.6192554525575551
Energy: 0.6326020135389139
Energy: 0.6643694982727214
Energy: 0.6170444815125374
Energy: 0.653630891281543
Energy: 0.5995909034362139
Energy: 0.6712652738188621
Energy: 0.6666874875456175
Energy: 0.5980375870664899
Energy: 0.6042807879554293
Energy: 0.6336040986627067
Energy: 0.6437495215749139
Energy: 0.6389496870245394
Energy: 0.6518838186353961
Energy: 0.5986428700755827
Energy: 0.6593686413164713
Energy: 0.6439476798466458
Energy: 0.65067048950546
Energy: 0.6244602245212736
Energy: 0.6638063657253739
Energy: 0.6829589314677922
Energy: 0.6017536377683897
Energy: 0.6337389546609054
Energy: 0.6751923709015105
Energy: 0.6665146556349075
Energy: 0.6777253889439229
Energy: 0.6024666710394434
Energy: 0.6303981694382149
Energy: 0.6770690127829789
Energy: 0.672362801737961
Energy: 0.640258266799217
Energy: 0.6193783984025542
Energy: 0.6723686232507453
Energy: 0.6816345971879986
Energy: 0.6085633808544156
Energy: 0.6404204054791256
Energy: 0.7131811154289032
Energy: 0.6644232661945765
Energy: 0.6720900393154594
Energy: 0.6062511478374479
Energy: 0.6016142043134949
Energy: 0.6339095847259982
Energy: 0.6065550411618337
Energy: 0.5971436707143795
Energy: 0.606438390450499
Energy: 0.6735519275279186
Energy: 0.6471742910541319
Energy: 0.6026260902167627
Energy: 0.5968457001483269
Energy: 0.6842128000247875
Energy: 0.6021860821609581
Energy: 0.6039414918870813
Energy: 0.6623669003989149
Energy: 0.7166305495794812
Energy: 0.6721359296753929
Energy: 0.6024528462491053
Energy: 0.6059255228761179
Energy: 0.6745499184552401
Energy: 0.7161957527784875
Energy: 0.6044210815872777
Energy: 0.602566316432628
Energy: 0.6365192293159156
Energy: 0.6257052453646391
Energy: 0.648271267135836
Energy: 0.6055967950111866
Energy: 0.6026542868997741
Energy: 0.631275655509154
Energy: 0.6378589272661163
Energy: 0.6345454432969493
Energy: 0.605853926111241
Energy: 0.6039413574174752
Energy: 0.6260576881440533
Energy: 0.6319432284980219
Energy: 0.6373781603929124
Energy: 0.6108315162913422
Energy: 0.6022596335076821
Energy: 0.6261022348418466
Energy: 0.631350097546845
Energy: 0.6258566005987536
Energy: 0.5986731306301986
Energy: 0.7199097774635295
Energy: 0.694847310316894
Energy: 0.5986123010985862
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Energy: 0.6065668722132379
Energy: 0.6967653663967154
Energy: 0.6219879759933743
Energy: 0.598522510024494
Energy: 0.6025319434306026
Energy: 0.6642483141773782
Energy: 0.6575743716428464
Energy: 0.6007696089766397
Energy: 0.6157452517283957
Energy: 0.6028924698583001
Energy: 0.6208755222081096
Energy: 0.6525907140132692
Energy: 0.6006722228550343
Energy: 0.616009793782849
Energy: 0.6059768450789315
Energy: 0.6328753798544929
Energy: 0.6748646379231479
Energy: 0.6066453493901274
Energy: 0.6186164713780745
Energy: 0.6019774389271106
Energy: 0.6338684999968393
Energy: 0.6418664831751922
Energy: 0.6216866689428575
Energy: 0.6185072688887882
Energy: 0.6010551810600906
Energy: 0.7061682883518808
Energy: 0.6250312193992071
Energy: 0.6061631134916563
Energy: 0.5992485502360677
Energy: 0.6253797716264061
Energy: 0.706608433996028
Energy: 0.6343733180073255
Energy: 0.6004192411986702
Energy: 0.5987726959752739
Energy: 0.6256687550638276
Energy: 0.671545952386246
Energy: 0.6006020534237194
Energy: 0.602985578568679
Energy: 0.610372533153651
Energy: 0.6521983090491514
Energy: 0.6718639828857758
Energy: 0.6037043637758851
Energy: 0.6011947416367862
Energy: 0.620897401606841
Energy: 0.6833181239304171
Energy: 0.6411068104471022
Energy: 0.6338155508746368
Energy: 0.5990010860645798
Energy: 0.6854585803786795
Energy: 0.6331166595734359
Energy: 0.6415727143814162
Energy: 0.644079737050228
Energy: 0.5962691369741213
Energy: 0.6871033728958796
Energy: 0.6333640148555533
Energy: 0.6005499271744961
Energy: 0.642417705835803
Energy: 0.5984796022049325
Energy: 0.6085072268070579
Energy: 0.6172337352103172
Energy: 0.6246160945593671
Energy: 0.6838226667426703
Energy: 0.6068907851376827
Energy: 0.6083980652220056
Energy: 0.6245855165257291
Energy: 0.6900107588204965
Energy: 0.7085385999804898
Energy: 0.6850640046604853
Energy: 0.7145678289689185
Energy: 0.5988912355698325
Energy: 0.6837381848583145
Energy: 0.6858187698274355
Energy: 0.685390350863726
Energy: 0.666727724941796
Energy: 0.59594651138752
Energy: 0.5954458590696089
Energy: 0.6194431323494688
Energy: 0.6607325531539981
Energy: 0.632315252725835
Energy: 0.6494418716786922
Energy: 0.5955262477054323
Energy: 0.6078910189254855
Energy: 0.6701613278034558
Energy: 0.6328715685131683
Energy: 0.6492663896832723
Energy: 0.7093735059554489
Energy: 0.706408163892094
Energy: 0.6872821168272534
Energy: 0.6294862174716034
Energy: 0.6058484791726644
Energy: 0.6450869564068562
Energy: 0.6840102092969711
Energy: 0.6886585678643917
Energy: 0.6038165321909417
Energy: 0.6055244896332216
Energy: 0.6448118346253502
Energy: 0.6584249001167887
Energy: 0.6251725301326435
Energy: 0.6072570158981057
Energy: 0.6037903371487826
Energy: 0.6483140212771032
Energy: 0.661018940915025
Energy: 0.621760507989244
Energy: 0.6090289099166997
Energy: 0.6038697959447681
Energy: 0.6375379725525048
Energy: 0.6180544610757654
Energy: 0.7070979861105953
Energy: 0.6043429446851163
Energy: 0.6038083117302604
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Energy: 0.6292324243615561
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Energy: 0.7151509723971111
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Energy: 0.6437250308431166
Energy: 0.6942151966226611
Energy: 0.6208411744587631
Energy: 0.5995154418101979
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Energy: 0.6379832362534028
Energy: 0.7005319975435844
Energy: 0.6281431589688972
Energy: 0.6006270731840536
Energy: 0.6034110616210513
Energy: 0.6326144872268539
Energy: 0.6742074267898375
Energy: 0.6233507717769287
Energy: 0.6164878151644451
Energy: 0.6164412965274233
Energy: 0.652927285494713
Energy: 0.6853336637938963
Energy: 0.6237423415172343
Energy: 0.6168206767155768
Energy: 0.6164695303688684
Energy: 0.7062890046948193
Energy: 0.6442546567599791
Energy: 0.6046807824559051
Energy: 0.5984762891084779
Energy: 0.6330966965325365
Energy: 0.7067415762068836
Energy: 0.6626437032086175
Energy: 0.6007240173783442
Energy: 0.5985382942527518
Energy: 0.6332871070992
Energy: 0.6328461269012504
Energy: 0.603301601393508
Energy: 0.5980341284599419
Energy: 0.6005210896466373
Energy: 0.6009755210800121
Energy: 0.6719254723318241
Energy: 0.6062539152759567
Energy: 0.602168680182509
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Energy: 0.6009893759971889
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Energy: 0.6462725259135268
Energy: 0.5961711077494142
Energy: 0.6772001202017255
Energy: 0.6252876276044921
Energy: 0.6428823664469075
Energy: 0.6439904109291145
Energy: 0.6504162520359535
Energy: 0.6603722189280872
Energy: 0.625513215724227
Energy: 0.6333944541443499
Energy: 0.62663854013882
Energy: 0.5984904834483277
Energy: 0.6095009876320086
Energy: 0.6290285908350598
Energy: 0.6342076492761675
Energy: 0.6283380888679055
Energy: 0.5984181022775956
Energy: 0.61026835092529
Energy: 0.6376973801300773
Energy: 0.6632570923141604
Energy: 0.6855155276238764
Energy: 0.6890607529762744
Energy: 0.6700446183572886
Energy: 0.5968405537267215
Energy: 0.681305599281949
Energy: 0.693144549298476
Energy: 0.6854225220186295
Energy: 0.664789022783076
Energy: 0.5957960958457829
Energy: 0.5955325651170149
Energy: 0.6038903742848893
Energy: 0.6306382659717895
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Energy: 0.6478745004817787
Energy: 0.5954264364848787
Energy: 0.6599582763686223
Energy: 0.6502338031710053
Energy: 0.6048734975794917
Energy: 0.6474184792726723
Energy: 0.6768309094672095
Energy: 0.68451632191525
Energy: 0.6868617739210032
Energy: 0.6418179579238742
Energy: 0.6056740111418584
Energy: 0.6845779977574484
Energy: 0.6850942095378215
Energy: 0.6876869931729345
Energy: 0.6454953815658321
Energy: 0.6027306633311753
Energy: 0.6843786182401717
Energy: 0.6219733559701288
Energy: 0.6108167075755015
Energy: 0.6018924992057584
Energy: 0.6025260775291911
Energy: 0.6435837612356557
Energy: 0.6217348461184683
Energy: 0.6043902146495369
Energy: 0.6018460811309737
Energy: 0.6092011434471425
Energy: 0.6020682204768373
Energy: 0.6169504202326135
Energy: 0.6647275009584352
Energy: 0.6035697290027809
Energy: 0.6027373997403226
Energy: 0.6018054938623136
Energy: 0.6094336264656101
Energy: 0.6270093676721576
Energy: 0.6036088380519973
Energy: 0.6028838755265858
Energy: 0.6899282607795291
Energy: 0.6240714085945933
Energy: 0.6081416559016029
Energy: 0.6422240162306204
Energy: 0.63305034366167
Energy: 0.6464612069221153
Energy: 0.6242425891340388
Energy: 0.6045536728937502
Energy: 0.6742199756136562
Energy: 0.6410595494831656
Energy: 0.603886091447015
Energy: 0.6036777061400614
Energy: 0.6067869259837352
Energy: 0.6853155190087546
Energy: 0.5982336523011398
Energy: 0.5981336490227147
Energy: 0.5979608949000539
Energy: 0.6600414902776996
Energy: 0.7175153977969212
Energy: 0.5981600228404055
Energy: 0.6038927055438467
Energy: 0.6078714664938336
Energy: 0.6052901553514739
Energy: 0.6036445532154955
Energy: 0.6391423543892869
Energy: 0.6122792889298844
Energy: 0.615599647303579
Energy: 0.6804808736770022
Energy: 0.6041582477312765
Energy: 0.628572840439736
Energy: 0.6187713016380209
Energy: 0.5978125366582412
Energy: 0.7114970765570393
Energy: 0.7061201608807945
Energy: 0.6531017540946495
Energy: 0.6107224359257646
Energy: 0.5979354544231165
Energy: 0.7098136574912447
Energy: 0.6503869777811115
Energy: 0.6440030910955569
Energy: 0.672333727406253
Energy: 0.6898015315343495
Energy: 0.602449920921531
Energy: 0.6564978236080781
Energy: 0.5954637537486684
Energy: 0.6585180261316115
Energy: 0.6637968696786971
Energy: 0.6137608805241893
Energy: 0.6128881644309834
Energy: 0.6074026249952335

minimum gb energy = 0.5954264364848787 eV
minimum distance =  2.52291588248113 Angstroms
sigma value = 437


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

Energy: 0.8075814747916215
Energy: 0.5751661018196853
Energy: 0.6478163339098459
Energy: 0.6415804356342033
Energy: 0.5825945190159583
Energy: 0.8082695469992577
Energy: 0.6358586671520686
Energy: 0.6377798012607362
Energy: 0.5711924550300014
Energy: 0.6884872751395725
Energy: 0.5696968933603083
Energy: 0.6784723129088124
Energy: 0.6755552929142392
Energy: 0.6760989211344366
Energy: 0.7342543096388952
Energy: 0.5680855031361368
Energy: 0.6877120530615626
Energy: 0.675537151282052
Energy: 0.6393896776348118
Energy: 0.6296946302195603
Energy: 0.6301500338821047
Energy: 0.6257022540015678
Energy: 0.7504942799288583
Energy: 0.6142778364484484
Energy: 0.6205034495511096
Energy: 0.6308329710778764
Energy: 0.6257988687351596
Energy: 0.7506681429945145
Energy: 0.6135947743593866
Energy: 0.6231492296688924
Energy: 0.6124898126155641
Energy: 0.5799000549232741
Energy: 0.7359145370918662
Energy: 0.5694741263596932
Energy: 0.6179468699297367
Energy: 0.613857720314978
Energy: 0.5699204772283903
Energy: 0.673136825001375
Energy: 0.5681356414660002
Energy: 0.6177741494556062
Energy: 0.6332495428484035
Energy: 0.7074981320243411
Energy: 0.6102054679721121
Energy: 0.610575869926939
Energy: 0.5647347853955742
Energy: 0.5678272133151321
Energy: 0.7443346743372788
Energy: 0.6101926735873674
Energy: 0.6077814573783351
Energy: 0.6319370586300941
Energy: 0.643965980062377
Energy: 0.63460239711769
Energy: 0.6236574120127204
Energy: 0.6312415041772261
Energy: 0.8090877070314104
Energy: 0.64390542014502
Energy: 0.6333667788500921
Energy: 0.6236674009935304
Energy: 0.6345356083400492
Energy: 0.8090310011663041
Energy: 0.6207477990065318
Energy: 0.6334410591308441
Energy: 0.6191750770927106
Energy: 0.6290819099243941
Energy: 0.6236961201037007
Energy: 0.6209409328808028
Energy: 0.632160073779017
Energy: 0.6222025133729486
Energy: 0.6091411202209899
Energy: 0.6234861705073318
Energy: 0.6269454651963413
Energy: 0.5681729842369065
Energy: 0.6082686745904855
Energy: 0.7433297999178162
Energy: 0.7440203981048682
Energy: 0.6272400319008776
Energy: 0.633310675818278
Energy: 0.6087211763441794
Energy: 0.7435309845835999
Energy: 0.6891917957691733
Energy: 0.5789643885962116
Energy: 0.7437165985583811
Energy: 0.5760568067720423
Energy: 0.7481866076958121
Energy: 0.6139489810140056
Energy: 0.5776766741087093
Energy: 0.7739291628639271
Energy: 0.5754408395543812
Energy: 0.7550301781522261
Energy: 0.6118104459933423
Energy: 0.6177714436246751
Energy: 0.6377054970826606
Energy: 0.5704271841682707
Energy: 0.5646133243771522
Energy: 0.7544015058559627
Energy: 0.566886394552701
Energy: 0.6084115867495897
Energy: 0.57223993740885
Energy: 0.5645039153437883
Energy: 0.6803292675954032
Energy: 0.569206099132859
Energy: 0.5679312765030474
Energy: 0.5672349988443063
Energy: 0.812909967270812
Energy: 0.5718742552055477
Energy: 0.5685686329860086
Energy: 0.5677998481665227
Energy: 0.5682298510309691
Energy: 0.8132756396183015
Energy: 0.6131835703399807
Energy: 0.5732981034606315
Energy: 0.5751941199268144
Energy: 0.5721560170982085
Energy: 0.655340034556006
Energy: 0.5710672571577151
Energy: 0.5727143012027973
Energy: 0.5741133392978561
Energy: 0.5735045121767585
Energy: 0.6873448790500414
Energy: 0.5714223332203898
Energy: 0.5694061841437958
Energy: 0.5703066174333725
Energy: 0.6383668874862612
Energy: 0.7569753600973667
Energy: 0.6267443690072575
Energy: 0.5699361490148598
Energy: 0.5706634018864414
Energy: 0.743823128742936
Energy: 0.6392961948566278
Energy: 0.6273403505436707
Energy: 0.6718858444521435
Energy: 0.5713167320157465
Energy: 0.7394891116261296
Energy: 0.5725273405006426
Energy: 0.5812700576258533
Energy: 0.6726282495896776
Energy: 0.5761395465562165
Energy: 0.7395286440806172
Energy: 0.5720917306788484
Energy: 0.642029373628441

minimum gb energy = 0.5645039153437883 eV
minimum distance =  2.60883825563899 Angstroms
sigma value = 33