Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614939033985138
cohesive_energy=3.540272685207228
mass=63.546
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=[1.450365591398598e-19, 2.16695991925134e-19, 2.71525680693882e-19, 3.14808482461392e-19, 3.51467886023946e-19, 3.83899145449374e-19, 4.1237783511872395e-19, 4.37003289983304e-19, 4.581792585548819e-19, 4.76387996000292e-19, 4.92047670421008e-19, 5.055043519699739e-19, 5.170448302646759e-19, 5.269174426833839e-19, 5.35341687424956e-19, 5.42508223508838e-19, 5.48578870775064e-19, 5.536802011777199e-19, 5.57905140961578e-19, 5.61303357602292e-19, 5.63905292455908e-19, 5.65734978171936e-19, 5.66816447399886e-19, 5.671689262593659e-19, 5.667892103971079e-19, 5.6557636268517e-19, 5.63432650348878e-19, 5.602635449668259e-19, 5.55702148089828e-19, 5.49405593918208e-19, 5.410502427718979e-19, 5.30278809261516e-19, 5.16690749228562e-19, 4.99821431449176e-19, 4.791277180444319e-19, 4.5393669482804995e-19, 4.233751755345e-19, 3.86233516805112e-19, 3.4081661576111397e-19, 2.84809327166376e-19, 2.1518193500600397e-19, 1.280743151157018e-19, 1.84251915086634e-20, -1.210646321242884e-19, -3.0212084569674597e-19, -5.43475938195774e-19, -8.7161613242868e-19, -1.3222699673336639e-18, -1.94970476768094e-18, -2.84645905149708e-18]
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: 0.015447471752720359
Energy: 0.019650284979563195
Energy: 0.10340563927890019
Energy: 0.10309748253621195
Energy: 0.01926780258631639
Energy: 0.01689486739833226
Energy: 0.10166475768011114
Energy: 0.10351246159317468
Energy: 0.10266766166632053
Energy: 0.018613869576888223
Energy: 0.016052898518937788
Energy: 0.10108834667705228
Energy: 0.10234894866574076
Energy: 0.10319502177891768
Energy: 0.10314808385369247
Energy: 0.10190762236005647
Energy: 0.10140509776698614
Energy: 0.10198540862307383
Energy: 0.1031489888316419
Energy: 0.10264130663526531
Energy: 0.10336327161385013
Energy: 0.01927080479435756
Energy: 0.015782935066902114
Energy: 0.10148028006728727
Energy: 0.1036012869376473
Energy: 0.10348385548441913
Energy: 0.01861728503716566
Energy: 0.015858665268441416
Energy: 0.10138258290949716
Energy: 0.10315314714574232
Energy: 0.10261762969988095
Energy: 0.01702930524651458
Energy: 0.016790192877618425
Energy: 0.10106128566501212
Energy: 0.10202349795191502
Energy: 0.10299549862991107
Energy: 0.01762306982641717
Energy: 0.016122569601237768
Energy: 0.10099482445719789
Energy: 0.10196358203334115
Energy: 0.10223872407610389
Energy: 0.10265335108033155
Energy: 0.10372269072530721
Energy: 0.01724048467787549
Energy: 0.016112910985475622
Energy: 0.10198394595169925
Energy: 0.10319693989558394
Energy: 0.10319948339715128
Energy: 0.018293719101429594
Energy: 0.10119947969078667
Energy: 0.10389896044573459
Energy: 0.10247998080249868
Energy: 0.10200533921060465
Energy: 0.01652286736121332
Energy: 0.016045081976679004
Energy: 0.10117711869684028
Energy: 0.10164133542014096
Energy: 0.1025776216243724
Energy: 0.017195428213180982
Energy: 0.016116240265078755
Energy: 0.016080279979052144
Energy: 0.10406643407233347
Energy: 0.1025392780376866
Energy: 0.10328504268149423
Energy: 0.10381432339455735
Energy: 0.020710826247744854
Energy: 0.10424831029294154
Energy: 0.10233307041775457
Energy: 0.10385898311086943
Energy: 0.103430245107077

minimum gb energy = 0.015447471752720359 eV
minimum distance =  2.52313032762731 Angstroms
sigma value = 3


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

Energy: 1.183597798430535
Energy: 0.7225111605625684
Energy: 0.726554364004115
Energy: 0.6907053667959501
Energy: 0.6980400535316565
Energy: 0.6985132295173877
Energy: 0.6888536705069545
Energy: 0.728027255010757
Energy: 0.726868487462643
Energy: 0.7229045551177827
Energy: 0.6281941725727546
Energy: 0.7973092819854345
Energy: 0.7320647877488391
Energy: 0.7994140010978958
Energy: 0.593990266088074
Energy: 0.7136210266059025
Energy: 0.8244127984852767
Energy: 0.7270865785870735
Energy: 0.6522715487268785
Energy: 0.5940399258764929
Energy: 0.7222410731653752
Energy: 0.7628796851001778
Energy: 0.6359073120795511
Energy: 0.5901399448940039
Energy: 0.5934524003728842
Energy: 0.5902066737721924
Energy: 0.7622341065685463
Energy: 0.6456575951802171
Energy: 0.59030120307726
Energy: 0.5943366866391532
Energy: 0.5922219910862845
Energy: 0.809983283238005
Energy: 0.6359508582481875
Energy: 0.5904628044080752
Energy: 0.5429834128575735
Energy: 0.5908814650616223
Energy: 0.7303584067273965
Energy: 0.6379097869317585
Energy: 0.6637407031593622
Energy: 0.6111549134341651
Energy: 0.7805787079480253
Energy: 0.7288768182384326
Energy: 0.8147855354284533
Energy: 0.6174420744527584
Energy: 0.5520730951618809
Energy: 0.7737011797848065
Energy: 0.7311778907664241
Energy: 0.7682775768090051
Energy: 0.6137351061917552
Energy: 0.623725909093484
Energy: 0.7265438896595356
Energy: 0.7233442210015026
Energy: 0.7442165386847229
Energy: 0.6804978557548366
Energy: 0.8177696577684614
Energy: 0.7259809093302705
Energy: 0.7256045184643932
Energy: 0.7426978152966919
Energy: 0.6132219426525705
Energy: 0.7372021067476443
Energy: 0.7697676355963307
Energy: 0.7396048074132845
Energy: 0.7744254015546161
Energy: 0.6155002123117101
Energy: 0.768099297688706
Energy: 0.7779940820699659
Energy: 0.8540031167154764
Energy: 0.6186708956565138
Energy: 0.6152735004350574
Energy: 0.7683757889601729
Energy: 0.7770639547899568
Energy: 0.769150912191117
Energy: 0.7257951591251887
Energy: 0.6741519188547076
Energy: 0.7695245886210434
Energy: 0.7759891326577737
Energy: 0.7597869314096208
Energy: 0.7410737124240181
Energy: 0.8185561546706684
Energy: 0.7556787423081528
Energy: 0.855965227358908
Energy: 0.696357327532817
Energy: 0.548973096643369
Energy: 0.8200939748875722
Energy: 0.7519470690983754
Energy: 0.8560323140766166
Energy: 0.700207505325307
Energy: 0.5791949869594418
Energy: 0.6361932253026542
Energy: 0.758986212571172
Energy: 0.8384047457617319
Energy: 0.6140060829331098
Energy: 0.6832871751322287
Energy: 0.70505180819564
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Energy: 0.7006213833893195
Energy: 0.6367526622082837
Energy: 0.6927105145939071
Energy: 0.6169625706551065
Energy: 0.6175273568452385
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Energy: 0.8703182375174404
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Energy: 0.8568202181858273
Energy: 0.7242054707696517
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Energy: 0.6857656843183578
Energy: 0.7798146571939403
Energy: 0.7302355548637832
Energy: 0.7793149165349766
Energy: 0.5433469161676473
Energy: 0.684747441270625
Energy: 0.7803763990683158
Energy: 0.6707667482781215
Energy: 0.8392956239897351
Energy: 1.1003223730845044
Energy: 0.7196204768956581
Energy: 0.7766115596460623
Energy: 0.7759589452171837
Energy: 0.7521553156962596
Energy: 0.7539776736481714
Energy: 0.721537601383692
Energy: 0.7779457594307629
Energy: 0.7794957276161301
Energy: 0.7521678797676715
Energy: 0.6119240955410555
Energy: 0.866209983069297
Energy: 0.781216109518415
Energy: 0.8635124700634819
Energy: 0.6854523414715193
Energy: 0.6254838295557651
Energy: 0.8177677583186426
Energy: 0.7814019039728183
Energy: 0.865794632982802
Energy: 0.683368253438665
Energy: 0.7000081114016928
Energy: 0.8510577521211904
Energy: 0.6376672866409431
Energy: 0.6206700603462308
Energy: 0.6816177456702665
Energy: 0.683360701229225
Energy: 0.6379121071957673
Energy: 0.6396020589983623
Energy: 0.6177909992497493
Energy: 0.6793956354702224
Energy: 0.6552852500768924
Energy: 0.5897678192388254
Energy: 0.6360955917479417
Energy: 0.6157248697432757
Energy: 0.6384061418404214
Energy: 0.6949038080404051
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Energy: 0.6376520093705719
Energy: 0.6900742703453132
Energy: 0.6734396604157512
Energy: 0.8662833140773484
Energy: 0.7800099750207857
Energy: 0.7479364010762413
Energy: 0.6145551659676208
Energy: 0.5507403817685019
Energy: 0.9152954046967735
Energy: 0.7758073844020812
Energy: 0.7468217971685743
Energy: 0.6119445394698625
Energy: 0.5444779579180148
Energy: 0.7710914700384173
Energy: 0.7584990161730875
Energy: 0.7570021164401382
Energy: 0.6154110984501633
Energy: 0.7445982362290084
Energy: 0.7262256905513559
Energy: 0.7580434976713978
Energy: 0.7470700005890385
Energy: 0.7293399340655633
Energy: 0.7443880060622843
Energy: 0.7684466136380199
Energy: 0.7763108635828962
Energy: 0.6360395548758921
Energy: 0.6166582352440438
Energy: 0.7375968508952527
Energy: 0.7664772611653752
Energy: 0.7720155310609811
Energy: 0.6156590629292618
Energy: 0.6152628703986215
Energy: 0.7791974905646739
Energy: 0.9448168528069959
Energy: 0.7535755372286915
Energy: 0.8380224604118623
Energy: 0.6320411900489992
Energy: 0.7584382264368306
Energy: 0.7727530848785406
Energy: 0.753467889330607
Energy: 0.6800031410717403
Energy: 0.8466509588497655
Energy: 0.7686053677480947
Energy: 0.8531076306600899
Energy: 0.6794186198639904
Energy: 0.5788327377221916
Energy: 0.61708960150222
Energy: 0.7575897358614218
Energy: 0.8549459231740535
Energy: 0.6776108848418702
Energy: 0.614774416374791
Energy: 0.697747367909147
Energy: 0.7695644291639844
Energy: 0.6447200542571758
Energy: 0.6166806826910262
Energy: 0.6170853290119163
Energy: 0.6858389280013437
Energy: 0.6348524257105882
Energy: 0.6331549282209885
Energy: 0.618413139383245
Energy: 0.6770160113580733
Energy: 0.5761521605340023
Energy: 0.6363549211083505
Energy: 0.6797780162452816
Energy: 0.6224952819077636
Energy: 0.6165705331633563
Energy: 0.6709053362925917
Energy: 0.6458404155045746
Energy: 0.690340063281538
Energy: 0.6153667585102421
Energy: 0.6426508973076397
Energy: 0.6710792440177396
Energy: 0.6361313209132055
Energy: 0.7704183628245281
Energy: 0.616018528601772
Energy: 0.619477510616259
Energy: 0.7668852507572999
Energy: 0.7225252952045824
Energy: 0.5948551588298551
Energy: 0.5504150735350377
Energy: 0.6860181840185811
Energy: 0.8771665244642042
Energy: 0.7275440124877497
Energy: 0.7690325920454074
Energy: 0.7298768605828247
Energy: 0.6883325890678993
Energy: 0.7262581380285594
Energy: 0.7551554216556451
Energy: 0.7697333031471424
Energy: 0.592762610285318
Energy: 0.6883136131130577
Energy: 0.7594055918868566
Energy: 0.7665457726982553
Energy: 0.5929898563622545
Energy: 0.5936323515568898
Energy: 0.7279096191267975
Energy: 0.7294466143519996
Energy: 0.6837536448981734
Energy: 0.592910368014429
Energy: 0.5933391844389182
Energy: 0.7299029518360619
Energy: 0.7125333769183084
Energy: 0.7438166489554313
Energy: 0.7318170885599763
Energy: 0.7153034030497939
Energy: 0.7279643409290976
Energy: 0.6917011246647929
Energy: 0.6979477027223947
Energy: 0.6955003298616743
Energy: 0.689044152058619
Energy: 0.7267383668147478
Energy: 0.727050864317275
Energy: 0.6754735203491598

minimum gb energy = 0.5429834128575735 eV
minimum distance =  2.3909958965198 Angstroms
sigma value = 75


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

Energy: 1.7321503392232225
Energy: 0.7828362380943972
Energy: 0.7143441657250056
Energy: 0.7234395391767345
Energy: 0.8009618634197664
Energy: 0.8121421041944026
Energy: 0.8013198561152919
Energy: 0.7160970470891865
Energy: 0.7256845076126492
Energy: 0.7830488174703114
Energy: 0.6990820724732283
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Energy: 0.7126461625900387
Energy: 0.7250319429714867
Energy: 0.7201250541953396
Energy: 0.7013276152018482
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Energy: 0.7148982550366726
Energy: 0.7242579228281332
Energy: 0.7352021959555991
Energy: 0.7540046107254669
Energy: 0.8881415065390008
Energy: 0.8635522190142186
Energy: 0.7897002566490151
Energy: 0.6732182582860494
Energy: 0.7003898927837104
Energy: 0.8880584367555742
Energy: 0.8634362909358976
Energy: 0.7689272838625275
Energy: 0.6733587133670077
Energy: 0.7349550519760594
Energy: 0.7368257866012353
Energy: 0.7551352045794727
Energy: 0.7010946553203173
Energy: 0.6740206861306599
Energy: 0.7284532632549924
Energy: 0.7337801450012081
Energy: 0.7150276638202997
Energy: 0.8024982329717851
Energy: 0.682420661799667
Energy: 0.7616672132227302
Energy: 0.7308928431933207
Energy: 0.8125817470252992
Energy: 0.7640402293311062
Energy: 0.7209018710830916
Energy: 0.751251737364331
Energy: 0.7283982989133951
Energy: 0.8169636317563134
Energy: 0.7466720387436762
Energy: 0.7203710042759565
Energy: 0.715347652291169
Energy: 0.7215514797463791
Energy: 0.8117983197922566
Energy: 0.7439907568474726
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Energy: 0.7173577930081074
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Energy: 0.7672314603156618
Energy: 0.7202520791256602
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Energy: 0.8096512269930636
Energy: 0.8440914774585777
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Energy: 0.8198880314193028
Energy: 0.76693521915833
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Energy: 0.800411892924672
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Energy: 0.7458780920557408
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Energy: 0.7499299518736996
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Energy: 0.7348880252754127
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Energy: 0.8633907777113157
Energy: 0.8215761513425822
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Energy: 0.7175899316407249
Energy: 0.8261597628359623
Energy: 0.8401156104897968
Energy: 0.8127957856944579
Energy: 0.7143840115381674
Energy: 0.7239799604251335
Energy: 0.8233555157744642
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Energy: 0.7309195224748
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Energy: 0.9315865129688999
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Energy: 0.7315535789000454
Energy: 0.7074082038594786
Energy: 0.7092251215462617
Energy: 0.7657188014463918
Energy: 0.734500915538175
Energy: 0.7408062065941089
Energy: 0.7792738079325395
Energy: 0.6673325641288783
Energy: 0.7379977255920355
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Energy: 0.7277176309183081
Energy: 0.7607860582917954
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Energy: 0.8093856195719595
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Energy: 0.7644262402715382
Energy: 0.81080774375488
Energy: 0.709040937105302
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Energy: 0.7643911668726708
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Energy: 0.7817484196281508
Energy: 0.7472987834929788
Energy: 0.8137130373431946
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minimum gb energy = 0.6548242727763257 eV
minimum distance =  2.30919287555527 Angstroms
sigma value = 105


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

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Energy: 0.7148364861058405
Energy: 0.8185933054795457
Energy: 0.763556409694258
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Energy: 0.9224960172166505
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Energy: 0.86932073455527
Energy: 0.760221897874217
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Energy: 0.76149593039962
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Energy: 0.760009285420493
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Energy: 0.801682001260271
Energy: 0.7835343086328878
Energy: 0.7320170282023308
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Energy: 0.7123240710081247
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Energy: 0.7617739594581374
Energy: 0.8542864332614607
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Energy: 0.7114537967401865
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Energy: 0.8022826402405879
Energy: 0.7119516443390048
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Energy: 0.7391767518855579
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Energy: 0.8023739534456098
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Energy: 0.6981913515360335
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Energy: 0.7312628538639495
Energy: 0.740736043966956
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Energy: 0.7764488139202473
Energy: 0.7493853404542432
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Energy: 0.7691583836953206
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Energy: 0.8250997730252679
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Energy: 0.7460025840531833
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Energy: 0.8422229886384454
Energy: 0.8274789992347528
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Energy: 0.7340131374556681
Energy: 0.8178876818814497
Energy: 0.7414121292010487
Energy: 0.7183232798739362
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Energy: 0.8611633680250106
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Energy: 0.7184743056657471
Energy: 0.7860846936156105
Energy: 0.76410505785061
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Energy: 0.7303579732527146
Energy: 0.7214536708261037
Energy: 0.7296886458024537
Energy: 0.7959032162981154
Energy: 0.7564439315802653
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Energy: 0.7873032784210564
Energy: 0.7201564715163827
Energy: 0.7305068641084002
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Energy: 0.7200818707133965
Energy: 0.7306756573088239
Energy: 0.7433429937349061
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Energy: 0.8284247082713668
Energy: 0.8426708606018778
Energy: 0.7654319463062776
Energy: 0.8513831942966947
Energy: 0.7994974655614762
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Energy: 0.8445860454709
Energy: 0.7830552049001536
Energy: 0.7389827559261603
Energy: 0.7862921782085598
Energy: 0.8343346155448896
Energy: 0.7717351648058179
Energy: 0.8274855788828859
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Energy: 0.7868037984546108
Energy: 0.830403637105831
Energy: 0.7101051696051245
Energy: 0.8543846086628942
Energy: 0.755218945095357
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Energy: 0.7862025655953654
Energy: 0.7312228886580524
Energy: 0.8633565280925836
Energy: 0.7115004479538265
Energy: 0.7863893890897633
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Energy: 0.7527217079587106
Energy: 0.8013528903481734
Energy: 0.8069704606837749
Energy: 0.7617689173365768
Energy: 0.770951008835203
Energy: 0.7617779758862395
Energy: 0.8057250226695344
Energy: 0.8282731192170467
Energy: 0.7622228591452358
Energy: 0.7732995563264681
Energy: 0.7582874042730899
Energy: 0.8088425444010329
Energy: 0.8431784842476454
Energy: 0.8004323322271298
Energy: 0.7569869566209254
Energy: 0.7814808756258504
Energy: 0.787853324718396
Energy: 0.8109870337920921
Energy: 0.7978837398063778
Energy: 0.747967916187738
Energy: 0.7736542234196436
Energy: 0.8117427680446856
Energy: 0.7700984277376403
Energy: 0.7704648282550108
Energy: 0.7759911092205937
Energy: 0.7643168607064149
Energy: 0.7866764640602685
Energy: 0.7719848297154507
Energy: 0.7515853905948982
Energy: 0.7528009021536394
Energy: 0.7515500071585495
Energy: 0.7104462568069465
Energy: 0.8008728094961995
Energy: 0.7316759527362394
Energy: 0.8189759968190264
Energy: 0.7815665829746729
Energy: 0.711194360356834
Energy: 0.7649858048715329
Energy: 0.7083020112429707
Energy: 0.7971973047064284
Energy: 0.7731031400750149
Energy: 0.721716969239651
Energy: 0.838252993726044
Energy: 0.7226121424760258
Energy: 0.816605062893099
Energy: 0.8369328653933803
Energy: 0.7202503527438903
Energy: 0.7755563336697295
Energy: 0.723001489384703
Energy: 0.7771871957736043
Energy: 0.8497854804627206
Energy: 0.7577944238836009
Energy: 0.8122826399791111
Energy: 0.8248418700280854
Energy: 0.824421549561518
Energy: 0.8033703596174735
Energy: 0.8156196672742568
Energy: 0.8560975617597114
Energy: 0.8249681817736425
Energy: 0.8310249539704674
Energy: 0.8038735890725888
Energy: 0.8146382652806994
Energy: 0.8200411853368264
Energy: 0.8680790524189377
Energy: 0.7186881021592619
Energy: 0.7228364210115592
Energy: 0.8256790466432011
Energy: 0.7242677558837897
Energy: 0.7991664975379661
Energy: 0.7095819744873997
Energy: 0.7125817771728528
Energy: 0.8438156428578176
Energy: 0.7200182532587011
Energy: 0.7107336948230709
Energy: 0.7187180785933904
Energy: 0.7090455750338547
Energy: 0.7064642183315072
Energy: 0.7001549134433455
Energy: 0.709745387106121
Energy: 0.7174850069434074
Energy: 0.7089346757849361
Energy: 0.7905806615914147

minimum gb energy = 0.6981913515360335 eV
minimum distance =  2.31773338096829 Angstroms
sigma value = 165


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

Energy: 1.0005742470541208
Energy: 0.8171590748120909
Energy: 0.6915935262043702
Energy: 0.7683014261751885
Energy: 0.8148603255122567
Energy: 0.807675478366117
Energy: 0.6940047619577795
Energy: 0.6916793913561783
Energy: 0.7693931469506375
Energy: 0.8150286729873096
Energy: 0.757995121021471
Energy: 0.7605620425811591
Energy: 0.6927590802526091
Energy: 0.7609925245287626
Energy: 0.8345684977115707
Energy: 0.7603208382278224
Energy: 0.7598136178448612
Energy: 0.7641329192588723
Energy: 0.7622200627520692
Energy: 0.8371239498819519
Energy: 0.7645291915259818
Energy: 0.8259512771367442
Energy: 0.7665636496864064
Energy: 0.7686998179979295
Energy: 0.8299587948659086
Energy: 0.7651202853757297
Energy: 0.8251916889267334
Energy: 0.7720855890444039
Energy: 0.7684039671355862
Energy: 0.7682875697617473
Energy: 0.8161163216200811
Energy: 0.7647716115094765
Energy: 0.7628945697804937
Energy: 0.6931135063904014
Energy: 0.682530086027476
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Energy: 0.7671647197635783
Energy: 0.7610071869757364
Energy: 0.6926437889591764
Energy: 0.8307019362238015
Energy: 0.7610924370515799
Energy: 0.7564337346587648
Energy: 0.7605384726054464
Energy: 0.7605111737595517
Energy: 0.763460624401389
Energy: 0.7657500743362011
Energy: 0.6874368327005678
Energy: 0.7601073796492395
Energy: 0.7605848639851218
Energy: 0.7639012705208296
Energy: 0.8295967090670281
Energy: 0.7567065022450441
Energy: 0.7622219138318632
Energy: 0.683799799946231
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Energy: 0.8295328394083464
Energy: 0.7565384724610164
Energy: 0.7622759473959491
Energy: 0.6842853111505991
Energy: 0.6952659696919861
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Energy: 0.691198048646105
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Energy: 0.8352225251354172
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Energy: 0.691667335690235
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Energy: 0.6810946815905923
Energy: 0.7603027903638373
Energy: 0.7631425064351391
Energy: 0.7593049722784109
Energy: 0.7604103114771765
Energy: 0.7517406883696802
Energy: 0.7603944922007937
Energy: 0.7621726226111464
Energy: 0.7602745083049901
Energy: 0.6831182152844975
Energy: 0.68640419843481
Energy: 0.8342610514332824
Energy: 0.6914347277870475
Energy: 0.759072603157334
Energy: 0.8302968712194793
Energy: 0.6870806638527234
Energy: 0.7652630551653653
Energy: 0.6918327936207951
Energy: 0.7590771292821032
Energy: 0.8225376335833968
Energy: 0.8305444369820668
Energy: 0.7695607694254858
Energy: 0.7686753753261403
Energy: 0.7646055501298588
Energy: 0.7597860057418524
Energy: 0.8271706331171278
Energy: 0.768792878946399
Energy: 0.7699724250008422
Energy: 0.7654023428806556
Energy: 0.7593622575349598
Energy: 0.8317594801875755
Energy: 0.7691162568017851
Energy: 0.7710733532444123
Energy: 0.8249027422270595
Energy: 0.8124807115524304
Energy: 0.769144996845176
Energy: 0.7684931580689052
Energy: 0.7692150161906821
Energy: 0.8240613292922818
Energy: 1.0035903725495499
Energy: 0.7700643938769415
Energy: 0.7616000979542997
Energy: 0.7676816953831894
Energy: 0.7665919042519812
Energy: 0.6840827904890668
Energy: 0.7693742358075387
Energy: 0.7612037069519156
Energy: 0.7670134236866126
Energy: 0.7637247122335351
Energy: 0.768036709593502
Energy: 0.8167525996725916
Energy: 0.7610871578631149
Energy: 0.6949632032286793
Energy: 0.7610585702014773
Energy: 0.6917719070008322
Energy: 0.8159608015777711
Energy: 0.7617151787468042
Energy: 0.7629733428019502
Energy: 0.7600339613100535
Energy: 0.6921040050320241
Energy: 0.8302791083081571
Energy: 0.7620299218594351
Energy: 0.6948331675300085
Energy: 0.6855898118321407
Energy: 0.7625458033958684
Energy: 0.8306091237285662
Energy: 0.7636680796842403
Energy: 0.6940145389580153
Energy: 0.6832247942265679
Energy: 0.7613445632163153
Energy: 0.7555363325548343
Energy: 0.7658894129175066
Energy: 0.7686950487032805
Energy: 0.6937150506535811
Energy: 0.7601883613167549
Energy: 0.7519826562633273
Energy: 0.7633354318282392
Energy: 0.7686400033301874
Energy: 0.6938054329492473
Energy: 0.7599487432341497

minimum gb energy = 0.6810946815905923 eV
minimum distance =  2.30753891831094 Angstroms
sigma value = 41


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

Energy: 0.6822726992938962
Energy: 0.6610061531140199
Energy: 0.646114877109975
Energy: 0.6471503238073486
Energy: 0.6216569890090727
Energy: 0.6452168294580894
Energy: 0.6205625384257084
Energy: 0.651123769795571
Energy: 0.6677300514414026
Energy: 0.6892352797628695
Energy: 0.673584278995267
Energy: 0.7380841837436224
Energy: 0.653102362733628
Energy: 0.653364464780111
Energy: 0.6472650737514649
Energy: 0.7157856313384738
Energy: 0.6157465976138495
Energy: 0.6684280100910625
Energy: 0.6681798473852321
Energy: 0.7177958587505121
Energy: 0.6661480040813113
Energy: 0.7401542424918436
Energy: 0.7128444764219863
Energy: 0.6855961509063004
Energy: 0.7058703685015346
Energy: 0.7130170128521992
Energy: 0.6761902647727208
Energy: 0.6873205251876128
Energy: 0.7005100953665779
Energy: 0.6451960015095657
Energy: 0.7165065600696394
Energy: 0.6498752495673145
Energy: 0.735694882200708
Energy: 0.7136296585818018
Energy: 0.8412510035139356
Energy: 0.7161410010556557
Energy: 0.6574039394546806
Energy: 0.6691682991644851
Energy: 0.6996430031105945
Energy: 0.7902832254013046
Energy: 0.7604397676490067
Energy: 0.6996317288916903
Energy: 0.728892748801586
Energy: 0.719829039511082
Energy: 0.7180145122093612
Energy: 0.7246410376925299
Energy: 0.6649344654279237
Energy: 0.6892053178909504
Energy: 0.7200102458557733
Energy: 0.7372217644681733
Energy: 0.7088634913008515
Energy: 0.6275719297450374
Energy: 0.7056850398804048
Energy: 0.6595319547511331
Energy: 0.732359642392065
Energy: 0.7516226213861
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Energy: 0.7585800255662094
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Energy: 0.7321930950336932
Energy: 0.7159270382794433
Energy: 0.7489347111852374
Energy: 0.6917453249485394
Energy: 0.6982765348657923
Energy: 0.7270490511740745
Energy: 0.691394974990718
Energy: 0.6921847767281211
Energy: 0.6732388182177601
Energy: 0.7022540528007248
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Energy: 0.677002683740149
Energy: 0.6955511402538158
Energy: 0.6380805496723706
Energy: 0.6654993092285731
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Energy: 0.6380243706846139
Energy: 0.6345458221187967
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Energy: 0.638413986896222
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Energy: 0.6380720451649057
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Energy: 0.7158808019942793
Energy: 0.6467525103201439
Energy: 0.6220822791422868
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Energy: 0.6910704622326517
Energy: 0.7278932770588518
Energy: 0.67445581314991
Energy: 0.6758204855226649
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Energy: 0.7160801945616316
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Energy: 0.6621639950331558
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Energy: 0.6342581886874594
Energy: 0.725594785079142
Energy: 0.683105269965278
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Energy: 0.7283792408790398
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Energy: 0.6765756278131816
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Energy: 0.7331156431712743
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Energy: 0.620211340988315
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Energy: 0.6610391727050975
Energy: 0.7232957900315673
Energy: 0.7208411329864972
Energy: 0.6195102025184135
Energy: 0.6787593200180086
Energy: 0.6783163849934865
Energy: 0.7402361546926677
Energy: 0.7077799745567401
Energy: 0.6586546502013009
Energy: 0.7130746237011939
Energy: 0.7063522240852325
Energy: 0.717140097937873
Energy: 0.7073572349694063
Energy: 0.6352934850815909
Energy: 0.7190477725302269
Energy: 0.7070926450985876
Energy: 0.7174471828317821
Energy: 0.7117095425457802
Energy: 0.7079612213208412
Energy: 0.7058136120590441
Energy: 0.7056710854305521
Energy: 0.7088444857803374
Energy: 0.7408675800501138
Energy: 0.6873297653652585
Energy: 0.6814384619119795
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Energy: 0.7067985727424718
Energy: 0.7019095363044262
Energy: 0.7060469272000234
Energy: 0.7398577100462643
Energy: 0.7169840901948795
Energy: 0.7422900483449634
Energy: 0.6896241401462817
Energy: 0.718025518520687
Energy: 0.7388249545181516
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Energy: 0.7569650635244537
Energy: 0.6722734597053586
Energy: 0.7450426244494532
Energy: 0.7319239497477792
Energy: 0.7428520752408718
Energy: 0.7437288828078144
Energy: 0.7569541971755848
Energy: 0.7220912600789354
Energy: 0.7304864842310317
Energy: 0.7391286944230989
Energy: 0.7433697786658481
Energy: 0.7297586533263675
Energy: 0.7130580038495697
Energy: 0.7020719457998177
Energy: 0.6553318925702653
Energy: 0.7508149914361316
Energy: 0.713652111336508
Energy: 0.6919191590647367
Energy: 0.720113368970347
Energy: 0.6696332387667119
Energy: 0.7153293267044607
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Energy: 0.7040405863943178
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Energy: 0.6480541167991705
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Energy: 0.7604194983884888
Energy: 0.6647060883619409
Energy: 0.6814288139508264
Energy: 0.6610769408054314
Energy: 0.6371537933592928
Energy: 0.6825075430152814
Energy: 0.6776429834448964
Energy: 0.6202900599312436
Energy: 0.6462025508342847
Energy: 0.6367866437475224
Energy: 0.7352937570402817
Energy: 0.6767119767677451
Energy: 0.684579614658216
Energy: 0.6601333705304235
Energy: 0.681246501117737
Energy: 0.7722790037428886
Energy: 0.6527256149097109
Energy: 0.6461298999226247
Energy: 0.617138223536313
Energy: 0.7119620837943783
Energy: 0.7249869912166593
Energy: 0.6687479283925987
Energy: 0.6214540315418723
Energy: 0.6424178300996106
Energy: 0.6464616850476896
Energy: 0.646768579722582
Energy: 0.6669162006629159
Energy: 0.690062899341966
Energy: 0.6145315044508405
Energy: 0.7719325059074186
Energy: 0.6469443324685377
Energy: 0.6558735919810469
Energy: 0.653687791939294
Energy: 0.7180664203638037

minimum gb energy = 0.6145315044508405 eV
minimum distance =  2.3346849210514 Angstroms
sigma value = 185


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

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Energy: 0.32615980411718176
Energy: 0.40096592843277146
Energy: 0.40226717500328446
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Energy: 0.4345006401626944
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Energy: 0.30253759446118766
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Energy: 0.5094059229570207
Energy: 0.4261286820282365
Energy: 0.3082626794225453
Energy: 0.29633426960168907
Energy: 0.4185935423825728
Energy: 0.432730619693013
Energy: 0.4141114550069198
Energy: 0.297252200475409
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Energy: 0.42118387784402656
Energy: 0.43960565276226726
Energy: 0.40614326348158136
Energy: 0.4346075650855458
Energy: 0.41168161936594916
Energy: 0.41452539000484195
Energy: 0.40374324613101803
Energy: 0.4085794693206267
Energy: 0.4101416805492304
Energy: 0.3950142727459103
Energy: 0.41062350970642186
Energy: 0.4036448834869079
Energy: 0.42672909468977077
Energy: 0.3754576457877278
Energy: 0.41093295218121406
Energy: 0.3941888773049419
Energy: 0.410542524864995
Energy: 0.40851603540521986
Energy: 0.25760194580408813
Energy: 0.3949262848700393
Energy: 0.39414642162664676
Energy: 0.4405776772417396
Energy: 0.34739393187839457

minimum gb energy = 0.24856302467076202 eV
minimum distance =  2.3816452739057 Angstroms
sigma value = 33


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

Energy: 0.6365374518722797
Energy: 0.5952464536044163
Energy: 0.6025961004600486
Energy: 0.6123732327946941
Energy: 0.5978033385911405
Energy: 0.5964000766625783
Energy: 0.5951687568456508
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Energy: 0.6263529852914005
Energy: 0.6319936577496439
Energy: 0.6115074555879823
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Energy: 0.6528949662988548
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Energy: 0.5954419938187885
Energy: 0.6094858352095093
Energy: 0.6232105251145195
Energy: 0.601140337494024
Energy: 0.6064620843302331
Energy: 0.6545035089246957
Energy: 0.6092371727965349
Energy: 0.6139725449487003
Energy: 0.6007587886533682
Energy: 0.5852834511248055
Energy: 0.6484729888012789
Energy: 0.6148312512970391
Energy: 0.6171470916580936
Energy: 0.6067948098959252
Energy: 0.5824717781009566
Energy: 0.5865874237360472
Energy: 0.6138771732448557
Energy: 0.615468733476944
Energy: 0.6034959203586956
Energy: 0.5973822030925187
Energy: 0.5988639129516414
Energy: 0.6121811546470592
Energy: 0.6106049778689381
Energy: 0.5980791189091638
Energy: 0.5995138260312911
Energy: 0.5943722223110569
Energy: 0.6010626461142681
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Energy: 0.6148410600840767
Energy: 0.606388998977017
Energy: 0.5980393159583808
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Energy: 0.6163960936504314
Energy: 0.5944641878442746
Energy: 0.606704792036117
Energy: 0.6201629771546487
Energy: 0.6207306705715484

minimum gb energy = 0.5602345258150022 eV
minimum distance =  2.35416880027488 Angstroms
sigma value = 219


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

Energy: 0.7807742889732305
Energy: 0.8549352976891043
Energy: 0.7977452149743007
Energy: 0.7619591907888243
Energy: 0.8332744798254089
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Energy: 0.7549351476804481
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Energy: 0.8164552324897172
Energy: 0.7604917081612916
Energy: 0.7617712507229721
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Energy: 0.7910018411994065
Energy: 0.799204259150186
Energy: 0.8127700471235774
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Energy: 0.8188369469796608
Energy: 0.735598892252977
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Energy: 0.8102825405177776
Energy: 0.764253175878821
Energy: 0.8182679291099666
Energy: 0.7368462515514842
Energy: 0.816416056733958
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Energy: 0.7280187616553
Energy: 0.8136485658062476
Energy: 0.7962681917449126
Energy: 0.8173349740737983
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Energy: 0.7279770340800095
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Energy: 0.8768364433369721
Energy: 0.8058745009488752
Energy: 0.8210354078593639
Energy: 0.7281361727623004
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Energy: 0.8176542300961696
Energy: 0.74852290760061
Energy: 0.819329627906459
Energy: 0.7298814007064774
Energy: 0.727505538392201
Energy: 0.8481934830781098
Energy: 0.7419665163737132
Energy: 0.8170782027563309
Energy: 0.8538178731268703
Energy: 0.7768505953697311
Energy: 0.762288785219234
Energy: 0.817478015574239
Energy: 0.8169146097072256
Energy: 0.8176747706551349
Energy: 0.7783944932301741
Energy: 0.7973612331073593
Energy: 0.8165646881356822
Energy: 0.8150836506189767
Energy: 0.8329634664356816
Energy: 0.7974281706894099
Energy: 0.7653579398124963
Energy: 0.765853338093859
Energy: 0.8207894586658999
Energy: 0.8441131615301892
Energy: 0.801706027347163
Energy: 0.763682448459342
Energy: 0.762098715294178
Energy: 0.8193956114324645

minimum gb energy = 0.7203315071938199 eV
minimum distance =  2.35354063254776 Angstroms
sigma value = 15


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

Energy: 0.8787416447929978
Energy: 0.88257582987356
Energy: 0.9339590908496624
Energy: 0.8932788128991065
Energy: 0.8980027847895268
Energy: 0.9104300748523751
Energy: 0.9063884539492427
Energy: 0.8993917937154818
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Energy: 0.9244893645590643
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Energy: 0.8781362950682617
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Energy: 0.8749580790465246
Energy: 0.8779984984135584
Energy: 0.8972507049261804
Energy: 0.8747737143548315
Energy: 0.8741639693677158
Energy: 0.9028825004498379
Energy: 0.9152388852748777
Energy: 0.9021310668813353
Energy: 0.9001370814858879
Energy: 0.8749178514981334
Energy: 0.8934404161927776
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Energy: 0.8901155811919732
Energy: 0.8793592163400384
Energy: 0.8893925915921984
Energy: 0.8997996270329602
Energy: 0.9456639824005749
Energy: 0.883103512234333
Energy: 0.8795373924349369
Energy: 0.9395721886340705
Energy: 0.8991750980961455
Energy: 0.9326854202876254
Energy: 0.8582336732027652
Energy: 0.8741280521697665
Energy: 0.8542507549725421
Energy: 0.8607162807488995
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minimum gb energy = 0.8517785548933093 eV
minimum distance =  2.30044322154238 Angstroms
sigma value = 293


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

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Energy: 0.9175108861719978
Energy: 0.9507436485887699
Energy: 0.8768413187191728
Energy: 0.8962473824424275
Energy: 0.9185206044451218
Energy: 0.9231221083886112
Energy: 0.8783101701232082
Energy: 0.8779281607288245
Energy: 0.9241371356919613
Energy: 0.9190065891004168
Energy: 0.9235281107898506
Energy: 0.8770850354435097
Energy: 0.8781701669344896
Energy: 0.9225651166641862
Energy: 0.845723771662682
Energy: 0.9313677304602341
Energy: 0.8766043401955566
Energy: 0.8766524615024559
Energy: 0.9009777968028416
Energy: 0.8509062637214787
Energy: 0.8998446869685767
Energy: 0.8769667999916493
Energy: 0.877534496467139
Energy: 0.9056889281025937
Energy: 0.9052453426697057
Energy: 0.8791180882633006
Energy: 0.875694176391457
Energy: 0.8780503807324648
Energy: 0.8763934730077786
Energy: 0.9047429009063263
Energy: 0.879389464525584
Energy: 0.8755839284445278
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Energy: 0.878670643879412
Energy: 0.8869129094029671
Energy: 0.8744028016746631
Energy: 0.8943818379688684
Energy: 0.9280728726451464
Energy: 0.9116316803314128
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Energy: 0.8743898585522871
Energy: 0.8964911472837327
Energy: 0.8836781799518316
Energy: 0.9179976117813585
Energy: 0.8901954945446006
Energy: 0.8554721800776101
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Energy: 0.8470166516074034
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Energy: 0.8963786807530968
Energy: 0.848020230846199
Energy: 0.9289979539275164
Energy: 0.8777948810575201
Energy: 0.8872324611266456
Energy: 0.8988774135701434
Energy: 0.8473043035382771
Energy: 0.8541951401786816
Energy: 0.8777150886728815
Energy: 0.8787718792175466
Energy: 0.8772498764226024
Energy: 0.8802713927560025
Energy: 0.913169044273553
Energy: 0.8774319645661448
Energy: 0.8762668844956895
Energy: 0.8749459720464262
Energy: 0.8978323497974007
Energy: 0.9118265070329277
Energy: 0.8755999548586778
Energy: 0.8772328095854875
Energy: 0.9308808075000767
Energy: 0.8723688726201726
Energy: 0.9008500452847604
Energy: 0.8789596053184761
Energy: 0.9105588021949673
Energy: 0.8703925135929076
Energy: 0.8700198068406378
Energy: 0.9014466331346791
Energy: 0.8788196391363082
Energy: 0.9105617856809736
Energy: 0.8794921048554081
Energy: 0.9225112999566132
Energy: 0.925756555356174
Energy: 0.897107605272959
Energy: 0.9035469060002591
Energy: 0.8859885953476934
Energy: 0.9240834702712392
Energy: 0.9262713088275647
Energy: 0.8961233909003989
Energy: 0.8813435215660794
Energy: 0.9019907207578578
Energy: 0.9274056737459572
Energy: 0.9223875204379733
Energy: 0.9031624705360309
Energy: 0.922178284763626
Energy: 0.9009823338906188
Energy: 0.9251591517878687
Energy: 0.9243306173355095
Energy: 0.9097147513323333
Energy: 0.9557760571666115
Energy: 0.8777275434014375
Energy: 0.8802874472012546
Energy: 0.9344773507153014
Energy: 0.8950810161669313
Energy: 0.8764961516116978
Energy: 0.879393672371981
Energy: 0.8820514127757839
Energy: 0.8957221709423131
Energy: 0.9057778357173026
Energy: 0.8761763430996371
Energy: 0.8764904471900957
Energy: 0.9028411992209264
Energy: 0.8435992635456504
Energy: 0.8438165995754021
Energy: 0.8827579319516489
Energy: 0.8766437977304725
Energy: 0.9006395910787299
Energy: 0.8434822224972063
Energy: 0.843674804629715
Energy: 0.8816564723210196
Energy: 0.8768717522322924
Energy: 0.8789681918511075
Energy: 0.8949164208142535
Energy: 0.8750209294255712
Energy: 0.8867425744348387
Energy: 0.8784344205383713
Energy: 0.8793039523177892
Energy: 0.8968828106750691
Energy: 0.8751167230712141
Energy: 0.8800953818473883
Energy: 0.8899659569744246
Energy: 0.8716034896554749
Energy: 0.8733966984538917
Energy: 0.9223356643405866
Energy: 0.8769141288000373
Energy: 0.8864965067051714
Energy: 0.8714416013721568
Energy: 0.8701230785676277
Energy: 0.9218267337432238
Energy: 0.8794880623476035
Energy: 0.8480626426937855
Energy: 0.8777519295405399
Energy: 0.9030381711049751
Energy: 0.9262633500536807
Energy: 0.848191606108579
Energy: 0.8878283657550339
Energy: 0.8761611810772663
Energy: 0.9256997476162829
Energy: 0.9203730117520954
Energy: 0.8515951548103021
Energy: 0.9264282998215777
Energy: 0.8787572118768223
Energy: 0.8727517611798195
Energy: 0.9269785616595514
Energy: 0.8489723075791813
Energy: 0.9254115845608673
Energy: 0.8893526220656919
Energy: 0.8720984952514461
Energy: 0.9464776319616194
Energy: 0.8481622092025481
Energy: 0.880509315108213
Energy: 0.8753154712609211
Energy: 0.8878354920543369
Energy: 0.9247572507917814
Energy: 0.8829566113798438
Energy: 0.8793240868800366
Energy: 0.8789137905982761
Energy: 0.883827501010393
Energy: 0.9222838007009811
Energy: 0.8760575972588649
Energy: 0.9111372518977751
Energy: 0.8786100328288075
Energy: 0.90140699275109
Energy: 0.8707010485177957
Energy: 0.8705213163623882
Energy: 0.9117566328951843
Energy: 0.8793304133967206
Energy: 0.9017574611212893
Energy: 0.8705261044396845
Energy: 0.8697048925839435
Energy: 0.8758862437890107
Energy: 0.8962951026855481
Energy: 0.950550576488266
Energy: 0.8982120662367489
Energy: 0.9209438340406287
Energy: 0.9040878381403232
Energy: 0.8971112986559913
Energy: 0.9506745607936951
Energy: 0.8801462546834351
Energy: 0.9214857425095352
Energy: 0.8845391236757626
Energy: 0.8908505920254214
Energy: 0.8805550858603018
Energy: 0.8752051588391556
Energy: 0.9192518023008139
Energy: 0.8791925081100439
Energy: 0.8989915301675176
Energy: 0.9490280585329091
Energy: 0.8758078931705696
Energy: 0.9200405552263974
Energy: 0.8438459304980884
Energy: 0.9236272644558801
Energy: 0.8747137666520615
Energy: 0.8794418297803906
Energy: 0.9465493381968765
Energy: 0.9224853934568146
Energy: 0.9245108123822392
Energy: 0.8836560882527742
Energy: 0.8781915713221585
Energy: 0.9311031786919238

minimum gb energy = 0.8434822224972063 eV
minimum distance =  2.31698571628797 Angstroms
sigma value = 293


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

Energy: 0.8632105088423119
Energy: 0.8751066557867265
Energy: 0.9552244465368788
Energy: 0.8836159080700785
Energy: 0.8739254545899615
Energy: 0.8633629758618072
Energy: 0.8862102548381311
Energy: 0.9542259855008912
Energy: 0.8847945905166973
Energy: 0.8721372306941347
Energy: 0.8683458187718662
Energy: 0.8793349270967308
Energy: 0.8780151155432872
Energy: 0.8774593305969172
Energy: 0.8800517299121237
Energy: 0.9346245647996332
Energy: 0.879528813871533
Energy: 0.8710543934388081
Energy: 0.8781553910464803
Energy: 0.8810201384654753
Energy: 0.8800321790248726
Energy: 0.8791663861987796
Energy: 0.8808290182384149
Energy: 0.8849129336778476
Energy: 0.9358857568397769
Energy: 0.8789254578203372
Energy: 0.8776575716678051
Energy: 0.8796096392849371
Energy: 0.956998852815351
Energy: 0.9372819810133662
Energy: 0.9547391692044053
Energy: 0.8670108426265372
Energy: 0.8695547630326824
Energy: 0.8797833268927941
Energy: 0.9377245422982722
Energy: 0.9543489739779041
Energy: 0.8663666161155671
Energy: 0.8713171983909139
Energy: 0.879450509653775
Energy: 0.866440365009996
Energy: 0.8802558685199456
Energy: 0.8733691976680609
Energy: 0.8661770593339938
Energy: 0.932567597888008
Energy: 0.881812553550031
Energy: 0.8794626717309524
Energy: 0.8709963602144646
Energy: 0.8664693682873856
Energy: 0.9416479237790669
Energy: 0.8798875290894411
Energy: 0.8797143273608109
Energy: 0.9550667291366522
Energy: 0.8870856155263119
Energy: 0.8790870993903012
Energy: 0.8763597986875508
Energy: 0.8803521590540652
Energy: 0.9518938711292594
Energy: 0.8850343974560002
Energy: 0.879500837725563
Energy: 0.8786281469894879
Energy: 0.8818451892450234
Energy: 0.8661564822716725
Energy: 0.8796082268639202
Energy: 0.8794513088460679
Energy: 0.9371847651359582
Energy: 0.881896647066461
Energy: 0.8649841306383915
Energy: 0.8801170362608641
Energy: 0.8791465865178552
Energy: 0.8847729151445674
Energy: 0.8817034201594147
Energy: 0.9305839251485477
Energy: 0.8852926787493572
Energy: 0.8657700511436235
Energy: 0.875740625431262
Energy: 0.8900029370527022
Energy: 0.9292217339005865
Energy: 0.8835314034521383
Energy: 0.8655664170200167
Energy: 0.8734434923853193
Energy: 0.8789087400276163
Energy: 0.8703678320656659
Energy: 0.8773509934381626
Energy: 0.8683006554721562
Energy: 0.9393067754092609
Energy: 0.878665522291316
Energy: 0.8779453910864085
Energy: 0.8781373627996926
Energy: 0.8673654360577903
Energy: 0.9440146328367309
Energy: 0.8795937310242017
Energy: 0.8816522103946389
Energy: 0.9299411957273553
Energy: 0.8864686782971466
Energy: 0.8837931125482463
Energy: 0.881990097347955
Energy: 0.8832404213463089
Energy: 0.9302720472197185
Energy: 0.9473491736796867
Energy: 0.8790496291739389
Energy: 0.8679600603795883
Energy: 0.8920632159293034
Energy: 0.8763899265043089
Energy: 0.8801016052457824
Energy: 0.9392917068209917
Energy: 0.8683896346538408
Energy: 0.8830658617934688
Energy: 0.8646607428544167
Energy: 0.8805827051219192
Energy: 0.9377304589875821
Energy: 0.8633480066771747
Energy: 0.8843428298630773
Energy: 0.9585104615580057
Energy: 0.8834488383493412
Energy: 0.8739234075590229
Energy: 0.8637784955053777
Energy: 0.8861141134679372
Energy: 0.8895240550488451
Energy: 0.8848390670080112
Energy: 0.8727920844301537
Energy: 0.9387697362977423
Energy: 0.8790333447613061
Energy: 0.8781607917270536
Energy: 0.877992657738767
Energy: 0.8808200483383294
Energy: 0.9348334367870706
Energy: 0.8791133257936378
Energy: 0.8713521003709921
Energy: 0.8781758999716718
Energy: 0.8846917507659708
Energy: 0.8800944474889438
Energy: 0.879573057352198
Energy: 0.8806845997596532
Energy: 0.8884510960333832
Energy: 0.9361384198415323
Energy: 0.8789492286413232
Energy: 0.8780201270775322
Energy: 0.8796956228107575
Energy: 0.9511284013032161
Energy: 0.9374053768555907
Energy: 0.9547793727292132
Energy: 0.8668387158990251
Energy: 0.8693087543777135
Energy: 0.8792764194308694
Energy: 0.9378322857750123
Energy: 0.9541214598977106
Energy: 0.8662934963737645
Energy: 0.8710793613571584
Energy: 0.8794452196404239
Energy: 0.9368950934594692
Energy: 0.8801105397859637
Energy: 0.8726322343276675
Energy: 0.8661114133063207
Energy: 0.935121398311906
Energy: 0.8809740999391992
Energy: 0.8793984377637901
Energy: 0.8710580985262364
Energy: 0.8664932681598735
Energy: 0.8832816967559648
Energy: 0.8800265039629126
Energy: 0.8798004781173
Energy: 0.9527789931631533
Energy: 0.8872867519287341
Energy: 0.878750415713779
Energy: 0.8733423018779001
Energy: 0.8801244971053164
Energy: 0.9507841141981053
Energy: 0.8851836787172429
Energy: 0.8790306499084642
Energy: 0.8786742847823046
Energy: 0.8824896928953877
Energy: 0.8660697640839228
Energy: 0.8798079230521036
Energy: 0.8795371030626967
Energy: 0.9339370648744624
Energy: 0.8813130542739658
Energy: 0.8650323634441321
Energy: 0.8809994975347504
Energy: 0.878816709373274
Energy: 0.8851315940877786
Energy: 0.8825802816640308
Energy: 0.930496141958481
Energy: 0.8855574628053422
Energy: 0.8658492403729801
Energy: 0.875156355318354
Energy: 0.8950175527146631
Energy: 0.9289305910733969
Energy: 0.8839104682561021
Energy: 0.8654905943474149
Energy: 0.8735780270826021
Energy: 0.8791577113220642
Energy: 0.871395159318236
Energy: 0.8781705580883951
Energy: 0.8684968426509762
Energy: 0.9403029628357151
Energy: 0.878857766013669
Energy: 0.8777066969380439
Energy: 0.8787249171414127
Energy: 0.8674670221422207
Energy: 0.8826191555513113
Energy: 0.8798210912218485
Energy: 0.8812624813064597
Energy: 0.9292620489717114
Energy: 0.8866558865557452
Energy: 0.8829614387617667
Energy: 0.8815605198007632
Energy: 0.8826454323966778
Energy: 0.9315040367236
Energy: 0.9415656042655729
Energy: 0.8798287285692726
Energy: 0.8673143585434844
Energy: 0.891322741449339
Energy: 0.8765808932225854
Energy: 0.8808178997886319
Energy: 0.940211303908872
Energy: 0.8678722106313883
Energy: 0.8819763877453698
Energy: 0.8645992388706479
Energy: 0.8805949470345388
Energy: 0.9381890927537173

minimum gb energy = 0.8632105088423119 eV
minimum distance =  2.32222673085231 Angstroms
sigma value = 15


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

Energy: 0.8471292203447204
Energy: 0.9038974683158892
Energy: 0.9371734472458048
Energy: 0.843098427164316
Energy: 0.9265227971216228
Energy: 0.8434216544743877
Energy: 0.9049915875013548
Energy: 0.9312330799080794
Energy: 0.8448909978469654
Energy: 0.8942732781011893
Energy: 0.8277849047811205
Energy: 0.8736348929776194
Energy: 0.8859068510901207
Energy: 0.8851317483310377
Energy: 0.9363618635452268
Energy: 0.8345596632150856
Energy: 0.8729644455386579
Energy: 0.883545228778934
Energy: 0.917049600094603
Energy: 0.8987177302573578
Energy: 0.85911029669015
Energy: 0.8927659619728567
Energy: 0.842980462779151
Energy: 0.8829442582426683
Energy: 0.8510178977194571
Energy: 0.8342610996819642
Energy: 0.8871917996497094
Energy: 0.8572131506780193
Energy: 0.89730862823816
Energy: 0.9736383595270026
Energy: 0.909521296076727
Energy: 0.8520466996001366
Energy: 0.9183549482550082
Energy: 0.8411474166710431
Energy: 0.96086674473875
Energy: 0.9232429813181109
Energy: 0.8524846901578148
Energy: 0.9054390720805691
Energy: 0.9795059704866519
Energy: 0.8472661381538176
Energy: 1.0130970580730971
Energy: 0.9326532052959122
Energy: 0.836904297196686
Energy: 0.843854854355587
Energy: 0.8299901419618696
Energy: 0.8399509226804847
Energy: 0.9223897689670385
Energy: 0.8751761003544686
Energy: 0.8430323418584732
Energy: 0.8283756748764215
Energy: 0.8288423464193619
Energy: 0.841203299877979
Energy: 0.840431966181052
Energy: 0.9551969908593724
Energy: 1.0384395980458887
Energy: 0.8499312847997131
Energy: 0.8431142639938329
Energy: 0.8417003026858157
Energy: 1.0023876575974764
Energy: 1.0192888016401394
Energy: 0.8450022572000387
Energy: 0.8397239417207248
Energy: 0.8419928441257434
Energy: 0.867822445142732
Energy: 0.8928075626969764
Energy: 0.8446264211895962
Energy: 0.8421542860715154
Energy: 0.8425506210610824
Energy: 0.8630804360846112
Energy: 0.9057852476876475
Energy: 0.8739471033117742
Energy: 0.8413735737140037
Energy: 0.864686760912788
Energy: 0.8383882555866465
Energy: 0.9504754538875491
Energy: 0.847612609386791
Energy: 0.8420271723435453
Energy: 0.8723428409929503
Energy: 0.8396686012430989
Energy: 0.9204911116566068
Energy: 0.8478264431116687
Energy: 1.0548356011498758
Energy: 0.9388403402492501
Energy: 0.9006181328111204
Energy: 0.8559256749969251
Energy: 0.8458914404503677
Energy: 1.0535664835115535
Energy: 0.9123360422752195
Energy: 0.8994861571989953
Energy: 0.8546777552726429
Energy: 0.9062460343891643
Energy: 0.8463781468315985
Energy: 0.8768745636649063
Energy: 0.8551989838564047
Energy: 0.8594719140073692
Energy: 0.8914825494027601
Energy: 0.8966127475582198
Energy: 0.8392378518044672
Energy: 0.8678324279610289
Energy: 0.8538309472345476
Energy: 0.9026262528691845
Energy: 0.9011855486336932
Energy: 0.83716549632006
Energy: 0.8549754506579732
Energy: 0.8566326213866206
Energy: 0.9027837902490922
Energy: 0.9152914814331157
Energy: 0.8467290274055082
Energy: 0.8485631524769277
Energy: 0.8669034210284471
Energy: 1.0103854381770228
Energy: 0.883816262844005
Energy: 0.844430057327971
Energy: 0.8300316373050538
Energy: 0.9519902185983207
Energy: 1.0108554658005506
Energy: 0.8944209624676951
Energy: 0.8294289148717991
Energy: 0.8303599080927024
Energy: 0.9473764696974367
Energy: 0.9170992780726519
Energy: 0.917014559920111
Energy: 0.8461249060325917
Energy: 0.9332584805524299
Energy: 0.9015249477534691
Energy: 0.9217484224957062
Energy: 0.8869183285904053
Energy: 0.8475219466536371
Energy: 0.9334720792460967
Energy: 0.9127015119717433
Energy: 0.8807654164949189
Energy: 0.8971917555937186
Energy: 0.9487198562114936
Energy: 0.8707091699162818
Energy: 0.8479005894090574
Energy: 0.8806080793817687
Energy: 0.8924126183362247
Energy: 0.825529015817511
Energy: 0.8652496805530466
Energy: 0.8473821090904203
Energy: 0.8432536077012784
Energy: 0.8648537422486442
Energy: 0.9820763728565525
Energy: 0.8370778462282447
Energy: 0.8465505693657791
Energy: 0.8429445119842982
Energy: 0.8736835579173886
Energy: 0.9784106264500066
Energy: 0.8463136133030719
Energy: 0.8451478698120338
Energy: 0.9956098792623181
Energy: 0.9855976939891857
Energy: 0.8582065522292271
Energy: 0.8960652331217276
Energy: 0.8849476292776856
Energy: 0.877707168086216
Energy: 0.976047526050487
Energy: 0.8697297604973376
Energy: 0.8901708427499311
Energy: 0.8301551673930795
Energy: 0.8342023888944058
Energy: 0.8932958421716045
Energy: 0.8276945373775072
Energy: 0.8775835407914527
Energy: 0.904058335890771
Energy: 0.8412431435797154
Energy: 0.9198093773042542
Energy: 0.8314987987487487
Energy: 0.9682772873059734
Energy: 0.9088226213581654
Energy: 0.9019441998091621
Energy: 1.0188585675823076
Energy: 0.8274296004316744
Energy: 0.8783668317848259
Energy: 0.8475503102659925
Energy: 0.899310304447736
Energy: 1.0198724743532626
Energy: 0.8276391489397817
Energy: 0.8529909203108549
Energy: 0.8461671740858389
Energy: 0.8415012884100145
Energy: 0.8637201274461767
Energy: 0.8597932205056265
Energy: 0.8448598085231757
Energy: 0.8467555247623515
Energy: 0.8414017825013668
Energy: 0.830249621084558
Energy: 0.8510612307727722
Energy: 0.844554648167037
Energy: 0.8493102982371452
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Energy: 0.826109335449797
Energy: 0.9248824437659574
Energy: 1.053305577162426
Energy: 0.8480926009485107
Energy: 0.8276146188417717
Energy: 0.826183793045166
Energy: 0.9352341457133146
Energy: 1.0547680730576305
Energy: 0.8743059560707047
Energy: 0.8748579677601694
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Energy: 0.8889506170576605
Energy: 0.8565542795026454
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Energy: 0.8879230964015843
Energy: 1.0034301978314568
Energy: 1.0027394859278644
Energy: 0.9117583047549879
Energy: 0.8403787188587124
Energy: 0.8898525136315454
Energy: 1.0017861385584146
Energy: 0.9356634803457567
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Energy: 0.9211583080778232
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Energy: 0.9130925612394983
Energy: 0.847191284722449
Energy: 0.8804975721381699
Energy: 0.9128240307986366
Energy: 0.9446774593411545
Energy: 0.8400412586417452
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Energy: 0.8440430205898882
Energy: 0.8843656804514997
Energy: 0.8265855523185514
Energy: 0.8283411116604125
Energy: 0.8681958042786256
Energy: 0.84379428230925
Energy: 0.8890710720992872
Energy: 0.8267270443027538
Energy: 0.8739967905378064
Energy: 0.9797722489081345
Energy: 0.8932507492583485
Energy: 0.9851845487315699
Energy: 0.9930457294881303
Energy: 0.875820454068674
Energy: 0.861108288766019
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Energy: 0.9997296317737886
Energy: 0.9942126743622124
Energy: 0.8708850832985817
Energy: 0.9340967084752445
Energy: 0.8384153422108429
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Energy: 0.844805814430978
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Energy: 0.8459018752999581
Energy: 0.8863835465950797
Energy: 0.8446374007301772
Energy: 0.8431743128010423
Energy: 0.8428112882561839
Energy: 0.9787470109058043
Energy: 1.0193956833781366
Energy: 0.8567313296312663
Energy: 0.8432418132300001
Energy: 0.8430230907584623
Energy: 0.9885218749798884
Energy: 1.1726694369207746
Energy: 0.845581598190222
Energy: 0.8447335911344551
Energy: 0.8440984032438423
Energy: 0.8536012037368783
Energy: 0.9066227667430011
Energy: 0.8443691271875345
Energy: 0.8411052422838403
Energy: 0.8424936528263067
Energy: 0.8629981403271748
Energy: 0.9344758705501228
Energy: 0.8478997098364001
Energy: 0.8433421242652731
Energy: 0.8517319585064675
Energy: 0.8379358147811035
Energy: 0.9184493513713023
Energy: 0.8468309033735814
Energy: 0.8433118488032818
Energy: 0.8910383057138138
Energy: 0.8382368221837978
Energy: 0.9287337316757742
Energy: 0.848774153062974
Energy: 0.9001675113915784
Energy: 0.9202897060374735
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Energy: 0.8335281965686662
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Energy: 0.8509150975325899
Energy: 0.9344126239701798
Energy: 0.9508646268147376
Energy: 0.8847148699043983
Energy: 0.8893564985444441
Energy: 0.8290483363883978
Energy: 0.8730031864891582
Energy: 0.8299294729313434
Energy: 0.8358206426536983
Energy: 0.8905907776544777
Energy: 0.8278292985851367
Energy: 0.8847063897081424
Energy: 0.8368096616065094
Energy: 0.8431747624288358
Energy: 0.9052555582073254
Energy: 0.8870278350988038
Energy: 0.8430122799844916
Energy: 0.8663416769368955
Energy: 0.8665138488581251
Energy: 0.9007748246775789
Energy: 0.8512230805821404
Energy: 0.8502605482075146
Energy: 0.8572771535182072
Energy: 0.8579761852493217
Energy: 1.0101474913271824
Energy: 0.9271662176852976
Energy: 0.8289208749361333
Energy: 0.830086840961652
Energy: 0.8498467517297781
Energy: 1.0099127808163124
Energy: 0.949162286210276
Energy: 0.8353870675399511
Energy: 0.8363423369876348
Energy: 0.8499734779232143
Energy: 0.9167383339698667
Energy: 0.831715677709845
Energy: 0.8451125523409758
Energy: 0.9007742872082396
Energy: 0.8940610024888912
Energy: 0.9170090027775832
Energy: 0.8473836367949865
Energy: 0.8430591684685851
Energy: 0.9348608129575234
Energy: 0.9022008424482002
Energy: 0.8787240475220458
Energy: 0.890319571853563
Energy: 0.933561801667311
Energy: 0.8467876441422435
Energy: 0.8470160444613742
Energy: 0.8797655198158107
Energy: 0.9114734683678014
Energy: 0.9011816470928214
Energy: 0.8597484643438652
Energy: 0.8595927003911745
Energy: 0.8423756081957029
Energy: 0.8975356479691863
Energy: 0.8308145467953421
Energy: 0.8313719895012508
Energy: 0.8502513761247255
Energy: 0.8579744287655079
Energy: 0.8932218516043586
Energy: 0.8382353194168196
Energy: 0.8508526078019837
Energy: 0.8486279992564125
Energy: 1.0040077906186455
Energy: 0.9902875688987159
Energy: 0.866494371885675
Energy: 0.9722789672294586
Energy: 0.881308902220207
Energy: 0.9822365873839453
Energy: 0.9823088699361695
Energy: 0.8567834329434747
Energy: 0.9712891416546118
Energy: 0.8304129909866745
Energy: 0.8413528454626497
Energy: 0.8827484325599226
Energy: 0.8881560796143139
Energy: 0.8609580023392948
Energy: 0.8937518111120109
Energy: 0.844343968937766
Energy: 0.874836758580743
Energy: 0.9060577809500686
Energy: 0.8803218726025243
Energy: 0.9287671933671816
Energy: 0.8633349397363188
Energy: 0.964629442364582
Energy: 1.0224319297992757
Energy: 0.940175858937164
Energy: 0.8460975987760685
Energy: 0.9533057145377056
Energy: 0.9651652904795366
Energy: 1.0223575378969343
Energy: 0.9237644836847209
Energy: 0.8431847823261723
Energy: 0.841151852495802
Energy: 0.8577476847166204
Energy: 0.8594745232104224
Energy: 0.8418487965169261
Energy: 0.8471306066024396
Energy: 0.8415443439129445
Energy: 0.8795398851222365
Energy: 0.8484553285448053
Energy: 0.8411006128554762
Energy: 0.848014105171368
Energy: 0.8513754554168664
Energy: 0.9042729288079036
Energy: 0.9135379935193461
Energy: 0.8427478243529414
Energy: 0.8446712669497431
Energy: 0.8523935667001915
Energy: 0.905826822175547
Energy: 0.8933909227379478
Energy: 0.8406877336964036
Energy: 0.8447646308142936
Energy: 0.9039384183324237
Energy: 0.838675316666403
Energy: 0.8708038756074657
Energy: 0.8951130181191012
Energy: 0.8896843435699101
Energy: 0.8996100756231361
Energy: 0.8378726789619872
Energy: 0.855983190374793
Energy: 0.8470033192055028
Energy: 0.9195543696219776
Energy: 0.8487177847192129
Energy: 0.8450290438800654
Energy: 0.8916891729628599
Energy: 1.0561914854176009
Energy: 0.8465171740516966
Energy: 0.8330137664209327
Energy: 0.8317680290574816
Energy: 0.9120874550366276
Energy: 1.0564025023331678
Energy: 0.8480023985625829
Energy: 0.8523919136243672
Energy: 0.8440553216040796
Energy: 0.8548867478991209
Energy: 0.8423929007505863
Energy: 0.8332977042485471
Energy: 0.8658275998895426
Energy: 0.8653708099089263
Energy: 0.838663360467704
Energy: 0.8424335876439896
Energy: 0.8447835517767168
Energy: 0.8481833652938954
Energy: 0.8370554231493393
Energy: 0.8690623707976167
Energy: 0.9965766028685971
Energy: 0.9224240025423258
Energy: 0.8346614499630338
Energy: 0.8378749409490246
Energy: 0.8699171287217016
Energy: 0.9167176810220735
Energy: 0.9286327766220641
Energy: 0.8370957441388415
Energy: 0.9811196039123006
Energy: 0.8938225043721262
Energy: 0.8993458377705689
Energy: 0.8253374793602699
Energy: 0.8461329253918041
Energy: 0.9383975992352788
Energy: 0.8412883648488721
Energy: 0.8858671057827998
Energy: 0.8303913516460143

minimum gb energy = 0.8253374793602699 eV
minimum distance =  2.29554225274958 Angstroms
sigma value = 437


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

Energy: 1.2233487924829471
Energy: 0.8550276371803502
Energy: 0.8770572748258747
Energy: 0.8573921255656063
Energy: 0.9450163499553327
Energy: 1.2226878983513632
Energy: 0.8027479267125711
Energy: 0.9026611652603622
Energy: 0.7603344028300129
Energy: 0.8981398290179915
Energy: 0.7546413660844379
Energy: 0.814644354944168
Energy: 0.7593435686925398
Energy: 0.9438776513105712
Energy: 0.7884586422459976
Energy: 0.7606346507493654
Energy: 0.8169291259541254
Energy: 0.7584357011637539
Energy: 0.880809559063163
Energy: 0.7876274180564931
Energy: 0.8562039402131574
Energy: 0.8680287677374378
Energy: 0.7865779245170059
Energy: 0.7863495448832998
Energy: 0.7612340440335064
Energy: 0.8556312788771219
Energy: 0.8691457243259552
Energy: 0.7874916114627559
Energy: 0.7876886709794371
Energy: 0.8551036908249259
Energy: 0.7883782762716687
Energy: 0.79213366281061
Energy: 0.9072772258258104
Energy: 0.8549256750269596
Energy: 0.7612995523886592
Energy: 0.7894501103496352
Energy: 0.7865872987474777
Energy: 0.8805306900152718
Energy: 0.8556630742482737
Energy: 0.7616091163456699
Energy: 0.7779175523446689
Energy: 0.801108867637748
Energy: 0.7861199091992407
Energy: 0.7865550622254844
Energy: 0.760529834150295
Energy: 0.7772442984559534
Energy: 0.8830575717051191
Energy: 0.7865809148143749
Energy: 0.787399951367928
Energy: 0.7626856459724477
Energy: 0.8068186528298676
Energy: 0.7884861333105705
Energy: 0.7576848630721401
Energy: 0.7767942781026895
Energy: 0.8139137033604666
Energy: 0.8070686074300689
Energy: 0.7874802696902717
Energy: 0.7577772571097755
Energy: 0.7806920724508157
Energy: 0.8132509776204678
Energy: 0.8740605387154232
Energy: 0.8521999363177044
Energy: 0.8506038746405451
Energy: 0.7860908429381673
Energy: 0.7866259775693617
Energy: 0.873822857735877
Energy: 0.7612192695408081
Energy: 0.8536396605459204
Energy: 0.7876313889261741
Energy: 0.7868094246845808
Energy: 0.8667352787884801
Energy: 0.7599103693950346
Energy: 0.7879377127349357
Energy: 0.7839757842809516
Energy: 0.8801189244992184
Energy: 0.8667932850730348
Energy: 0.757697839904402
Energy: 0.7880781955589745
Energy: 0.7746580857179396
Energy: 0.880338700727848
Energy: 0.7876992138177756
Energy: 0.7839790716044206
Energy: 0.8014910424185124
Energy: 0.7914976904519254
Energy: 0.7883141803673449
Energy: 0.7867080217363037
Energy: 0.8794286733386693
Energy: 0.799664412269524
Energy: 0.8492040749130798
Energy: 0.7869463537026199
Energy: 0.8056700364375231
Energy: 0.784326192242829
Energy: 0.7611265276114325
Energy: 0.7589001734523991
Energy: 0.8007415833681779
Energy: 0.8590894159141235
Energy: 0.7841794443824144
Energy: 0.761467627005127
Energy: 0.9093935082150645
Energy: 0.8008816793111506
Energy: 0.7620133475687886
Energy: 0.7586599231369481
Energy: 0.8041480404275495
Energy: 0.8130827456996461
Energy: 0.7656964269422781
Energy: 0.759747568659492
Energy: 0.7579963952345653
Energy: 0.8086622965388865
Energy: 0.8135458460978774
Energy: 0.7891098781498449
Energy: 0.7614301478051304
Energy: 0.7573261378224008
Energy: 0.7582457079436703
Energy: 0.8835814155976792
Energy: 0.760647479843227
Energy: 0.7601556334685904
Energy: 0.7577839635066197
Energy: 0.7580356507327861
Energy: 0.8846587058579338
Energy: 0.7596168652093007
Energy: 0.761616330479974
Energy: 0.7624738326993155
Energy: 0.7798521756625727
Energy: 0.8798779020634115
Energy: 0.8079464309042225
Energy: 0.7621572886655336
Energy: 0.7637954057370868
Energy: 0.7846785767547871
Energy: 0.8786907363405777
Energy: 0.7609582274861324
Energy: 0.7577281072147427
Energy: 0.8064250055361079
Energy: 0.9007276654670886
Energy: 0.7867105280850085
Energy: 0.7676971331016177
Energy: 0.7594278002276407
Energy: 0.8049297227658759
Energy: 0.9370524797844614
Energy: 0.7871170836680053
Energy: 0.8054991949165154

minimum gb energy = 0.7546413660844379 eV
minimum distance =  2.37529663550784 Angstroms
sigma value = 33