Model name: model_name=MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_001
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=3.6133156493306164
cohesive_energy=3.54027843892012
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=[1.91030724425088e-19, 2.5288755991056e-19, 2.99259358228422e-19, 3.36904100420886e-19, 3.6864161736379197e-19, 3.9597955726973396e-19, 4.19835967349994e-19, 4.4082287907876e-19, 4.593760845004799e-19, 4.758192232952219e-19, 4.90397428487988e-19, 5.033077678047599e-19, 5.1471045890893795e-19, 5.24735278107876e-19, 5.33491173412686e-19, 5.410710710681399e-19, 5.475550799059379e-19, 5.53012093521342e-19, 5.57504596803078e-19, 5.610854615800679e-19, 5.638011509746979e-19, 5.65694923756086e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.6677799516067e-19, 5.655042647366399e-19, 5.63182710793974e-19, 5.59617867783324e-19, 5.54571011386224e-19, 5.47753749808554e-19, 5.388184107207359e-19, 5.273404173147599e-19, 5.12797460007942e-19, 4.945454637934139e-19, 4.717801360009079e-19, 4.4349851405754e-19, 4.0842846971591395e-19, 3.6495180457568995e-19, 3.1097928030613195e-19, 2.43793605335976e-19, 1.5981119118795419e-19, 5.42423308147236e-20, -7.94106031229028e-20, -2.50130213923446e-19, -4.70544857816094e-19, -7.588629518109299e-19, -1.1419770307096438e-18, -1.6608483423370797e-18, -2.38014554217138e-18, -3.40648387214544e-18, -4.925090972915999e-18, -7.279890080737499e-18, -1.1166866725419539e-17, -1.81677217235796e-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: 0.015463000142592102
Energy: 0.02013959431744671
Energy: 0.11046305398097032
Energy: 0.11054338635651606
Energy: 0.019286747749650817
Energy: 0.016707725218175082
Energy: 0.10975123680881992
Energy: 0.10914397796911866
Energy: 0.11004594768025873
Energy: 0.018492140477380795
Energy: 0.015746007191839592
Energy: 0.10924860207694699
Energy: 0.10993475389911252
Energy: 0.7251850541412772
Energy: 0.11128431513113886
Energy: 0.10959248127873765
Energy: 0.10938424020088554
Energy: 0.10944209512393582
Energy: 0.723246726520747
Energy: 0.11105364039509885
Energy: 0.11162966487605615
Energy: 0.016246372172551444
Energy: 0.015836028176797797
Energy: 0.10935353136245483
Energy: 0.7241835958639152
Energy: 0.11106688275136409
Energy: 0.01860708207888027
Energy: 0.01575726791359461
Energy: 0.1091784654540488
Energy: 0.7286953137221227
Energy: 0.7325368191719206
Energy: 0.01696075723769887
Energy: 0.016860552954915665
Energy: 0.10902327335036961
Energy: 0.10932073320564308
Energy: 0.10921759955533977
Energy: 0.016580035548207483
Energy: 0.015990489692510285
Energy: 0.10880592546286663
Energy: 0.10955590185638207
Energy: 0.7353078351050446
Energy: 0.10992184526737729
Energy: 0.1121828889615185
Energy: 0.017193227355808915
Energy: 0.01649176717496021
Energy: 0.728560290242986
Energy: 0.1116440599057598
Energy: 0.11162400801252574
Energy: 0.01800908993815679
Energy: 0.10886413750154807
Energy: 0.11216741717459075
Energy: 0.7227365195579472
Energy: 0.11037519351302613
Energy: 0.01655628001073397
Energy: 0.0156821661596772
Energy: 0.11095520183394726
Energy: 0.7205901579143472
Energy: 0.11077471513952858
Energy: 0.017111116682338653
Energy: 0.015715976384431535
Energy: 0.01576304345939076
Energy: 0.11204370879351205
Energy: 0.7258207682441937
Energy: 0.11092355831892649
Energy: 0.11226170795988383
Energy: 0.0157293506760893
Energy: 0.11282930307219052
Energy: 0.7308613158913866
Energy: 0.11029321614597853
Energy: 0.1128026265668363

minimum gb energy = 0.015463000142592102 eV
minimum distance =  2.51970571251344 Angstroms
sigma value = 3


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

Energy: 1.1501514467801344
Energy: 1.1220765644112007
Energy: 0.9784982017172258
Energy: 0.9817531135203252
Energy: 1.1297927894730262
Energy: 1.1142132013362454
Energy: 1.0567399483274906
Energy: 0.9772089584441825
Energy: 0.975948005746482
Energy: 1.1202102258514526
Energy: 1.0294105688967665
Energy: 1.3380853561950168
Energy: 0.988150186584733
Energy: 0.8684164595789187
Energy: 0.9674613298640111
Energy: 1.277109477854085
Energy: 1.0785455959404515
Energy: 0.9868243124146812
Energy: 0.8718440362461085
Energy: 1.0359403013914057
Energy: 0.9805950085715027
Energy: 1.390732447475455
Energy: 1.446723639695105
Energy: 1.017050237645457
Energy: 0.9820946078784318
Energy: 0.9110547291246988
Energy: 1.380425435875889
Energy: 1.4388976846258787
Energy: 1.0281577949774585
Energy: 0.9674896084225234
Energy: 1.0131448045323483
Energy: 0.8691524613450615
Energy: 1.3957967430592813
Energy: 1.1222160432813295
Energy: 0.9756688528960759
Energy: 0.9222974247570502
Energy: 0.8673352940640066
Energy: 1.3961258684678854
Energy: 1.1609673541962577
Energy: 0.9613844514969759
Energy: 1.2701607217529676
Energy: 1.169976637585265
Energy: 1.1190887208857216
Energy: 1.3483330483670009
Energy: 1.1604669892545545
Energy: 1.3122726742801503
Energy: 1.074053332871039
Energy: 1.181301528709223
Energy: 1.3530969819301177
Energy: 1.1653404832474024
Energy: 1.1107771464889131
Energy: 1.1541744516942116
Energy: 1.1315042466032772
Energy: 1.1701960885405323
Energy: 1.3151624188488107
Energy: 1.1532231667902009
Energy: 1.1569174942026603
Energy: 1.1292178978706453
Energy: 1.3418953061507777
Energy: 1.3141663586131338
Energy: 1.0177420148779708
Energy: 1.2363235672038082
Energy: 1.3820449398478796
Energy: 1.1634227560930666
Energy: 1.108993438728541
Energy: 1.0191714212888157
Energy: 1.0996661640404468
Energy: 1.428300543575614
Energy: 1.0967159270124636
Energy: 1.0363712363230235
Energy: 1.0099569067686454
Energy: 1.0422957790066805
Energy: 1.236148676817313
Energy: 1.1761641827253493
Energy: 1.0349288900202354
Energy: 1.0120876180466412
Energy: 1.036142483576243
Energy: 1.0845284689251158
Energy: 1.178177804029871
Energy: 1.0193800531769859
Energy: 1.0221869671645285
Energy: 0.9732235716049674
Energy: 1.1598760284653005
Energy: 1.3925700152708835
Energy: 1.0506365611401927
Energy: 1.0217338188741412
Energy: 0.9803144254697174
Energy: 1.142278448719381
Energy: 1.3927810060523746
Energy: 1.2016790603221421
Energy: 1.1524907218564253
Energy: 1.016814169671468
Energy: 0.8975081451478056
Energy: 0.9514729065045786
Energy: 1.3710350345696474
Energy: 0.9968368577683276
Energy: 1.0141546214870314
Energy: 0.8933482923678837
Energy: 0.9496126427209608
Energy: 1.4429789876812114
Energy: 1.2130342900384257
Energy: 0.946720086709203
Energy: 1.002590715645681
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Energy: 1.3996652729711054
Energy: 1.4224274551343008
Energy: 0.9333200939648902
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Energy: 1.0148942858749295
Energy: 1.3051948311241515
Energy: 1.0290156641273993
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Energy: 1.2990145817743957
Energy: 0.9802945978762754
Energy: 1.305654445334613
Energy: 1.0275299827104936
Energy: 1.253240862667292
Energy: 1.1258740401908685
Energy: 1.3427792776415433
Energy: 1.1600313039445531
Energy: 1.1568588589709026
Energy: 1.1726350874672236
Energy: 1.1249031084345054
Energy: 1.3060821197984138
Energy: 1.1556698663824858
Energy: 1.1537624356678269
Energy: 1.1119377355950202
Energy: 1.03503253263953
Energy: 1.1565628267001338
Energy: 1.067259709480363
Energy: 1.221717090096578
Energy: 1.3870678821505655
Energy: 1.0385951170651553
Energy: 1.2477269811921414
Energy: 1.038115530508601
Energy: 1.2231239618489602
Energy: 1.3715705298481335
Energy: 1.0430932897585994
Energy: 1.1279334639924725
Energy: 1.031194447647924
Energy: 1.032027672226863
Energy: 1.179572718640402
Energy: 1.0443153408640355
Energy: 1.1301301056186663
Energy: 1.0335609220720654
Energy: 1.033153515727242
Energy: 1.169786182436224
Energy: 1.4729145498105876
Energy: 1.3310671213136074
Energy: 1.1632722455691316
Energy: 0.9296647494377607
Energy: 0.8703460200282536
Energy: 1.4721514107312723
Energy: 1.3349062626667052
Energy: 1.0324915882805847
Energy: 0.9416605179312137
Energy: 0.8625853298072486
Energy: 0.9361550840348754
Energy: 1.3904824620306089
Energy: 1.045893354935865
Energy: 0.9772908933798324
Energy: 1.0085208219525714
Energy: 0.9420028730727181
Energy: 1.393255654527301
Energy: 1.0457752952134136
Energy: 0.9731048208956177
Energy: 1.0037177011707072
Energy: 0.9486221238309079
Energy: 1.2461111860073542
Energy: 1.3960302947721654
Energy: 0.9514395877958036
Energy: 0.8458452366944182
Energy: 0.9474053539487395
Energy: 1.2712957001580374
Energy: 1.3958657354575685
Energy: 0.9385453430560208
Energy: 0.8453570311326042
Energy: 1.1440902371202504
Energy: 1.1917122332371244
Energy: 1.0857113622481682
Energy: 1.3485279505635952
Energy: 1.1795011092247745
Energy: 1.131090441931247
Energy: 1.1804831719097595
Energy: 1.2592959483146973
Energy: 1.3508977826434947
Energy: 1.2236439003481334
Energy: 1.1441518220249352
Energy: 1.1531069997538186
Energy: 1.1846248467840388
Energy: 1.2340270010254972
Energy: 1.2727010755483656
Energy: 1.1566842042377634
Energy: 1.1561277409282207
Energy: 1.1354362160539333
Energy: 0.9774259630692012
Energy: 1.2560427030843566
Energy: 1.1263706291765638
Energy: 1.0743087431790954
Energy: 1.201105162869823
Energy: 1.1269951465639314
Energy: 1.1165049126508721
Energy: 1.1300096136151567
Energy: 1.055737846521193
Energy: 1.1350094705611566
Energy: 1.0925882077368712
Energy: 1.1506405381662308
Energy: 1.010136195076018
Energy: 1.0415667269120188
Energy: 1.4272210713275548
Energy: 1.2021047327468954
Energy: 1.0400320522687878
Energy: 1.0116430882205603
Energy: 1.0417728017971517
Energy: 1.3602579516193845
Energy: 1.2014880655094224
Energy: 1.0168048525189446
Energy: 1.0153772806332193
Energy: 0.9185525432254807
Energy: 1.1445935302901273
Energy: 1.3939220883022572
Energy: 1.0331715084097122
Energy: 1.016314806055142
Energy: 0.9706389938816534
Energy: 1.14428454896549
Energy: 1.3942403138855304
Energy: 1.0697802977229893
Energy: 1.0258134143795858
Energy: 1.0234851095239474
Energy: 0.8981831559699591
Energy: 0.9341530150677574
Energy: 1.381758112424514
Energy: 0.9330007470964541
Energy: 1.020435076137786
Energy: 0.8988742975100843
Energy: 1.4432529012301982
Energy: 1.3704857500273886
Energy: 1.201671266525853
Energy: 0.9036775586950644
Energy: 1.0019620219928922
Energy: 1.0003774680104378
Energy: 1.3844064055545902
Energy: 1.4277518955812813
Energy: 0.9355400582638075
Energy: 0.9978778155639815
Energy: 1.0266778737892723
Energy: 1.3826092295142014
Energy: 1.326568275006016
Energy: 1.0375739696652047
Energy: 1.0738433112374517
Energy: 1.079762716040856
Energy: 1.059581474775892
Energy: 1.3563072680521
Energy: 0.9376097246011408
Energy: 1.004646821198184
Energy: 1.1269468101028794
Energy: 1.0965080395832787
Energy: 1.169191394447706
Energy: 0.9753132862545351
Energy: 1.1975460910591933
Energy: 1.1553586321965876
Energy: 1.169455450051931
Energy: 1.135942913152627
Energy: 1.3230036987274385
Energy: 1.1111819787931523
Energy: 1.1527571044067981
Energy: 1.1071818246919558
Energy: 1.1439544679144489
Energy: 1.1558885248131214
Energy: 0.9855221132614485
Energy: 1.0836075957514077
Energy: 1.209001687014036
Energy: 1.0701739716400895
Energy: 1.3754220346343637
Energy: 0.9877643119672112
Energy: 1.0838178334132487
Energy: 1.220832265932525
Energy: 1.1547431540220168
Energy: 1.0678537424656565
Energy: 0.9826673438361031
Energy: 0.9766733009632272
Energy: 1.090523661427044
Energy: 1.1184816302230145
Energy: 1.0613501500557532
Energy: 0.9856254437074057
Energy: 0.9760211833896925
Energy: 1.0983112394340742

minimum gb energy = 0.8453570311326042 eV
minimum distance =  2.28129456043233 Angstroms
sigma value = 75


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

Energy: 1.5176658226136028
Energy: 1.2448461338547776
Energy: 1.0201190025807156
Energy: 1.2270725756784957
Energy: 1.2475532978182486
Energy: 1.428136965565309
Energy: 1.1830963348548036
Energy: 1.2281256240056373
Energy: 1.226676271096793
Energy: 1.275322820169299
Energy: 1.2611099543201683
Energy: 1.132387628358162
Energy: 1.0148780797336063
Energy: 1.0314124950415802
Energy: 1.041151011470048
Energy: 1.2663357121957355
Energy: 1.0890161065461115
Energy: 1.0446719071488133
Energy: 1.0603965736410463
Energy: 1.0669363250251385
Energy: 1.119462987435283
Energy: 1.168694561713987
Energy: 1.1682102632338531
Energy: 1.0734604033373658
Energy: 1.0051136860763004
Energy: 1.1036124490356103
Energy: 1.1685417927942756
Energy: 1.1680801121971576
Energy: 1.0770957822634584
Energy: 1.000967190232882
Energy: 1.0143219876288077
Energy: 1.26853724945708
Energy: 1.1448705561396249
Energy: 1.3002841968184868
Energy: 0.9871790186560027
Energy: 0.9702571556739932
Energy: 1.211663969630941
Energy: 1.0884172809875716
Energy: 1.1011389785342978
Energy: 0.9872313776498839
Energy: 1.070915848605109
Energy: 1.35504227987335
Energy: 1.2589424851635058
Energy: 1.274005212229842
Energy: 1.0327133042220749
Energy: 1.0702330976577363
Energy: 1.1616404372608766
Energy: 1.2553783218457297
Energy: 1.2236314298501063
Energy: 1.1802092472705272
Energy: 1.0414009488886753
Energy: 1.3644088772017142
Energy: 1.3020719227725182
Energy: 1.2674436207227515
Energy: 1.204521696149157
Energy: 1.172286956447492
Energy: 1.3445295826768449
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Energy: 1.2452003549061343
Energy: 1.2185128525426465
Energy: 1.0332737549837223
Energy: 1.3535590251306413
Energy: 1.0471727105670017
Energy: 1.2789616055139565
Energy: 1.0837870345239253
Energy: 1.025387904355635
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Energy: 1.0130885190644632
Energy: 1.294849323809443
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Energy: 1.0005202791603673
Energy: 1.086486781354752
Energy: 1.1682289972416222
Energy: 1.1681001927472843
Energy: 1.0526080479171351
Energy: 0.9995673407555543
Energy: 1.0799724039703118
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Energy: 1.1681245736499408
Energy: 1.0954716071885153
Energy: 0.9882252759877903
Energy: 1.0201800073138438
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Energy: 1.0091658787156303
Energy: 1.290262667252166
Energy: 0.9878153220379111
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Energy: 1.0279721361327923
Energy: 1.003409770004329
Energy: 1.1262428846438395
Energy: 1.0771927942361876
Energy: 1.227027419994542
Energy: 0.9692272217287019
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Energy: 1.225956109226477
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Energy: 0.9680889207835555
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Energy: 0.9695721032725345
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Energy: 1.3363129374246854
Energy: 1.2403101271809915
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Energy: 0.9683420882534594
Energy: 1.3375850365690896
Energy: 1.092144907242893
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Energy: 1.0986710432612743
Energy: 1.0384226422172445
Energy: 1.2561298778082242
Energy: 1.0720941757917812
Energy: 1.0919687037616783
Energy: 1.0924729311869132
Energy: 1.0267229670315392
Energy: 1.2969588830908547
Energy: 1.2570974127504
Energy: 1.0937351830848054
Energy: 0.977597222822483
Energy: 0.9867148654829986
Energy: 1.1156452769869034
Energy: 1.1688977428448226
Energy: 1.1223348123076566
Energy: 1.010635869629725
Energy: 0.9867376411800154
Energy: 1.118313599786879
Energy: 1.1700718048014997
Energy: 1.1188463766215007
Energy: 1.2959277761353731
Energy: 1.016805279645663
Energy: 0.9981027135351112
Energy: 0.9935590372698148
Energy: 1.1689456781175662
Energy: 1.3020590504573475
Energy: 1.040241834382422
Energy: 1.0197038555759999
Energy: 1.011312080067259
Energy: 1.1848808630004177
Energy: 1.2249838206620527
Energy: 1.3180530979547351
Energy: 1.4078202741795653
Energy: 0.9492919157683518
Energy: 1.2745786674411943
Energy: 1.2163090333914055
Energy: 1.2864643072537358
Energy: 1.386214154925247
Energy: 1.011542478448407
Energy: 1.27223863877285
Energy: 1.2393604494747432
Energy: 1.1537869226735369
Energy: 0.9477641927052629
Energy: 1.407910358960343
Energy: 1.0911903656012316
Energy: 1.2435180019427652
Energy: 1.0592564425407403
Energy: 0.9720900645986498
Energy: 1.2872687745936215
Energy: 1.0654258140875816
Energy: 1.0946763173358325
Energy: 1.08648630964651
Energy: 0.9940891461149274
Energy: 1.2523034124136991
Energy: 1.1697851988604628
Energy: 1.0896289343599
Energy: 1.098938186869629
Energy: 1.0358967904219092
Energy: 1.2738079446656578
Energy: 1.1692646331066872
Energy: 1.0018940926092972
Energy: 0.9875153931221051
Energy: 0.9870436142757963
Energy: 1.0928514270637641
Energy: 1.1686458914306583
Energy: 1.1130501795857435
Energy: 0.9870579202890097
Energy: 0.9871178005892743
Energy: 1.1004163349544203
Energy: 1.1705968966403966
Energy: 1.1633119111413324
Energy: 1.2603670959423297
Energy: 1.1096658917912559
Energy: 1.072313890863528
Energy: 1.065874654356511
Energy: 1.1551052437341993
Energy: 1.0687055363601285
Energy: 1.1298516475228138
Energy: 1.3271981332027076
Energy: 0.9623568019942255
Energy: 1.210358207170995
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minimum gb energy = 0.9477641927052629 eV
minimum distance =  2.25274237111581 Angstroms
sigma value = 105


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

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Energy: 1.0143049576500098
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Energy: 0.9859624022118586
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Energy: 0.9607046849280176
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Energy: 0.9885006563409522
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Energy: 1.0484091232852757
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Energy: 1.1641261267057816
Energy: 1.033866020745954
Energy: 1.2152742386119855
Energy: 1.0382342927567092
Energy: 1.134877503046089
Energy: 1.1918026272752773
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Energy: 1.191100656369234
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Energy: 1.0798754181577648
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Energy: 1.260783041277712
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Energy: 1.0359915631611025
Energy: 1.0436530127092494
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Energy: 1.3678036695564932
Energy: 1.110383409445177
Energy: 1.0653581859322552
Energy: 1.022109075562561
Energy: 1.2210015884956793
Energy: 1.3684927414245713
Energy: 1.112884484478212
Energy: 1.0498586571930613
Energy: 1.0204904479106895
Energy: 1.180478714454616
Energy: 1.1944906801129036
Energy: 1.1702384197085185
Energy: 1.1203574619973575
Energy: 1.1766215162791942
Energy: 1.040249488171083
Energy: 1.1124374269630763
Energy: 1.1656372551299492
Energy: 1.0828909487264193
Energy: 1.1672451672165758
Energy: 1.1643440950838464
Energy: 1.0303150337259832
Energy: 1.0474097080397506
Energy: 1.0486656096304356
Energy: 1.2092020011955975
Energy: 1.4580269885668282
Energy: 1.0284571890678404
Energy: 1.0508097328597168
Energy: 1.050207982259254
Energy: 1.1577784509644542
Energy: 1.4576552941858005
Energy: 1.1342532232059652
Energy: 1.078387323194551
Energy: 1.068996413799382
Energy: 1.028141795427581
Energy: 1.370845213320021
Energy: 1.237433282165092
Energy: 1.0801247084612233
Energy: 1.0464950656745806
Energy: 1.0270867798842553
Energy: 1.4983914363185271
Energy: 1.1283871026683268
Energy: 1.206217487485696
Energy: 1.044152192208074
Energy: 1.127381336744469
Energy: 1.0665902885172633
Energy: 1.1264669066803692
Energy: 1.0378817225305463
Energy: 1.0476062276993547
Energy: 1.182419184185598
Energy: 1.1214474029530288
Energy: 1.063424017847634
Energy: 1.3725293623499497
Energy: 1.17761572476975
Energy: 1.1063486165093752
Energy: 1.1393697966224348
Energy: 1.3061924180515476
Energy: 1.3728038766407031
Energy: 1.2140318099879952
Energy: 1.1064429531047504
Energy: 1.1359179545422313
Energy: 1.1150562446717531
Energy: 1.26820337633317
Energy: 1.0985520345927953
Energy: 1.022935093757425
Energy: 1.205987755335662
Energy: 1.0918662635013727
Energy: 1.1012776541137534
Energy: 1.037841380657981
Energy: 1.1797089898653867
Energy: 1.180653342389834
Energy: 1.5061828454405009
Energy: 1.0050292642123562
Energy: 0.9746092647113471
Energy: 0.9756628818666898
Energy: 1.2778930727032924
Energy: 1.4862465760560095
Energy: 1.0040061413232508
Energy: 0.9637884504343214
Energy: 0.9649033136836869
Energy: 1.1820752658859888

minimum gb energy = 0.9607046849280176 eV
minimum distance =  2.25195528909156 Angstroms
sigma value = 165


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

Energy: 1.0678327739449545
Energy: 1.0007427882169988
Energy: 0.9933568473853445
Energy: 0.9745075318773828
Energy: 1.0001875929709507
Energy: 1.0690432003342472
Energy: 0.9486862574618855
Energy: 0.992731883018393
Energy: 0.9753230927961652
Energy: 1.0010648872469439
Energy: 1.1082373450843335
Energy: 1.073262025168895
Energy: 0.9950755674057454
Energy: 0.9499039607092737
Energy: 1.01014535963083
Energy: 1.1015043924188397
Energy: 1.07335509394747
Energy: 0.9948038853179993
Energy: 0.9501973300729543
Energy: 0.9956983406914118
Energy: 0.9560449576956991
Energy: 1.161659791359967
Energy: 0.9751842954097465
Energy: 0.9896525659239694
Energy: 1.107854829580389
Energy: 0.9559241391439132
Energy: 1.1629788360871174
Energy: 0.9875822700187892
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Energy: 1.1078322469645663
Energy: 1.0734619557778347
Energy: 0.9504096745679492
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Energy: 1.0098554138036362
Energy: 1.0744591995738066
Energy: 0.988323295258308
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Energy: 1.0567112452553933
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Energy: 1.3729335309083013
Energy: 1.0426654300731006
Energy: 0.8786975741555875
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Energy: 0.9504110995019204
Energy: 0.9789352291520926
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Energy: 1.0123730257612975
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Energy: 0.979477301306431
Energy: 0.8825104357743853
Energy: 1.1079359358042014
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Energy: 0.9962073652009001
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Energy: 0.9499123155923521
Energy: 1.1090598665181552
Energy: 1.0125240058155263
Energy: 0.9957544945732295
Energy: 0.9487448989618326
Energy: 1.0034125425472598
Energy: 1.090963509552744
Energy: 1.0739163070754063
Energy: 0.998914276339517
Energy: 0.9878777786348711
Energy: 1.0440272296429562
Energy: 1.0938760919709078
Energy: 1.0740368965218132
Energy: 0.9587490886506251
Energy: 0.9881682910222063
Energy: 0.9951802020189708
Energy: 1.1997926911384902
Energy: 0.954658509358801
Energy: 1.014756720326969
Energy: 1.1874286246785295
Energy: 1.0726402208705839
Energy: 0.9878033903543849
Energy: 0.986906555498662
Energy: 1.073667176231579
Energy: 1.1881252881490885
Energy: 1.0727250460718083
Energy: 1.0569297235225485
Energy: 0.9958728905236033
Energy: 0.9879924653325225
Energy: 0.9548488748028976
Energy: 1.1112023988071926
Energy: 1.0627548720532853
Energy: 1.1287312350177525
Energy: 0.98814854456027
Energy: 0.9546842808538935
Energy: 1.1102034860160086
Energy: 1.0751114939293278
Energy: 1.3693214544483385
Energy: 0.9489673750023754
Energy: 0.9625952349555197
Energy: 0.8986679011821418
Energy: 1.118135869740748
Energy: 1.3693547006929139
Energy: 0.9483488918554897
Energy: 0.9628223346444129
Energy: 1.0527714929566108
Energy: 0.9493319212966423
Energy: 1.131325670447289
Energy: 1.0107038487822766
Energy: 0.8782931758267649
Energy: 1.0436434308249904
Energy: 0.9493827411601903
Energy: 1.142375043385138
Energy: 1.0444938156306927
Energy: 0.8824791454597436
Energy: 1.0425043467991957
Energy: 1.1078160611026524
Energy: 0.9498973358407821
Energy: 0.9808661108819293
Energy: 0.9748212978375052
Energy: 1.007312838119003
Energy: 1.108032247892421
Energy: 0.9500198925511975
Energy: 0.980512274664099
Energy: 0.9736244091562269
Energy: 1.007362947653517

minimum gb energy = 0.8782931758267649 eV
minimum distance =  2.29381608787683 Angstroms
sigma value = 41


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

Energy: 1.6146348627535796
Energy: 0.8772057044918558
Energy: 0.8727345191348815
Energy: 0.8124544585828775
Energy: 0.835178631822035
Energy: 1.5531603321196379
Energy: 0.8611390438111839
Energy: 0.8392531692000824
Energy: 0.8481552659311724
Energy: 0.9661154491722586
Energy: 1.0593049003208193
Energy: 0.8858858058712181
Energy: 0.8563902282259542
Energy: 0.8305625134230515
Energy: 0.8236438508495314
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Energy: 0.8701928630275566
Energy: 0.898836183114951
Energy: 0.8764024545041031
Energy: 0.9739976953935963
Energy: 1.0568138606426976
Energy: 0.9007021785150608
Energy: 1.0796318005118708
Energy: 0.8803828905620407
Energy: 0.93521454653684
Energy: 1.092834554240755
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Energy: 0.9604487266964393
Energy: 1.1618034930568892
Energy: 0.903876296306014
Energy: 0.868418202574514
Energy: 0.8720411871373245
Energy: 1.2709407050947645
Energy: 1.1577317748118743
Energy: 0.8813974542942489
Energy: 0.8710131430597488
Energy: 0.8611896799531589
Energy: 1.258910536781179
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Energy: 0.8834609560684276
Energy: 0.9002610641153143
Energy: 1.0498226921150224
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Energy: 0.8900254745325441
Energy: 0.8673664350494789
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Energy: 1.1272621319316145
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Energy: 1.0927172041146047
Energy: 1.05142641892763
Energy: 0.9256088356978036
Energy: 1.0056748060616638
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Energy: 0.8922553212707657
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Energy: 1.0064336377489367
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Energy: 0.8583603747634092
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Energy: 0.8982903340355423
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Energy: 0.8928868101067563
Energy: 0.8506004901424167
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Energy: 0.8467166326498756
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Energy: 0.9583789368691943
Energy: 0.8400394422842035
Energy: 0.8594728152352972
Energy: 0.8812713773820348
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Energy: 0.8716367362335776
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Energy: 0.8365210937850343
Energy: 0.8456399451684983
Energy: 0.854684117973622
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Energy: 1.177798132352792
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Energy: 1.5555074536881859
Energy: 1.1655974373284117
Energy: 0.954258539421867
Energy: 0.8543663505619723
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Energy: 0.8599319436890136
Energy: 0.9418775012303668
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Energy: 0.8600300008576309
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Energy: 0.883582501116267
Energy: 1.0790374523441801
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Energy: 0.9182772422705328
Energy: 0.8711103142981675
Energy: 0.9751752190756707
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Energy: 0.9650811507709525
Energy: 0.9172318274961154
Energy: 0.8702048353694568
Energy: 0.9782326957930292
Energy: 0.8739550415902579
Energy: 0.8643827813183327
Energy: 0.8892932413500398
Energy: 0.9261056577929303
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Energy: 0.8718847462911058
Energy: 0.9196332682884418
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Energy: 1.0070843787880688
Energy: 0.9456809165053303
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Energy: 0.895875422276227
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Energy: 0.8927303333971083
Energy: 1.115930424056369
Energy: 1.1128406692223842
Energy: 1.0295539472367976
Energy: 0.8555663783408592
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Energy: 1.154414983824388
Energy: 1.04929110593772
Energy: 1.0356129405659078
Energy: 0.9302735796979551
Energy: 1.0992872781182366
Energy: 0.8967329992755365
Energy: 0.8733338996022743
Energy: 0.919360681223647
Energy: 1.0478675042819787
Energy: 0.8747306140961744
Energy: 0.895891252071923
Energy: 0.8732015595967403
Energy: 0.9289346644796633
Energy: 1.0929094445865304
Energy: 0.8738279967526932
Energy: 0.8859242865442164
Energy: 0.9573266043452281
Energy: 1.0282296183967938
Energy: 1.4494235775162014
Energy: 0.8766074610011246
Energy: 0.8946876068179281
Energy: 0.9518216905522482
Energy: 1.0389187055019333
Energy: 1.4265354785435742
Energy: 0.8786412735240728
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Energy: 0.9299287101190357
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Energy: 0.8597353520829033
Energy: 0.8436375188546452
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Energy: 1.0389039448450623
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Energy: 0.8881945369045294
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Energy: 0.9391316475804012
Energy: 0.8945075894783289
Energy: 0.8600375385614272
Energy: 0.8409429380775945
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Energy: 0.870938776355819
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Energy: 1.1616591678472048
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Energy: 0.9101599696701054
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Energy: 0.9809812615068834
Energy: 0.9065334071964504
Energy: 1.0363409338637717
Energy: 1.0001719066407764
Energy: 0.9659962259847575
Energy: 0.8870540390670956
Energy: 0.8745032540840193
Energy: 0.873990600278806
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Energy: 0.9349138659952545
Energy: 1.1816370232800442
Energy: 0.8825275204109845
Energy: 0.8790348063157623
Energy: 0.9714885507657918
Energy: 1.1066083847659727
Energy: 1.2941421039522358
Energy: 0.8682270156565022
Energy: 0.8964245707930796
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Energy: 1.0982198463557313
Energy: 0.9481332422872717
Energy: 0.8950826437745705
Energy: 0.8922239160870528
Energy: 0.924314474826608
Energy: 0.8755806883490438
Energy: 1.0438779684292632
Energy: 0.9221926550208811
Energy: 0.9307907962910619
Energy: 0.9091516606102226
Energy: 0.8782368200670017
Energy: 0.9335970947142711
Energy: 0.9854325097823632
Energy: 0.930327039055796
Energy: 0.9101278887750315
Energy: 0.8566428557296453
Energy: 0.8512841957786574
Energy: 0.849112879109535
Energy: 0.8449381130177324
Energy: 0.9089470674113869
Energy: 0.8553877629194742
Energy: 0.8595814748726432
Energy: 0.8438795996964731
Energy: 0.8385509783034226
Energy: 0.9225404505226471
Energy: 1.4340180779581058
Energy: 0.826859867525976
Energy: 0.8106554803189172
Energy: 0.8996239757930653
Energy: 0.9284838192608956
Energy: 1.4369597350449583
Energy: 0.9171008744047027
Energy: 0.8485565335801735
Energy: 0.8884646759716734
Energy: 0.8376848258941071
Energy: 0.9139680453379729
Energy: 0.8774310436527184
Energy: 0.878363499212994
Energy: 0.8407966536502839
Energy: 0.9310452551119637
Energy: 0.878564990021877
Energy: 0.8271857623627259
Energy: 0.8649524872855748
Energy: 0.8467730278803581
Energy: 0.8734205851224879
Energy: 0.8511154544330817
Energy: 0.8711099843136341
Energy: 0.8751399706989508
Energy: 0.8816232716311465
Energy: 0.8554707817557428
Energy: 0.8234059771869173
Energy: 0.8407981463889448
Energy: 0.8382596853419167
Energy: 0.9238341076738752

minimum gb energy = 0.8106554803189172 eV
minimum distance =  2.33986358811506 Angstroms
sigma value = 185


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

Energy: 0.9024073225256715
Energy: 0.8206594579566091
Energy: 1.5059792867102169
Energy: 0.7081467938289654
Energy: 0.7257957085159754
Energy: 0.7255192120768238
Energy: 0.6555505249607496
Energy: 1.3599756060753345
Energy: 0.8531527860933926
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Energy: 0.7947244754962147
Energy: 0.7121488956752338
Energy: 1.495578054728614
Energy: 0.7295884210353657
Energy: 0.6071824033748845
Energy: 0.6225100971913363
Energy: 0.686175328183666
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Energy: 0.5875403546551485
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Energy: 0.654409578333414
Energy: 0.7475954032709294
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Energy: 0.6690799833073846
Energy: 0.7251290717961111
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Energy: 0.6740584381694683
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Energy: 0.6443535424507673
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Energy: 0.6081479672253353
Energy: 0.6271549396456694
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Energy: 0.5941760072641176
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Energy: 1.6277858214624663
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Energy: 0.6955158085702442
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Energy: 0.7618456216747937
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Energy: 0.611393554327933
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Energy: 0.5864894594314504
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Energy: 0.61797657909978
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Energy: 1.294023813389994
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Energy: 0.5947575744106401
Energy: 0.6104057179584953
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Energy: 1.489551982763306
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Energy: 1.5115069196380948
Energy: 0.655660226984397
Energy: 0.7284454899804865
Energy: 0.7287168018554943
Energy: 0.6269878279081724
Energy: 0.6551302726303098
Energy: 0.59913001223544
Energy: 0.6663305082721506
Energy: 0.6301001921894445
Energy: 0.6275865712511483
Energy: 0.6518228706175602
Energy: 0.6301291804578729
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Energy: 0.6250172933263167
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Energy: 0.6645492633889383
Energy: 0.6050184863992303
Energy: 0.6541339314815025
Energy: 0.612568813478427
Energy: 1.5196815614611654
Energy: 0.6686827907324556
Energy: 0.6363138220155057
Energy: 0.6469463005117112
Energy: 0.6128667362792177
Energy: 1.4508510938151882
Energy: 0.6061420266911689
Energy: 0.6936833695608824
Energy: 0.6934670188755586
Energy: 0.6582817826012721
Energy: 1.2234736979814649
Energy: 0.6053908388532585
Energy: 0.693734480911617
Energy: 0.6934863201043661
Energy: 0.6665316253935072
Energy: 1.3222283125786316
Energy: 0.6059980326803636
Energy: 0.6310394795390719
Energy: 0.6124652068061976
Energy: 0.6689144041411748
Energy: 0.6541827912542407
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Energy: 0.6050682468483666
Energy: 0.6766176640475652
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Energy: 0.6989153504736327
Energy: 0.6356618462167012
Energy: 1.3376514003814137
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Energy: 0.6950793057469516
Energy: 0.7036851907682588
Energy: 0.6430452329146321
Energy: 1.5934304655719556
Energy: 0.65067744980008
Energy: 0.6391137057121118
Energy: 0.6939700344066321
Energy: 0.6584018581228999
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Energy: 0.6128007606455275
Energy: 0.65595025511537
Energy: 0.6951315716630752
Energy: 0.6595067971849067
Energy: 1.3949499232125824
Energy: 0.6101466267376258
Energy: 0.6269557051629715
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Energy: 0.6431992691215335
Energy: 0.6382674348103743
Energy: 0.6081020098384192
Energy: 0.7295752087902594
Energy: 0.6394871930875433
Energy: 1.3223672404691889
Energy: 0.6875825014721721
Energy: 0.6582824262572469
Energy: 0.6583161802882262
Energy: 0.6492845868053306
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Energy: 0.6608752354650047
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Energy: 0.7069798377183641
Energy: 0.6623391884757953
Energy: 1.2908603005997021
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Energy: 0.6519225213054711
Energy: 0.6516799880358528
Energy: 1.5274476577712115
Energy: 0.6262571372962491
Energy: 0.6360759425454128
Energy: 0.6146162261799454
Energy: 0.6238271391112166
Energy: 1.3720528742064055
Energy: 0.6143957670309739
Energy: 0.6467098023172363
Energy: 0.6409820932599207
Energy: 0.6224112203242798
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Energy: 0.6063418759475607
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Energy: 0.6939853457112015
Energy: 0.7194398457760629
Energy: 0.6412771619425444
Energy: 0.6796576596271346
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Energy: 0.6950472179761152
Energy: 1.336683852758921
Energy: 0.6577420496563091
Energy: 0.6947855476573918
Energy: 0.6933443253837567
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Energy: 1.3514084695825648
Energy: 0.6087207345600151
Energy: 0.6444186647034692
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Energy: 0.6462501497815821
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Energy: 1.4992709224626841
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Energy: 0.6313488349133313
Energy: 1.456814434438073
Energy: 0.6399311315072344
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Energy: 0.6098722058440669
Energy: 0.642804881168195
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Energy: 0.7009155773403788
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Energy: 0.6933728985681761
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Energy: 0.5926264486459757
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Energy: 0.6324466611285409
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Energy: 0.6957610685204286
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Energy: 0.5947961352597666
Energy: 0.6610181886630009
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Energy: 0.6528142260646446
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Energy: 0.5994094528701939
Energy: 0.7162305584550084
Energy: 0.7281017994948087
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Energy: 0.6592467490560683
Energy: 0.5907645011747944
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Energy: 0.6021392210384233
Energy: 1.273913296111444
Energy: 0.5475601546498362
Energy: 0.5941774962917915
Energy: 0.6108980856695985
Energy: 0.6066259447910325
Energy: 1.2716087333878234
Energy: 0.5846921416618056
Energy: 0.7618668827418035
Energy: 0.7618201600884188
Energy: 0.6153630942264614
Energy: 1.5921270004414765
Energy: 0.611584816716478
Energy: 0.7274999768693827
Energy: 0.7276315639868353
Energy: 0.6007028856937745
Energy: 1.4476151552970848
Energy: 0.5502977992767752
Energy: 0.5855886529856749
Energy: 0.7148542448422333
Energy: 0.6082030886120202
Energy: 0.7572583699114249
Energy: 0.7917411233107651
Energy: 0.6120474019527478
Energy: 0.6234126829757409
Energy: 0.6777710996801461
Energy: 0.5550062279345369
Energy: 0.6179380961522496
Energy: 0.6687476118001682
Energy: 0.5868198291941329
Energy: 1.607984288214781
Energy: 0.9066361069535417
Energy: 0.5880136042211372
Energy: 0.7350647687455458
Energy: 0.5946189039191412
Energy: 1.467044845008301
Energy: 0.7965787148709792
Energy: 0.7253089899770839
Energy: 0.7275942595265315
Energy: 0.6545684727861815
Energy: 1.282700728571556
Energy: 0.679190025063402
Energy: 0.7981924258767691
Energy: 0.7978571954268383
Energy: 0.7542969362910205
Energy: 1.3813955624633438
Energy: 0.630855554723101
Energy: 0.6338224253755131
Energy: 0.5926212332036858
Energy: 0.753761038400706
Energy: 1.2931260594684937
Energy: 0.6270990799835028
Energy: 0.6019664392683988
Energy: 0.6011068843548643
Energy: 0.6531686718115218
Energy: 0.8510220053434518
Energy: 0.7167672680863587
Energy: 0.8349111501619756
Energy: 0.6596074668728356
Energy: 1.5050313966566953
Energy: 0.5369398611230511
Energy: 0.8390801749270335
Energy: 0.70515152646854
Energy: 0.7932126818795305
Energy: 1.3547352468049352
Energy: 0.873247207949971
Energy: 0.9037642514277973

minimum gb energy = 0.5369398611230511 eV
minimum distance =  2.39865183949135 Angstroms
sigma value = 33


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

Energy: 1.3440893643281766
Energy: 0.7771161898412667
Energy: 0.7928573385025897
Energy: 0.7522653289966955
Energy: 0.7407834053056044
Energy: 1.3058020802837877
Energy: 0.7575635650229181
Energy: 0.801180802491241
Energy: 0.7971845197186801
Energy: 0.7754292563802756
Energy: 0.7494784202713074
Energy: 0.724444523747585
Energy: 0.7506869702084366
Energy: 0.7507240243917869
Energy: 0.7930454057291959
Energy: 0.7539065855850751
Energy: 0.7190738528279209
Energy: 0.7463121712326439
Energy: 0.7419450328311457
Energy: 0.7627663117243199
Energy: 0.7528586171881962
Energy: 0.7193898579971971
Energy: 0.724325150011794
Energy: 0.7690444067405301
Energy: 0.7463133566920963
Energy: 0.7471366548502564
Energy: 0.7143306213352396
Energy: 0.7150590786019395
Energy: 0.7445442859651659
Energy: 1.3451392167199465
Energy: 0.8650191039465993
Energy: 0.7844330776384969
Energy: 0.7814232112692528
Energy: 0.7851571287105573
Energy: 1.1672641978852463
Energy: 0.8651004368596875
Energy: 0.795246930030131
Energy: 0.7819901833610551
Energy: 0.7947341941439104
Energy: 1.4686887560446864
Energy: 0.7608026933003619
Energy: 0.7807843090004176
Energy: 0.7776575669401267
Energy: 0.768077528103243
Energy: 0.7981337375709903
Energy: 0.7618067361021003
Energy: 0.7849777352284397
Energy: 0.7672171201041288
Energy: 0.7776535543856444
Energy: 0.7896916340328801
Energy: 0.7605443657561614
Energy: 0.7574244021767743
Energy: 0.8425988751737354
Energy: 0.7457800845975099
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Energy: 0.7619096114656906
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Energy: 0.8766957708984944
Energy: 1.1684950299022312
Energy: 0.8496161520852749
Energy: 0.8635932261308311
Energy: 0.8950445262420713
Energy: 0.7886891597302191
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Energy: 0.7627368026041922
Energy: 0.8614937523529015
Energy: 0.8952532873253926
Energy: 0.7871579710857444
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Energy: 0.761888680659123
Energy: 0.758553348307416
Energy: 0.8947422014585333
Energy: 0.7656161663456658
Energy: 0.7589135131526008
Energy: 0.7577795748510141
Energy: 0.7997615914622734
Energy: 0.871964632209632
Energy: 0.7668016773989204
Energy: 0.7583448995061358
Energy: 0.757635120251949
Energy: 0.7595203960693288
Energy: 0.9148965878480338
Energy: 1.2363597367612542
Energy: 0.9144177356822587
Energy: 0.7583347110199719
Energy: 0.7626116400042517
Energy: 0.8902773578196773
Energy: 1.231970693405733
Energy: 0.7793506301138258
Energy: 0.7605423290007473
Energy: 0.8932208029625801
Energy: 0.785966771870239
Energy: 1.338662452168137
Energy: 0.7546278159949463
Energy: 0.7866305560867705
Energy: 1.1176376533260681
Energy: 0.7581283888209359
Energy: 0.7549452994203945
Energy: 0.7547786946961772
Energy: 0.7936699216000666
Energy: 0.8687641156309704
Energy: 0.8781733291212883
Energy: 0.7553195097940179
Energy: 0.7545174806060818
Energy: 0.7555756313836681
Energy: 0.8612211822638394
Energy: 0.7672867042261581
Energy: 0.7552753933234728
Energy: 0.7546606848870314
Energy: 0.7554661191545615
Energy: 0.770698161206888
Energy: 0.8625757858182954
Energy: 1.2462517964117614
Energy: 0.8692762897070663
Energy: 0.7469292045373115
Energy: 0.7551828534678156
Energy: 0.7811831397114096
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Energy: 0.7998454787033517
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Energy: 0.8523567312699709
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Energy: 1.5454510394262924
Energy: 0.7511506245950564
Energy: 0.8013031584595002
Energy: 0.7841117787579054
Energy: 0.9034214767055156

minimum gb energy = 0.7081645009693275 eV
minimum distance =  2.33562448677684 Angstroms
sigma value = 219


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

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Energy: 1.098943092937729
Energy: 1.0485623084258948
Energy: 1.0585502927187205
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Energy: 1.0990305643543254
Energy: 1.1232107903800428
Energy: 1.0190819899271881
Energy: 1.0696401975124779
Energy: 1.107300056762253
Energy: 1.0279604704003646
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Energy: 1.0193152381108705
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Energy: 1.1076183026632684
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Energy: 1.0288595246534415
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Energy: 1.0282225144439268
Energy: 1.0283042289616922
Energy: 1.0758669462389598
Energy: 1.0358203099652337
Energy: 1.0350329487570253

minimum gb energy = 0.856408543298998 eV
minimum distance =  2.34869249091315 Angstroms
sigma value = 15


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

Energy: 1.4961361827883244
Energy: 1.260993645460972
Energy: 1.1016087256493814
Energy: 1.0789496875907232
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Energy: 1.1434051582064746
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Energy: 1.3937665000854278
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Energy: 1.434670825363961
Energy: 1.3661684901408864
Energy: 1.3576449305029747
Energy: 1.2329450142298477
Energy: 1.4200697638906283
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Energy: 1.078920583402758
Energy: 1.1571403561018854
Energy: 1.2341204017631022
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Energy: 1.4358213188743785
Energy: 1.1089154896733675
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Energy: 1.2242427855263174
Energy: 1.3349744112685993
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Energy: 1.0137413341122505
Energy: 1.1251294463697024
Energy: 1.227412211483007
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minimum gb energy = 1.000082283273429 eV
minimum distance =  2.2895316739492 Angstroms
sigma value = 293


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

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Energy: 1.0221773785623638
Energy: 1.1083643516045716
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Energy: 1.2716511118794451
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Energy: 1.103575457574383
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Energy: 1.2195310039213483
Energy: 1.2647007033815003
Energy: 1.2119421443500573
Energy: 1.1027930236088106
Energy: 1.3568141919012633
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Energy: 1.2056597411753764
Energy: 1.2234753985865932
Energy: 1.3621021637771025
Energy: 1.2712359641162883
Energy: 1.3491855536985284
Energy: 1.3660371461849463
Energy: 1.2912632759576868
Energy: 1.364313883678325
Energy: 1.1095385766430266
Energy: 1.1007151806411657
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Energy: 1.227871598096894
Energy: 1.3617748295659813
Energy: 1.152887337397061
Energy: 1.1003286931786025
Energy: 1.1801349058610786
Energy: 1.3346342419888797
Energy: 1.3637375557342775
Energy: 1.0247300489312599
Energy: 1.0207983813731047
Energy: 1.102992891427165
Energy: 1.2598572118790028
Energy: 1.1401709360978955
Energy: 1.0249762477379256
Energy: 1.0231993347510593
Energy: 1.1036372918439799
Energy: 1.255691833252695
Energy: 1.171209896424128
Energy: 1.13421227476706
Energy: 1.088991241413811
Energy: 1.1350891192613204
Energy: 1.5636562805669618
Energy: 1.3842243412543307
Energy: 1.037328647939575
Energy: 1.0874772143689606
Energy: 1.1367427921834727
Energy: 1.6599888098416542
Energy: 1.383859866969945
Energy: 1.1327316260373796
Energy: 0.9968619108961604
Energy: 1.0251983629518955
Energy: 1.3395112258039907
Energy: 1.3058215974052305
Energy: 0.9966741087086849
Energy: 0.9962362604540739
Energy: 1.1826177770902069
Energy: 1.339821844719814
Energy: 1.3094310911347926
Energy: 1.1798669380592175
Energy: 1.1378066331337497
Energy: 1.2080781224444863
Energy: 1.2645762331748787
Energy: 1.3045871196870766
Energy: 1.26692655519864
Energy: 1.1377061968742785
Energy: 1.2078755006235176
Energy: 1.2653171931025053
Energy: 1.3049439282484945
Energy: 1.35999812450893
Energy: 1.3466124479515496
Energy: 1.2545465672878395
Energy: 1.1016670344120287
Energy: 1.1727879743724907
Energy: 1.358991499583398
Energy: 1.2172770966088835
Energy: 1.1963474789925475
Energy: 1.138674645349239
Energy: 1.1486570566540073

minimum gb energy = 0.9948653765431422 eV
minimum distance =  2.3102079047582 Angstroms
sigma value = 293


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

Energy: 0.9056991685838254
Energy: 0.9109953084154604
Energy: 1.0229607784933532
Energy: 1.3354264515820093
Energy: 0.9109581006254411
Energy: 0.9063158917774277
Energy: 0.9321955262519346
Energy: 1.0227666399384576
Energy: 1.335655753982998
Energy: 0.9104806297501897
Energy: 0.90897970510624
Energy: 0.9303265461479882
Energy: 0.9281171996205739
Energy: 1.3366685403628331
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Energy: 0.9941765347935423
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Energy: 1.278204398722296
Energy: 1.1321680271504428
Energy: 1.173183515587558
Energy: 1.097675788822231
Energy: 0.93001937877749
Energy: 1.2414792352617927
Energy: 1.132070486448554
Energy: 1.1723888846061417
Energy: 0.9302498648213292
Energy: 1.023466005950972
Energy: 1.0265779202954024
Energy: 1.0249056344270673
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Energy: 0.910653894983507
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Energy: 1.1316958092253226
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Energy: 0.9295960966993347
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Energy: 0.9291673392134115
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Energy: 1.2419620401943647
Energy: 1.1305804274979816
Energy: 0.9080225384156254
Energy: 0.9101840844582189
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Energy: 0.9079311382832644
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Energy: 0.9297512061476261
Energy: 0.9103307260857996
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Energy: 1.3365790821926293
Energy: 0.909252821883027
Energy: 0.9960829041584086
Energy: 1.0978313209448034
Energy: 0.9309402319087238
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Energy: 1.181359934986499
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Energy: 1.0909338011728014
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Energy: 0.9945816516679004
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Energy: 1.022462358154566
Energy: 1.3354009077778832
Energy: 0.9104704210913447
Energy: 0.9067868665354378
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Energy: 1.022547106905791
Energy: 1.3355777844674324
Energy: 0.9110071737608415
Energy: 0.995278525877796
Energy: 0.9294415139705435
Energy: 0.9268717833488787
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Energy: 1.278087092493336
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Energy: 1.1734137353094913
Energy: 1.0975483640945232
Energy: 1.0218033402622801
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Energy: 1.1323879837057478
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Energy: 0.9306636056602192
Energy: 1.023087172404473
Energy: 1.0273828817991162
Energy: 1.0259982976036204
Energy: 0.9086074666563949
Energy: 0.909846217359983
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Energy: 1.028044167586574
Energy: 1.023275305144187
Energy: 0.9086041642795566
Energy: 0.9104865069078292
Energy: 1.131923057770139
Energy: 1.0263854868897242
Energy: 1.3359550680480823
Energy: 0.9104672231173944
Energy: 0.9081384531257151
Energy: 0.9306446438084602
Energy: 0.9328120929893432
Energy: 1.3367614150919487
Energy: 0.9098517035667864
Energy: 0.9084391091589241
Energy: 0.9293355515531457
Energy: 1.0988272950572484
Energy: 1.1728081037490914
Energy: 1.023985907941609
Energy: 0.932836392728131
Energy: 1.0986309096508826
Energy: 1.1001701584406227
Energy: 1.1730989653676611
Energy: 1.0231076261525396
Energy: 1.1746222886940354
Energy: 1.097762422233943
Energy: 1.1000829660673683
Energy: 1.026447695869247
Energy: 0.9129790362769259
Energy: 1.131989448167247
Energy: 0.9302848777413514
Energy: 0.929334689820645
Energy: 1.0263169214183265
Energy: 0.9116972311079093
Energy: 1.1318665642039332
Energy: 0.9293971741768126
Energy: 1.1795535363275067
Energy: 1.1320241787161753
Energy: 1.2419325572433841
Energy: 0.9326880103053412
Energy: 0.9083289617777809
Energy: 0.9102224531282131
Energy: 1.1320023657058804
Energy: 1.2408091250531184
Energy: 0.9313218190146108
Energy: 0.9078401390611114
Energy: 0.910116008268532
Energy: 0.9298750676531393
Energy: 1.0998490334685402
Energy: 1.3379172764536293
Energy: 0.909855835369612
Energy: 0.995463964869548
Energy: 0.9290882677384319
Energy: 0.9280664673972344
Energy: 1.3368572014633981
Energy: 0.9091847593470312
Energy: 0.9304546442895911
Energy: 1.0979132341732745
Energy: 0.9304729264386519
Energy: 1.2403352347636278
Energy: 1.1814666848772875
Energy: 1.1749034937497531
Energy: 1.0973430754404898
Energy: 0.9309340814822709
Energy: 1.2394984738535837
Energy: 1.1821957202088658
Energy: 1.1740238773011697
Energy: 0.9086192684291469
Energy: 1.1313359989084073
Energy: 0.9962216217333104
Energy: 1.027820989691243
Energy: 0.994566790169504
Energy: 0.9090895908001179
Energy: 1.1315743658665178
Energy: 0.9116439725843358
Energy: 1.0263513994357596
Energy: 0.9937039962093104

minimum gb energy = 0.9056991685838254 eV
minimum distance =  2.33287701430772 Angstroms
sigma value = 15


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

Energy: 1.7056211943759771
Energy: 1.2252082565841338
Energy: 1.240034672396302
Energy: 1.1029419751301484
Energy: 1.3150745848403884
Energy: 1.6803696297576405
Energy: 1.3362064215148153
Energy: 1.1533901359633243
Energy: 1.102857826113663
Energy: 1.321002246610278
Energy: 1.0215782427378532
Energy: 1.2038802956764387
Energy: 1.0493412601938148
Energy: 1.0497841863206585
Energy: 1.0993908362759444
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Energy: 1.3184040055698096
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Energy: 1.1919999631370417
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Energy: 1.1312899228820994
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Energy: 1.176047656279919
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Energy: 0.9974833263465153
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Energy: 1.0489788478733473
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Energy: 1.3664213571109334
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Energy: 1.1851602520515239
Energy: 1.1891124400226687
Energy: 1.0937778637955684
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Energy: 1.3240553588524095
Energy: 1.0762984362421208
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Energy: 1.334865443202601
Energy: 1.303489620215804
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Energy: 1.1556333550117561
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Energy: 1.3704938180318345
Energy: 1.0233652417065142
Energy: 1.0883412206298173
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Energy: 1.1764645102458497
Energy: 1.0222777233820934
Energy: 1.1097131672400753
Energy: 1.2161344534351402
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Energy: 1.0464872400776581
Energy: 1.0469883617011817
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Energy: 1.0120066912350916
Energy: 1.0420729578523227
Energy: 1.0860449391169
Energy: 1.1178843888726502
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Energy: 1.5208938590445205
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Energy: 1.194018116986818
Energy: 1.3664908130383193
Energy: 1.05396867593489
Energy: 1.0491539937165588
Energy: 1.0894976447822955
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Energy: 1.038248874967901
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Energy: 1.188793551284794
Energy: 1.2207689051190689
Energy: 1.049337659697575
Energy: 1.021624454193337
Energy: 1.1186643363176978
Energy: 1.1748447408292992
Energy: 1.2588814882484478
Energy: 1.0944829404021934
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Energy: 1.1216033421936749
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Energy: 1.1181820890401757
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Energy: 1.286211551136743
Energy: 1.3337921890692892
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Energy: 1.0054707503314078
Energy: 1.1493979365363658
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Energy: 1.293818474122636
Energy: 1.3143346416288944
Energy: 1.0054542948558354
Energy: 1.1431290462942572
Energy: 1.3257293534046004
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Energy: 1.0383613954064748
Energy: 1.006034839441682
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Energy: 1.3505258783703133
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Energy: 1.0388730427074397
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Energy: 1.0107401228594513
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Energy: 1.1321665653053206
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Energy: 1.4229430025236391
Energy: 1.3282832075741835
Energy: 1.171552524064798
Energy: 1.485194403421283
Energy: 1.259461586544356
Energy: 1.4231585634036985
Energy: 1.3295160759031388
Energy: 1.1851398773753588
Energy: 1.2915564757820754
Energy: 1.029126965726018
Energy: 1.0124397019564721
Energy: 1.0396902388964728
Energy: 1.3042901476840796
Energy: 1.2705557729960013
Energy: 1.0292751942610656
Energy: 1.0099902903687286
Energy: 1.0372835409205952
Energy: 1.377271098247863
Energy: 1.127051917418491
Energy: 1.0694104968383444
Energy: 1.0165917760901344
Energy: 1.0353324649298745
Energy: 1.2957567535332843
Energy: 1.2190876594280662
Energy: 1.04463505942396
Energy: 1.0183627717263122
Energy: 1.0353547426651224
Energy: 1.1317355511774023
Energy: 1.2547086611637577
Energy: 1.1064683648063947
Energy: 0.9945284180841081
Energy: 1.352458945813967
Energy: 1.1322895050333888
Energy: 1.2353154118800576
Energy: 1.1109172598597274
Energy: 1.059525000370727
Energy: 1.3719379917225643
Energy: 1.0533703265117424
Energy: 1.0459604613641438
Energy: 1.4859328199798005
Energy: 1.511149442254702
Energy: 1.2371672157328713
Energy: 1.0528394721687533
Energy: 1.0691191913636018
Energy: 1.5533600161638168
Energy: 1.488742949698562
Energy: 1.0604805307145762
Energy: 1.048653350315976
Energy: 1.1379680975015867
Energy: 1.253965757137541
Energy: 1.3165337411557678
Energy: 1.0716444341077465
Energy: 1.0493064400335146
Energy: 1.0667041925062561
Energy: 1.4829465631417782
Energy: 1.2858377147659148
Energy: 1.06668896801708
Energy: 1.0349774601572281
Energy: 1.0765827974596198
Energy: 1.1733809448780668
Energy: 1.3086339476590279
Energy: 1.142490788184892
Energy: 1.033819452786388
Energy: 1.1071497305923221
Energy: 1.1780492843246435
Energy: 1.1787113216230045
Energy: 1.1362415970029145
Energy: 1.269381852916509
Energy: 1.168834358840307
Energy: 1.1050500867810327
Energy: 1.1638563538490017
Energy: 1.1998162819301372
Energy: 1.2784417607122207
Energy: 1.1246006113177445
Energy: 1.1106722314772992
Energy: 1.2017203727890982
Energy: 1.137343437289469
Energy: 1.0793206214359072
Energy: 1.2289329726436484
Energy: 1.274077931634755
Energy: 1.2301922245969066
Energy: 1.4971955497848808
Energy: 1.2508820004391772
Energy: 1.1669115038921067
Energy: 1.3621830533032389
Energy: 1.2215731362014624
Energy: 1.497093548078011
Energy: 1.314085361903422
Energy: 1.3137441409457846
Energy: 1.2551176139248421
Energy: 1.3178062688640084
Energy: 1.0082106283369097
Energy: 1.3147265940359207
Energy: 1.3170201644809638
Energy: 1.3136071818485933
Energy: 1.3335335383039184
Energy: 1.0319824625100624
Energy: 1.1025533346490166
Energy: 1.3542870373016265
Energy: 1.0173750541831423
Energy: 1.0044904787992812
Energy: 1.0120903889033228
Energy: 1.1042885784403613
Energy: 1.3561258065267694
Energy: 1.032146750496879
Energy: 1.004335322875194
Energy: 1.018789528486346
Energy: 1.1962601098894743
Energy: 1.4233918159844048
Energy: 1.166388790726204
Energy: 1.027324689308287
Energy: 1.0049444531905447
Energy: 1.1993521746898685
Energy: 1.4293708022681872
Energy: 1.1752446511090133
Energy: 1.0152991852819824
Energy: 1.0062259656185575
Energy: 1.298756713530052
Energy: 1.3128218700604304
Energy: 1.0910585893300504
Energy: 1.1975742076414677
Energy: 1.1869561461403089
Energy: 1.2971107080211914
Energy: 1.3647131497128484
Energy: 0.9984460521917018
Energy: 1.2070134647626936
Energy: 1.1722533952484875
Energy: 0.996992058378692
Energy: 0.9968856439079109
Energy: 1.1255666968050624
Energy: 1.2723504324663133
Energy: 1.183098270543002
Energy: 0.9971713306565289
Energy: 1.0578435631576182
Energy: 1.127200267515226
Energy: 1.297689288287319
Energy: 1.1005332228091278
Energy: 1.0191232591568025
Energy: 0.9967185405014968
Energy: 1.0040026982399899
Energy: 1.3356475209838585
Energy: 1.1499906965862126
Energy: 1.0195066651770464
Energy: 1.0066071663659497
Energy: 1.01782837745108
Energy: 1.2293138838119362
Energy: 1.174933438517141
Energy: 1.0393019641161378
Energy: 0.9978971938085396
Energy: 1.1335001124086823
Energy: 1.1397935262624133
Energy: 1.1467289250054984
Energy: 1.0725856620257825
Energy: 1.0057543666987705
Energy: 1.1325873185407458
Energy: 1.3333983904313993
Energy: 1.1016973928064764
Energy: 1.7112050847133544
Energy: 1.147218710600254
Energy: 1.3620645365299242
Energy: 1.0550421485458437
Energy: 1.1383583858721764
Energy: 1.4399004685369896
Energy: 1.1328550995927036
Energy: 1.3288571768557775
Energy: 1.075015900733912
Energy: 1.381928373237942

minimum gb energy = 0.9945284180841081 eV
minimum distance =  2.2517063703885 Angstroms
sigma value = 437


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

Energy: 1.256130730501405
Energy: 1.246747200803545
Energy: 1.21681824497024
Energy: 1.3076342494935054
Energy: 1.247666468659126
Energy: 1.257210307841145
Energy: 1.1493792794425606
Energy: 1.2215343605147115
Energy: 1.323931148926406
Energy: 1.5076590810734982
Energy: 0.9754354630853954
Energy: 1.29094472596676
Energy: 1.0948736754117065
Energy: 1.1026279698326813
Energy: 1.3442796910867438
Energy: 1.1633350243079204
Energy: 1.2910371124665247
Energy: 1.0944570668726106
Energy: 1.270753610216729
Energy: 1.1848827849461523
Energy: 1.1074224258821175
Energy: 1.1388358934577112
Energy: 1.1406298925386462
Energy: 1.1165704379729362
Energy: 1.0343164703485934
Energy: 1.1091892698772854
Energy: 1.1383505629299173
Energy: 1.2497492425523091
Energy: 1.0606477819624456
Energy: 1.0365559264344906
Energy: 1.0835319403065231
Energy: 1.1051874852975458
Energy: 1.2523450665825215
Energy: 1.0968258449415669
Energy: 1.0359286377435735
Energy: 1.0800461020890424
Energy: 1.0774857886726612
Energy: 1.252065790156049
Energy: 1.0971754691220748
Energy: 1.034867964860525
Energy: 1.230219199727314
Energy: 1.4538565145968005
Energy: 1.214025170038354
Energy: 1.1015593228355451
Energy: 1.4090478062723608
Energy: 1.2296805572160165
Energy: 1.454145013687919
Energy: 1.2105419876727073
Energy: 1.1019249290429884
Energy: 1.3804236499662863
Energy: 1.3419074047472737
Energy: 1.0059286954660467
Energy: 1.0788277504219308
Energy: 1.1182934318768811
Energy: 1.2599724655633966
Energy: 1.1958287288100335
Energy: 1.0057718522432182
Energy: 1.1178078594908063
Energy: 1.117143829097113
Energy: 1.2596743034787037
Energy: 1.1135777792973507
Energy: 1.079848793388812
Energy: 1.068512254654952
Energy: 1.082429695655871
Energy: 1.3291933206194984
Energy: 1.1135986299905534
Energy: 1.0748741527299337
Energy: 1.0688962817491106
Energy: 1.3873596898292435
Energy: 1.3350241884105376
Energy: 1.2347601601593505
Energy: 1.1117061441872014
Energy: 1.0510419857186837
Energy: 1.1795426720580164
Energy: 1.3003702805614517
Energy: 1.1477384077944313
Energy: 1.1109224087942613
Energy: 1.114107808058023
Energy: 1.182651524593126
Energy: 1.3032529055211262
Energy: 1.1960124203365086
Energy: 1.3563489736027863
Energy: 1.315291643607473
Energy: 1.302768464845092
Energy: 1.1889361603454687
Energy: 1.1928471341432445
Energy: 1.3589488632701696
Energy: 1.2736972090736924
Energy: 1.3158226233206278
Energy: 1.1715740573776783
Energy: 1.29806819473545
Energy: 1.2140052540738264
Energy: 1.1458958549241216
Energy: 1.4172840054645195
Energy: 1.3392800928096633
Energy: 1.171283870650202
Energy: 1.2110599177785375
Energy: 1.1486670443407743
Energy: 1.4157013196766917
Energy: 1.3347582382392598
Energy: 0.9892866772666709
Energy: 0.9904582286629773
Energy: 1.2836002401634679
Energy: 1.3149037891189945
Energy: 1.3544487222970374
Energy: 0.9873766211102052
Energy: 0.9801846463418162
Energy: 1.2808283098772746
Energy: 1.2657091787913004
Energy: 1.1166509145569974
Energy: 0.9879648466628858
Energy: 0.99001727462879
Energy: 0.9876487755822366
Energy: 1.3920934805806193
Energy: 0.9909123864466476
Energy: 0.9839050122719165
Energy: 0.9928466066511299
Energy: 1.0549134885723659
Energy: 1.389804320951369
Energy: 0.9947300619948992
Energy: 0.983990774529491
Energy: 1.209097508266751
Energy: 1.1816338995183229
Energy: 1.2451571629299338
Energy: 1.1818199739465869
Energy: 0.9876595343799369
Energy: 1.2130874163934435
Energy: 1.182616687243759
Energy: 1.254156912946175
Energy: 1.1196718840509918
Energy: 1.644479168786294
Energy: 1.3231389358681467
Energy: 1.4619939138783995
Energy: 0.9901086201081186
Energy: 1.200565205017958
Energy: 1.6450724698880572
Energy: 1.3401686341471777
Energy: 1.4635290568438533
Energy: 1.2321810372400954
Energy: 1.3257501837512817

minimum gb energy = 0.9754354630853954 eV
minimum distance =  2.27545123670473 Angstroms
sigma value = 33