Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999862909317
cohesive_energy=3.3503944978124447
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7689632215994e-19, 2.41521718868964e-19, 2.89003825594188e-19, 3.2679276368371202e-19, 3.58028799340176e-19, 3.84429465915228e-19, 4.07063415223746e-19, 4.26646820221128e-19, 4.436923774302539e-19, 4.585798027133819e-19, 4.7159909004126595e-19, 4.8298095284920195e-19, 4.929112436267339e-19, 5.01540566977458e-19, 5.08993892678826e-19, 5.1538016874195e-19, 5.20789117058334e-19, 5.252992442830439e-19, 5.28977841834708e-19, 5.3188419024878395e-19, 5.3406955917756e-19, 5.3558361609669e-19, 5.364648132453899e-19, 5.36750000686242e-19, 5.36443984949148e-19, 5.354570441426039e-19, 5.33673821548962e-19, 5.309549278010639e-19, 5.271385430588759e-19, 5.2202920177305e-19, 5.15391383978388e-19, 5.0694470876393995e-19, 4.963447081533959e-19, 4.8317641839855e-19, 4.669223364466199e-19, 4.469496025271759e-19, 4.2246193485311996e-19, 3.9246117738146997e-19, 3.5567359968819596e-19, 3.1046498160661796e-19, 2.54699621683614e-19, 1.8556569992651397e-19, 9.928896883860419e-20, -9.281697632556119e-21, -1.47320942584617e-19, -3.2504959550592e-19, -5.574469184442539e-19, -8.67152468326356e-19, -1.2897489860167318e-18, -1.8838392862571997e-18, -2.75180245596036e-18, -4.08646365738138e-18, -6.29147527169022e-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: -0.00986900153303542 eV

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

Energy: 0.011646852634107415
Energy: 0.012284126147541222
Energy: 0.06259615468400212
Energy: 0.06269887741691439
Energy: 0.012198156712583534
Energy: 0.012538894681993939
Energy: 0.06282765174691514
Energy: 0.06255000393823258
Energy: 0.06284959220205517
Energy: 0.012092988461330773
Energy: 0.012326744086406024
Energy: 0.06259428104151404
Energy: 0.06340775577142287
Energy: 0.06250036725953143
Energy: 0.06277439321578698
Energy: 0.06269358224770046
Energy: 0.06268059743096525
Energy: 0.06356585745404676
Energy: 0.06254724282638234
Energy: 0.06286634560478555
Energy: 0.06254635888186198
Energy: 0.012024072186109364
Energy: 0.011954295256634079
Energy: 0.06279284588812614
Energy: 0.062493131686407015
Energy: 0.06302955461292668
Energy: 0.011996385609299205
Energy: 0.012048729007595174
Energy: 0.0627104078925179
Energy: 0.06249417575590012
Energy: 0.06250610402804783
Energy: 0.012062906179109349
Energy: 0.012061120427542428
Energy: 0.0625524564567611
Energy: 0.06269879298291274
Energy: 0.06263599643893353
Energy: 0.012015927498411608
Energy: 0.012060064710665105
Energy: 0.06244929345530059
Energy: 0.06256644093932139
Energy: 0.06247666623211697
Energy: 0.06274099290974144
Energy: 0.06275146142110508
Energy: 0.0119752474573719
Energy: 0.01198091312112726
Energy: 0.062453268432474146
Energy: 0.06287227794354992
Energy: 0.06277991134593028
Energy: 0.012000316357806164
Energy: 0.06251929139106017
Energy: 0.06263511140197604
Energy: 0.06252657787300596
Energy: 0.06288847389328346
Energy: 0.011944352578262575
Energy: 0.012117778698608455
Energy: 0.06258444129052361
Energy: 0.06238374210666815
Energy: 0.06285338872666467
Energy: 0.011967782443423017
Energy: 0.01218113842029846
Energy: 0.012312668359576838
Energy: 0.06257465519383014
Energy: 0.0625262547026096
Energy: 0.064528900987576
Energy: 0.06270917018554015
Energy: 0.012242337043765282
Energy: 0.06263644465737842
Energy: 0.06248819404508656
Energy: 0.0630177473217587
Energy: 0.06272416756192387

minimum gb energy = 0.011646852634107415 eV
minimum distance =  2.82838411643884 Angstroms
sigma value = 3


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

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Energy: 0.5406369412433231
Energy: 0.5300309725540073
Energy: 0.5457211129067582
Energy: 0.5634780783114622
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Energy: 0.5361890820192133
Energy: 0.4617352716197199
Energy: 0.6065590419091343
Energy: 0.5414973810103703
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Energy: 0.44039387421525444
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Energy: 0.5053469355845687
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Energy: 0.6199510889379827
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Energy: 0.5361640625971895
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Energy: 0.5107066837547838
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Energy: 0.5290942379457795
Energy: 0.5044135858964534
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Energy: 0.5180940553601765
Energy: 0.4693741556279684
Energy: 0.505374643779292
Energy: 0.531140040968751
Energy: 0.4896877185611353
Energy: 0.48634291392853607
Energy: 0.5054944838042693
Energy: 0.5018177207526993
Energy: 0.606451642914636
Energy: 0.43918568351642756
Energy: 0.5226967824547439
Energy: 0.5945422529246791
Energy: 0.5544956210394842
Energy: 0.6815880128274348
Energy: 0.4392310677286507
Energy: 0.48905095190419134
Energy: 0.6217305096710433
Energy: 0.6033853523519899
Energy: 0.5977186251221505
Energy: 0.5419295629795938
Energy: 0.5981286348386927
Energy: 0.6406522516309762
Energy: 0.5884643670677236
Energy: 0.5196654976004506
Energy: 0.6039986950950866
Energy: 0.529654145970557
Energy: 0.6571749136940578
Energy: 0.5780290909972225
Energy: 0.4428489163725538
Energy: 0.5028950304788126
Energy: 0.5463909289921071
Energy: 0.5735286554059207
Energy: 0.5880813808497118
Energy: 0.4455431687712241
Energy: 0.5169222070295307
Energy: 0.5268115086453569
Energy: 0.5681742665833028
Energy: 0.5969987455113898
Energy: 0.6034551102648139
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Energy: 0.52939530910834
Energy: 0.570379796713123
Energy: 0.6135780007600796
Energy: 0.5625315857097152
Energy: 0.5308354661876387
Energy: 0.5273908409440109
Energy: 0.5351820215201405

minimum gb energy = 0.4229385418723833 eV
minimum distance =  2.52315168017248 Angstroms
sigma value = 75


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

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Energy: 0.5623393778959442
Energy: 0.48636475970850673
Energy: 0.541284013473171
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minimum gb energy = 0.47983385180590227 eV
minimum distance =  2.44327699200048 Angstroms
sigma value = 105


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

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Energy: 0.47902519785287395
Energy: 0.5198868574595199
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Energy: 0.5561054827078784
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Energy: 0.4786166723950103
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Energy: 0.5631448161372771
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Energy: 0.555751033809687
Energy: 0.4930942737908348
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Energy: 0.4790268196855786
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Energy: 0.4883201778434722
Energy: 0.5390507263178567
Energy: 0.5502750550266061
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Energy: 0.5310461669959172
Energy: 0.5507975175526774
Energy: 0.5724970051429891
Energy: 0.5503009150715339
Energy: 0.5541163290412684
Energy: 0.5270526285306617
Energy: 0.535531780928166
Energy: 0.5479804776788283
Energy: 0.5375007261145772
Energy: 0.47902877222569284
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Energy: 0.5369207518546616
Energy: 0.5481973682224293
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Energy: 0.5168624272126532
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Energy: 0.5397137319148961
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Energy: 0.5056640598473028
Energy: 0.5958472810457797
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Energy: 0.5396646007460048
Energy: 0.5114098860709075
Energy: 0.5073678221832796
Energy: 0.606307801695412
Energy: 0.5880289024633777
Energy: 0.5121859864469068
Energy: 0.5109520333473847
Energy: 0.5178105342569126
Energy: 0.5212343667429151
Energy: 0.5882942803940444
Energy: 0.5120947000016547
Energy: 0.5108407730402954
Energy: 0.5117254046811184
Energy: 0.5190315268084988
Energy: 0.542485756808925
Energy: 0.5234077787309036
Energy: 0.545658677860135
Energy: 0.5288744206034148
Energy: 0.538007971626917
Energy: 0.5071177858009092
Energy: 0.5038618604061205
Energy: 0.5431346465714455
Energy: 0.5421690263967601
Energy: 0.539473581431368
Energy: 0.5300605753543222
Energy: 0.5091343493514655
Energy: 0.5389368905597248
Energy: 0.5209202418682287
Energy: 0.5283374426413394
Energy: 0.525847938392778
Energy: 0.5163697284210923
Energy: 0.5379316870970406
Energy: 0.546229334558554
Energy: 0.5325034739918126
Energy: 0.5341571731827741
Energy: 0.48300743392972084
Energy: 0.5072712393544718
Energy: 0.5118215816035373
Energy: 0.5283434353688601
Energy: 0.5067934140644372
Energy: 0.48271050047273695
Energy: 0.5038797864108183
Energy: 0.5091482294408304
Energy: 0.553728266205529
Energy: 0.5508874429501642
Energy: 0.4906694066428225
Energy: 0.523211460553616
Energy: 0.5365382733287432
Energy: 0.506154315457379
Energy: 0.5579091909001165
Energy: 0.49025821286080584
Energy: 0.5121779174455288
Energy: 0.5404426613716434
Energy: 0.5169202370294785
Energy: 0.5283189507976758
Energy: 0.5569032928249628
Energy: 0.5267597070636377
Energy: 0.5844904901677921
Energy: 0.5336064939813028
Energy: 0.5393257419879027
Energy: 0.5533422821261585
Energy: 0.5683145229797057
Energy: 0.5869588633765722
Energy: 0.5348680088238209
Energy: 0.5071912789447636
Energy: 0.548706849964102
Energy: 0.5124876177314699
Energy: 0.5022063539408581
Energy: 0.5081465373898845
Energy: 0.46468983660284413
Energy: 0.5568713373746629
Energy: 0.49890450704606315
Energy: 0.48950577601446166
Energy: 0.5411583849750166
Energy: 0.5520657685041849
Energy: 0.4929120817779734
Energy: 0.5012709723646759
Energy: 0.5014578169095837
Energy: 0.48803858541131234
Energy: 0.5673041541577305
Energy: 0.487836654594788
Energy: 0.4888900776991689
Energy: 0.4893786612952111
Energy: 0.5006394394055809

minimum gb energy = 0.46431617704962075 eV
minimum distance =  2.52817641836967 Angstroms
sigma value = 165


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

Energy: 0.5565158247075106
Energy: 0.503866531108994
Energy: 0.45321427751364823
Energy: 0.4708165579696134
Energy: 0.5042666854028443
Energy: 0.5572670554197897
Energy: 0.4719266651526843
Energy: 0.45349354503763056
Energy: 0.47073086274683906
Energy: 0.5046369005605047
Energy: 0.5035907246947683
Energy: 0.47754431578941525
Energy: 0.4731567631715026
Energy: 0.47348989843002004
Energy: 0.517675723531913
Energy: 0.4786879427471037
Energy: 0.47766278659900097
Energy: 0.4729124623469154
Energy: 0.47428188818853884
Energy: 0.5165507359719911
Energy: 0.4749997054805454
Energy: 0.5287600161471405
Energy: 0.49616292220043573
Energy: 0.5334066429604807
Energy: 0.509534054912933
Energy: 0.47519104427728165
Energy: 0.5335812738862011
Energy: 0.4753326292405536
Energy: 0.533678131677539
Energy: 0.47606736589515464
Energy: 0.5093552067047613
Energy: 0.4721080447771645
Energy: 0.4861829619244237
Energy: 0.4751468165949961
Energy: 0.5632401108506441
Energy: 0.534169490208364
Energy: 0.4721918905200987
Energy: 0.48616201452310753
Energy: 0.47482639426928597
Energy: 0.5622651274884413
Energy: 0.5286417475031542
Energy: 0.43588523507957555
Energy: 0.47160174660759363
Energy: 0.47270783666802374
Energy: 0.4713803305530443
Energy: 0.478626433085124
Energy: 0.4716278713638437
Energy: 0.4715739692119908
Energy: 0.47253717197731354
Energy: 0.47104731874215905
Energy: 0.4731339177015509
Energy: 0.5694442397267226
Energy: 0.5259143228160705
Energy: 0.4294682101829748
Energy: 0.47174403990045327
Energy: 0.4731912966249491
Energy: 0.5688769813500087
Energy: 0.4714977104370983
Energy: 0.43221395705708865
Energy: 0.47124358128370764
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Energy: 0.4774343236040474
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Energy: 0.5572542832565417
Energy: 0.4709771830153136
Energy: 0.5012700081430357
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Energy: 0.49698130217977
Energy: 0.45142066180788953
Energy: 0.5351683086959926
Energy: 0.4307480270483016
Energy: 0.5239298611490933
Energy: 0.43859902221783365
Energy: 0.4738165087366087
Energy: 0.47110156065628167
Energy: 0.43026730932615204
Energy: 0.5246684063677374
Energy: 0.4718980774417472
Energy: 0.4715604956727528
Energy: 0.5033640007368897
Energy: 0.4721291540304371
Energy: 0.48794228108524385
Energy: 0.4725733859654413
Energy: 0.47504559125890344
Energy: 0.5230842882761675
Energy: 0.5174345606160707
Energy: 0.4877812289628289
Energy: 0.4729609852383004
Energy: 0.4744464401270226
Energy: 0.5229833440810169
Energy: 0.43015719282351306
Energy: 0.4750784003490963
Energy: 0.5335996749665219
Energy: 0.5648901831574199
Energy: 0.5584712701352484
Energy: 0.48699371825048404
Energy: 0.474903945410582
Energy: 0.5333577994548523
Energy: 0.5663908206874112
Energy: 0.5580796839835167
Energy: 0.5351606288176903
Energy: 0.47251691341270335
Energy: 0.4876374154040007
Energy: 0.4757717046926129
Energy: 0.4298575149693899
Energy: 0.5352107552608751
Energy: 0.47197871300209865
Energy: 0.4874883722736381
Energy: 0.47169331919015717
Energy: 0.48067317217395644
Energy: 0.5240963995865012
Energy: 0.5518999024897773
Energy: 0.47106901624042563
Energy: 0.4721170562926349
Energy: 0.43661513923483836
Energy: 0.5326129175757123
Energy: 0.4710968679960837
Energy: 0.4714858915349813
Energy: 0.47180340806177357
Energy: 0.43683057976139916
Energy: 0.47177219966765377
Energy: 0.48611735178948856
Energy: 0.4712572266158345
Energy: 0.43296158660911327
Energy: 0.5214272297685442
Energy: 0.5189280180121423
Energy: 0.48643032280523546
Energy: 0.4712524375874907
Energy: 0.4314576273551116
Energy: 0.47261275960769816
Energy: 0.4848029923307219
Energy: 0.5259292749700859
Energy: 0.47901327615633055
Energy: 0.45413895057002623
Energy: 0.47785030866578293
Energy: 0.4886326839264943
Energy: 0.47376353829450973
Energy: 0.47852575434016875
Energy: 0.45218313836176854
Energy: 0.47774305206430795

minimum gb energy = 0.4294682101829748 eV
minimum distance =  2.5273641778689 Angstroms
sigma value = 41


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

Energy: 0.8518370304865699
Energy: 0.4460252023720441
Energy: 0.41700062106538904
Energy: 0.40977165945564525
Energy: 0.44553967402347167
Energy: 0.4218528485235745
Energy: 0.4285509621040424
Energy: 0.41263133622375237
Energy: 0.4157291014190954
Energy: 0.4417733124455792
Energy: 0.45912891411722734
Energy: 0.4614715289705496
Energy: 0.4113428845813157
Energy: 0.4164847434691756
Energy: 0.45436821980866865
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Energy: 0.4465053334027767
Energy: 0.4176611568786383
Energy: 0.41502778053472256
Energy: 0.47717042671834803
Energy: 0.43647058527106786
Energy: 0.4585713495250268
Energy: 0.4583933629666476
Energy: 0.4361682742015146
Energy: 0.4826290799929702
Energy: 0.4372329962293516
Energy: 0.41863464798035227
Energy: 0.46553241946358925
Energy: 0.44621924964119386
Energy: 0.5499917275990042
Energy: 0.5383430314019269
Energy: 0.4281462895967357
Energy: 0.4394869649451313
Energy: 0.4382480444478697
Energy: 0.4279564340622996
Energy: 0.5260486851257532
Energy: 0.439853951204795
Energy: 0.4377367602817221
Energy: 0.4366925460236346
Energy: 0.49808382941601814
Energy: 0.46404694522594336
Energy: 0.4388970579512643
Energy: 0.4396068949063404
Energy: 0.4650659260519528
Energy: 0.5025017861025263
Energy: 0.4635665752743569
Energy: 0.436720745688786
Energy: 0.43701678831263074
Energy: 0.466435205062631
Energy: 0.5144611507366168
Energy: 0.45228784419344975
Energy: 0.42009983559847663
Energy: 0.5527184184282187
Energy: 0.5050401586053211
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Energy: 0.42112329730462317
Energy: 0.5319400708497009
Energy: 0.5054182626755586
Energy: 0.45292688270819415
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Energy: 0.4469883988292279
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Energy: 0.46225084480874895
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Energy: 0.4188014152917617
Energy: 0.4124037464566436
Energy: 0.42053207198710196
Energy: 0.45026984739302456
Energy: 0.42291008381170436
Energy: 0.42132571435898586
Energy: 0.4123767139191706
Energy: 0.4994566860722965
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Energy: 0.43993285045803904
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Energy: 0.44306106408434015
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Energy: 0.4656880775683519
Energy: 0.41965633196777297
Energy: 0.41901391272899885
Energy: 0.4194015088133151
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Energy: 0.4192818127038422
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Energy: 0.43744484559839975
Energy: 0.42528601212286266
Energy: 0.42039869250947065
Energy: 0.42586448100848917
Energy: 0.42250192890387994
Energy: 0.5773255928910473
Energy: 0.4375359424581382
Energy: 0.4192484447909853
Energy: 0.42592573454926835
Energy: 0.42258063473219065
Energy: 0.49649934228836706
Energy: 0.43802896112500356
Energy: 0.4128770149914527
Energy: 0.44335337045197093
Energy: 0.4395626814283031
Energy: 0.44156241637553867
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Energy: 0.41306420339444944
Energy: 0.448030697486762
Energy: 0.43971881980055005
Energy: 0.4415471078159287
Energy: 0.4647041693359381
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Energy: 0.4360600674678065
Energy: 0.4380905291370874
Energy: 0.4903920926280999
Energy: 0.43899972957003647
Energy: 0.438057839469892
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Energy: 0.4882607687361791
Energy: 0.43843954856322204
Energy: 0.4383460880487339
Energy: 0.5364064052945959
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Energy: 0.4383020130225918
Energy: 0.4703256461150856
Energy: 0.5362226672375737
Energy: 0.46045336180574836
Energy: 0.49788146614130535
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Energy: 0.4398298744270695
Energy: 0.46815974646161673
Energy: 0.46911902293688595
Energy: 0.4035322515083035
Energy: 0.43472896072561984
Energy: 0.438272163339772
Energy: 0.49818344007491505
Energy: 0.4479261932345187
Energy: 0.44392895567239365
Energy: 0.5011063881930006
Energy: 0.4736045399214401
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Energy: 0.44967137196175044
Energy: 0.47238225872331535
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Energy: 0.4130612011770605
Energy: 0.41002923774765565
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Energy: 0.41774278598894676
Energy: 0.4221538596809082
Energy: 0.4512364749328813
Energy: 0.41670706336098173
Energy: 0.4097274234116912
Energy: 0.41826311275163636
Energy: 0.4203786122123678
Energy: 0.45121754610679693
Energy: 0.45780691229483583
Energy: 0.4408260911039741
Energy: 0.44070158923419434
Energy: 0.4083661309310411
Energy: 0.4922252353867901
Energy: 0.45374087090451826
Energy: 0.41939643136812976
Energy: 0.4340571986795732
Energy: 0.42007436822530503
Energy: 0.5472703613577302
Energy: 0.4159038935525725
Energy: 0.43674691200545357
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Energy: 0.49518490344060595
Energy: 0.41091702365478455
Energy: 0.4299466579325698
Energy: 0.4268762668120622
Energy: 0.4675639785870802

minimum gb energy = 0.4035322515083035 eV
minimum distance =  2.57096023832445 Angstroms
sigma value = 185


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

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Energy: 0.32308495278437194
Energy: 0.44861322424772754
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Energy: 0.3462572748594968
Energy: 0.41829175630660936
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Energy: 0.2628167813082814
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Energy: 0.3388780703287735
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Energy: 0.4056585985448167
Energy: 0.30526513025339425
Energy: 0.37088002582698537
Energy: 0.36808100458367893
Energy: 0.4678357299458128
Energy: 0.2693194491641289
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Energy: 0.32977603835252595
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Energy: 0.42893178186634145
Energy: 0.31691079081447293
Energy: 0.3259457312219911
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Energy: 0.39846539250139673
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Energy: 0.24657493234340208
Energy: 0.2817081100850569
Energy: 0.4032194264793806
Energy: 0.4729697872410179
Energy: 0.3240050314664532

minimum gb energy = 0.20692871592485293 eV
minimum distance =  2.60824958970458 Angstroms
sigma value = 33


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

Energy: 0.7158051058454045
Energy: 0.4016101801679798
Energy: 0.4042469409353029
Energy: 0.3763023721686506
Energy: 0.3881795314706111
Energy: 0.3881997446370646
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Energy: 0.39467859361277907
Energy: 0.4152050908302682
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Energy: 0.3789859807035913
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Energy: 0.36347088841821795
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Energy: 0.37977875130026084
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Energy: 0.3788325490803357
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Energy: 0.4053586914402595
Energy: 0.3920092208101676
Energy: 0.4239308549291556

minimum gb energy = 0.3554553246729889 eV
minimum distance =  2.51189225925643 Angstroms
sigma value = 219


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

Energy: 0.6637043826309462
Energy: 0.4728435841075781
Energy: 0.46422874917003987
Energy: 0.44135300568439206
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Energy: 0.47421331872540023
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Energy: 0.5056701401705677
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Energy: 0.4875907486052209
Energy: 0.5044803451547163
Energy: 0.47368346388461535
Energy: 0.46396182982174017
Energy: 0.49299716325807424
Energy: 0.4887032462471126
Energy: 0.5043870664054744
Energy: 0.47374344312775374
Energy: 0.4639064813979709
Energy: 0.4915578545372094
Energy: 0.49008472093309785
Energy: 0.49249048392387906
Energy: 0.5458056022264218
Energy: 0.5107979065913228
Energy: 0.5015314699465051
Energy: 0.4868057860445797
Energy: 0.4928115103817569
Energy: 0.5451125851335047
Energy: 0.5013629195246281
Energy: 0.5014824835917112
Energy: 0.48674164404451087

minimum gb energy = 0.40575773987321057 eV
minimum distance =  2.61059871508829 Angstroms
sigma value = 15


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

Energy: 0.6852728405289366
Energy: 0.5060446313865435
Energy: 0.5142088697796121
Energy: 0.49640039127020336
Energy: 0.5398335782902947
Energy: 0.6855231740033193
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Energy: 0.5626128570571988
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Energy: 0.5456746634245863
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Energy: 0.5022830335768262
Energy: 0.5782531078007831
Energy: 0.5990037732545551
Energy: 0.5496997853257074
Energy: 0.5499625931555338
Energy: 0.5039807056666442
Energy: 0.5821668016534246
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minimum gb energy = 0.49461470127309437 eV
minimum distance =  2.53630891751266 Angstroms
sigma value = 293


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

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Energy: 0.48990683890391834
Energy: 0.5565371788313406
Energy: 0.5286147630621625
Energy: 0.5560776774810982
Energy: 0.48730016927529807
Energy: 0.4871242361498629
Energy: 0.555968782363365
Energy: 0.5299710967382234
Energy: 0.555684747301091
Energy: 0.556482032979518
Energy: 0.5301163959849943
Energy: 0.5382462981181558
Energy: 0.589099209774724
Energy: 0.5885479631198939
Energy: 0.5901482768674099
Energy: 0.530599309167879
Energy: 0.530637429155944
Energy: 0.5888069273685282
Energy: 0.5894951786875438
Energy: 0.4877014331395731
Energy: 0.5568948177132909
Energy: 0.5716315607042519
Energy: 0.5000509164642146
Energy: 0.5357312731594445
Energy: 0.48731595326358956
Energy: 0.5569297287124116
Energy: 0.5708869843051302
Energy: 0.5001630850126355
Energy: 0.5356998397858768
Energy: 0.646131954755085
Energy: 0.5351587938288586
Energy: 0.5000966529986972
Energy: 0.5232067163283967
Energy: 0.5275743316951488
Energy: 0.6458408257736246
Energy: 0.5230706010735063
Energy: 0.4999386567413664
Energy: 0.5228882925707699
Energy: 0.528041887762904
Energy: 0.5882194886759894
Energy: 0.5238366601683891
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Energy: 0.4996547703280642
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Energy: 0.4998620707351469
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Energy: 0.5242694509528661
Energy: 0.6491086578875711
Energy: 0.5267612418339883
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Energy: 0.5231731403691119
Energy: 0.5242479155345952
Energy: 0.6479044582458431
Energy: 0.5269746698480985
Energy: 0.5075986817378909
Energy: 0.5232848530233224
Energy: 0.5240986527924876
Energy: 0.5532015687171392
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Energy: 0.5013665703467486
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Energy: 0.5237123662858004
Energy: 0.524022278375495
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Energy: 0.5016636309511011
Energy: 0.5224080758263672
Energy: 0.5589587003169078
Energy: 0.6611985975068969
Energy: 0.5358171262429114
Energy: 0.4999685821007471
Energy: 0.5329469924269161
Energy: 0.5605905196377128
Energy: 0.5925530510602284
Energy: 0.5224644673927475
Energy: 0.4999695980888248
Energy: 0.520456759314696
Energy: 0.5460597191794638
Energy: 0.5547945374013853
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Energy: 0.4872421595321146
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Energy: 0.5537186659974923
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Energy: 0.5304242287941809
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Energy: 0.5567926002619802
Energy: 0.5357921656549206
Energy: 0.5281497272921459
Energy: 0.5706388443096934
Energy: 0.5554567563201117
Energy: 0.5560469327751605
Energy: 0.5308943500023541
Energy: 0.5296561886568623
Energy: 0.5704753956113892
Energy: 0.5425953714294622
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Energy: 0.5276771812319715
Energy: 0.5879991293788557
Energy: 0.53698766349274
Energy: 0.5555085751987776
Energy: 0.5289173906534116
Energy: 0.5372692442960545
Energy: 0.5885621859672788
Energy: 0.49979600316647504
Energy: 0.5225019316307321
Energy: 0.6471330927815327
Energy: 0.5112184938563138
Energy: 0.5001227192212901
Energy: 0.4998167394916522
Energy: 0.5227627170185867
Energy: 0.6466092432064272
Energy: 0.5331838785679373
Energy: 0.50037289740343
Energy: 0.501668980413985
Energy: 0.5000756177092985
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Energy: 0.5243585862632372
Energy: 0.5230736858566627
Energy: 0.5018687769307029
Energy: 0.5000932312136682
Energy: 0.540391666709758
Energy: 0.5241877806444384
Energy: 0.5237879004610861
Energy: 0.524181572018722
Energy: 0.5763233421385097
Energy: 0.5703873201128623
Energy: 0.5273609522675372
Energy: 0.5229929600351192
Energy: 0.5247991755018844
Energy: 0.5762419989634272
Energy: 0.601373803082385
Energy: 0.5276558181264345
Energy: 0.5233975295153429
Energy: 0.6462233999393345
Energy: 0.5893300394649059
Energy: 0.5230489105284902
Energy: 0.5358615672309932
Energy: 0.5275196907280979
Energy: 0.5933923483973645
Energy: 0.5903373869629862
Energy: 0.5277561014797274
Energy: 0.5358447508313866
Energy: 0.6494142905567025
Energy: 0.5001970053210585
Energy: 0.5076875961961621
Energy: 0.5233874228372694
Energy: 0.537644774378231
Energy: 0.6078359576126843
Energy: 0.5000035489814616
Energy: 0.5235052284401609
Energy: 0.5235904159132813
Energy: 0.5357580304966311
Energy: 0.5118966989867376
Energy: 0.5002000220398822
Energy: 0.5019064387991528
Energy: 0.5230152251520122
Energy: 0.556812122019347
Energy: 0.5535645390349043
Energy: 0.5003987361770996
Energy: 0.5008926201298051
Energy: 0.5231059860442636
Energy: 0.5548504070754794
Energy: 0.5643484715261049
Energy: 0.5002206963655901
Energy: 0.5314533541782366
Energy: 0.5226578502240629
Energy: 0.6599321741552646
Energy: 0.560490981644755
Energy: 0.500271508511797
Energy: 0.5310508228631372
Energy: 0.5359021900103674
Energy: 0.6608098856213223
Energy: 0.525418467217334
Energy: 0.5547226913272981
Energy: 0.48872910066112046
Energy: 0.5437244444477433
Energy: 0.5252027909086682
Energy: 0.5559150177948875
Energy: 0.510748035872241
Energy: 0.4871391834001697
Energy: 0.543357266123615
Energy: 0.5609025634576854
Energy: 0.5556749447975582
Energy: 0.5567313953210579
Energy: 0.5299526967099946
Energy: 0.537787573642569
Energy: 0.590682846724649
Energy: 0.5902488629454861
Energy: 0.5896312799854674
Energy: 0.5305376713878135
Energy: 0.5368794572785202
Energy: 0.5888799116872229
Energy: 0.5884756143568194
Energy: 0.5956977682648987
Energy: 0.5228422903797563
Energy: 0.5897639683244007
Energy: 0.5889013219673829
Energy: 0.5359055318544589
Energy: 0.6475792744526687
Energy: 0.523303518563057
Energy: 0.5711307337326933
Energy: 0.5775076003783456
Energy: 0.5326266355815755

minimum gb energy = 0.4871242361498629 eV
minimum distance =  2.54990936918948 Angstroms
sigma value = 293


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

Energy: 0.45877541840181085
Energy: 0.45918581884948
Energy: 0.5187204484739335
Energy: 0.5729211757119134
Energy: 0.4593062336517443
Energy: 0.4594108164830717
Energy: 0.5727779766260279
Energy: 0.5181293829858501
Energy: 0.5728666649234603
Energy: 0.459323995450883
Energy: 0.4589778187658124
Energy: 0.5474832252948766
Energy: 0.5472681813137535
Energy: 0.5482123561926833
Energy: 0.6365587268109691
Energy: 0.5870317118559787
Energy: 0.5473159803207959
Energy: 0.4596224709833277
Energy: 0.5478051770896175
Energy: 0.6365543947697043
Energy: 0.5728336586523172
Energy: 0.5477180790468753
Energy: 0.5472374220748201
Energy: 0.4672755937006824
Energy: 0.587128338231185
Energy: 0.572963368095888
Energy: 0.5473292023226666
Energy: 0.5474537023430619
Energy: 0.5185594550174863
Energy: 0.5183469969944886
Energy: 0.5182048244062646
Energy: 0.45937344634695554
Energy: 0.45909759590787846
Energy: 0.5730716853466576
Energy: 0.46717219262286
Energy: 0.5201703942289208
Energy: 0.4591815436683236
Energy: 0.4593344835583064
Energy: 0.5729592023721887
Energy: 0.4646639146918922
Energy: 0.6372315447255015
Energy: 0.4593084444405694
Energy: 0.4590047715284775
Energy: 0.4945968057018493
Energy: 0.46719867784443914
Energy: 0.5482697516356849
Energy: 0.45917210652053503
Energy: 0.4589450209769167
Energy: 0.4676641924602429
Energy: 0.5475837379395312
Energy: 0.46806627750322755
Energy: 0.5191850359346384
Energy: 0.5728358160538659
Energy: 0.5491632106095867
Energy: 0.4591888788931838
Energy: 0.5481216368857581
Energy: 0.5186912165794436
Energy: 0.5731298881470889
Energy: 0.5483677634986339
Energy: 0.5520417954373738
Energy: 0.5492151031721099
Energy: 0.46601980258953857
Energy: 0.5727850753326732
Energy: 0.5474933251520104
Energy: 0.5262875473623352
Energy: 0.5478927512608615
Energy: 0.46494659984617126
Energy: 0.572930267361251
Energy: 0.5474718062828537
Energy: 0.46776731332697785
Energy: 0.5729385230336431
Energy: 0.5894657586784681
Energy: 0.4672746663078835
Energy: 0.4589276359640815
Energy: 0.4595471465280953
Energy: 0.5728686505888605
Energy: 0.5879435941152326
Energy: 0.46725832918264193
Energy: 0.4589708025428826
Energy: 0.45941778982859993
Energy: 0.4673694654504115
Energy: 0.45954379307618765
Energy: 0.5477473684156137
Energy: 0.4591221543343121
Energy: 0.5874446445657796
Energy: 0.46771642549542936
Energy: 0.6350100271594025
Energy: 0.5477743842217692
Energy: 0.45901907974210887
Energy: 0.5875343217709629
Energy: 0.5487848240750407
Energy: 0.467382367682987
Energy: 0.5882154609451944
Energy: 0.587573688739419
Energy: 0.5723091608025664
Energy: 0.5490709791706122
Energy: 0.4673235800082571
Energy: 0.587063639986935
Energy: 0.5883539500003769
Energy: 0.5478166835382887
Energy: 0.45933912442436403
Energy: 0.5728353611805959
Energy: 0.5726159973513355
Energy: 0.5873789707637882
Energy: 0.5883657386692058
Energy: 0.45928678672123163
Energy: 0.5729366318699438
Energy: 0.46590955347855295
Energy: 0.5874936734359454
Energy: 0.5882635832915531
Energy: 0.4588977452822736
Energy: 0.5725630434765829
Energy: 0.5193416474637668
Energy: 0.5730302205105607
Energy: 0.4593598432960214
Energy: 0.45950877192128453
Energy: 0.5724680270780091
Energy: 0.46746356970349323
Energy: 0.5727029989280524
Energy: 0.45926714591149326
Energy: 0.586847797533606
Energy: 0.5474363693724338
Energy: 0.5472800620529514
Energy: 0.5475859140415525
Energy: 0.6365916357238549
Energy: 0.5869622350235845
Energy: 0.547332902881652
Energy: 0.4594546103873219
Energy: 0.5476210763782469
Energy: 0.6368518887055269
Energy: 0.5728424926483243
Energy: 0.5479483198767268
Energy: 0.5471849396763081
Energy: 0.46732638502435686
Energy: 0.5870941495560277
Energy: 0.5729307651254139
Energy: 0.5473725399528566
Energy: 0.5474631256224659
Energy: 0.5186593857532087
Energy: 0.5181227312403335
Energy: 0.5183024261641362
Energy: 0.4592549540231765
Energy: 0.4592272643512976
Energy: 0.5731176098636074
Energy: 0.5187471588655207
Energy: 0.5200512467985089
Energy: 0.45906557340442605
Energy: 0.4592793210472236
Energy: 0.5730340469909198
Energy: 0.517879612930007
Energy: 0.6372296957701536
Energy: 0.45925942689204136
Energy: 0.4590013465825164
Energy: 0.4675566500340506
Energy: 0.46714596823698545
Energy: 0.5477371455205801
Energy: 0.4592202801046055
Energy: 0.45895079795719407
Energy: 0.4673129359762711
Energy: 0.5476221806097762
Energy: 0.4687372183313908
Energy: 0.5195212030382992
Energy: 0.5727651187349967
Energy: 0.5490034625923009
Energy: 0.4610308054194444
Energy: 0.5479921335553298
Energy: 0.5189136400636352
Energy: 0.5728516649612059
Energy: 0.5480956988812253
Energy: 0.5520431623090527
Energy: 0.5875238258751562
Energy: 0.4660689669925127
Energy: 0.5727513714622625
Energy: 0.5475754269843535
Energy: 0.4940981155235939
Energy: 0.5874258839744283
Energy: 0.4649726116093731
Energy: 0.5729146319582709
Energy: 0.5475834763255527
Energy: 0.4674773017172666
Energy: 0.5728433380659825
Energy: 0.5888863510227333
Energy: 0.4671915323310484
Energy: 0.45893247676427
Energy: 0.459387261937974
Energy: 0.5727849229042344
Energy: 0.5876263746770286
Energy: 0.4671530094977888
Energy: 0.4589743664212821
Energy: 0.4590286138972247
Energy: 0.46699990596400676
Energy: 0.45906707877173075
Energy: 0.5476981491626937
Energy: 0.4591642413794367
Energy: 0.5876115401295628
Energy: 0.46771137400153284
Energy: 0.6355341258358482
Energy: 0.5476927075303153
Energy: 0.45906467261952344
Energy: 0.548291433432213
Energy: 0.5494537550652288
Energy: 0.4671464345265329
Energy: 0.588009550087504
Energy: 0.5876742326209724
Energy: 0.5725505254692208
Energy: 0.5493019287448195
Energy: 0.4673569225533513
Energy: 0.5871560835804492
Energy: 0.5874752074995855
Energy: 0.5478350567464699
Energy: 0.4593122749041228
Energy: 0.5730639642103847
Energy: 0.5726624823126427
Energy: 0.5475781853061927
Energy: 0.5883991135247315
Energy: 0.45926191950314654
Energy: 0.572873018827655
Energy: 0.46602121438304867
Energy: 0.5480445376590385
Energy: 0.5884073903205684

minimum gb energy = 0.45877541840181085 eV
minimum distance =  2.56300068066674 Angstroms
sigma value = 15


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

Energy: 0.8578893478183957
Energy: 0.505278256223455
Energy: 0.5680253241887249
Energy: 0.5588028962128637
Energy: 0.5034854410389191
Energy: 0.5004013226018126
Energy: 0.5600222059642194
Energy: 0.5376341957995902
Energy: 0.5566884062604656
Energy: 0.5005647776834088
Energy: 0.5928045722848668
Energy: 0.5599711691414142
Energy: 0.5053289318335784
Energy: 0.5008282206031929
Energy: 0.5608027335853379
Energy: 0.5605607304603003
Energy: 0.5481696960393055
Energy: 0.5030830940924932
Energy: 0.5628166325260668
Energy: 0.5608387739530987
Energy: 0.5592893895730886
Energy: 0.5918037115634657
Energy: 0.5610661809093053
Energy: 0.5233188230505746
Energy: 0.5525915866125707
Energy: 0.5592015129090334
Energy: 0.5905504754922237
Energy: 0.5601769427932818
Energy: 0.5227262275030382
Energy: 0.5616263761760029
Energy: 0.5683222160561457
Energy: 0.5489175380813045
Energy: 0.5479319402258088
Energy: 0.5596014561480135
Energy: 0.5617785212615515
Energy: 0.5377945460515557
Energy: 0.5473815915386611
Energy: 0.563965493044279
Energy: 0.559267843090579
Energy: 0.5621341563272355
Energy: 0.5602887529149446
Energy: 0.5628283930367683
Energy: 0.5998352206340337
Energy: 0.4979221145558536
Energy: 0.5657805227566173
Energy: 0.560205180493691
Energy: 0.5631665681737423
Energy: 0.5351934164380142
Energy: 0.4982007060103256
Energy: 0.5659214639035204
Energy: 0.611439687056957
Energy: 0.49753141960566644
Energy: 0.4976561217564429
Energy: 0.5604936655317998
Energy: 0.6052389091537831
Energy: 0.5533013850602891
Energy: 0.49695689554963746
Energy: 0.49753969017517374
Energy: 0.5604904900104214
Energy: 0.6048765925284322
Energy: 0.49780857737248463
Energy: 0.4966821456601452
Energy: 0.5054895763160063
Energy: 0.5610518943171862
Energy: 0.6215908550788217
Energy: 0.49775934200767924
Energy: 0.49752183671421757
Energy: 0.5041774537109002
Energy: 0.5610303319851523
Energy: 0.5781582888667622
Energy: 0.5508282860979082
Energy: 0.4966912315229508
Energy: 0.4988411784761908
Energy: 0.6087166615156592
Energy: 0.5602070992597218
Energy: 0.5627039738790318
Energy: 0.496591886280019
Energy: 0.5369488979028111
Energy: 0.5542922216823056
Energy: 0.5632303426226474
Energy: 0.5011119565850406
Energy: 0.6149619864012137
Energy: 0.5553212616035713
Energy: 0.5599567558833394
Energy: 0.4977716305827542
Energy: 0.500938632998549
Energy: 0.6146884363820025
Energy: 0.5538323764730863
Energy: 0.5829741905359601
Energy: 0.49781084396863845
Energy: 0.576722937235076
Energy: 0.5006977265889448
Energy: 0.4966645107000875
Energy: 0.4966908774850273
Energy: 0.4962373375372002
Energy: 0.5024044459556297
Energy: 0.5009415989297791
Energy: 0.49665767892541646
Energy: 0.49643253349284955
Energy: 0.49597782665105056
Energy: 0.4983423113444451
Energy: 0.560225692178757
Energy: 0.5047113567028012
Energy: 0.49686559375172534
Energy: 0.4967049738777221
Energy: 0.5909266206340988
Energy: 0.5607825608757745
Energy: 0.5054483483671878
Energy: 0.4983924653224232
Energy: 0.4965535753310015
Energy: 0.5520668751695824
Energy: 0.5612735922483287
Energy: 0.49812747361152193
Energy: 0.4973706138374902
Energy: 0.5601363226664262
Energy: 0.5522928352502589
Energy: 0.5613430497986727
Energy: 0.49765616371935223
Energy: 0.497721006044274
Energy: 0.5604117266426499
Energy: 0.5233990714202306
Energy: 0.560130525773363
Energy: 0.5042072050842521
Energy: 0.5007562426775782
Energy: 0.6552382153425851
Energy: 0.5564518556867701
Energy: 0.5596618315995288
Energy: 0.5025452737432557
Energy: 0.5002701398430706
Energy: 0.6543520351412221
Energy: 0.502258776732284
Energy: 0.559380748335279
Energy: 0.49774894266618447
Energy: 0.5611896357105041
Energy: 0.56021501222039
Energy: 0.502911850755795
Energy: 0.5593177792162094
Energy: 0.5320432591159332
Energy: 0.5826926542868192
Energy: 0.5601047587791579
Energy: 0.5383762615108554
Energy: 0.5240809587505536
Energy: 0.5600852846126145
Energy: 0.586388903194295
Energy: 0.5487547570283432
Energy: 0.5389130926970869
Energy: 0.5366077449206296
Energy: 0.5600216043385308
Energy: 0.5907145368446581
Energy: 0.5601884626418455
Energy: 0.5603027879111133
Energy: 0.5605611190305804
Energy: 0.5529186037754202
Energy: 0.5611153110219713
Energy: 0.5281723948094956
Energy: 0.5597048994297071
Energy: 0.578847254759181
Energy: 0.5528228979824458
Energy: 0.5613942914427514
Energy: 0.4958502262624571
Energy: 0.5393209711174058
Energy: 0.5326901791375745
Energy: 0.6069946902218339
Energy: 0.5600683907079549
Energy: 0.5532495264838926
Energy: 0.5384345268137541
Energy: 0.5290639519563622
Energy: 0.560150372746477
Energy: 0.5591590174575727
Energy: 0.5530330581544677
Energy: 0.6125282591600361
Energy: 0.6180361034810999
Energy: 0.6071909772395675
Energy: 0.49830540201937146
Energy: 0.4985944619394527
Energy: 0.5905297361365034
Energy: 0.6163677270149738
Energy: 0.619085940179414
Energy: 0.49930635630666426
Energy: 0.4989621359050303
Energy: 0.5038141413517321
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Energy: 0.5909026743648625
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Energy: 0.5599003984291675
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Energy: 0.5589720163368541
Energy: 0.582552160890598
Energy: 0.545236507352444
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Energy: 0.6033312733643452
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Energy: 0.49624165150919175
Energy: 0.49792699717395256
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Energy: 0.6029390783647104
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Energy: 0.6072783558353837
Energy: 0.49729259427756234
Energy: 0.4962307640365966
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Energy: 0.6026618608745951
Energy: 0.4981031360723878
Energy: 0.4962608289486216
Energy: 0.5770452484299846
Energy: 0.5372497683359855
Energy: 0.5925223933629391
Energy: 0.505795127958498
Energy: 0.4972024516856542
Energy: 0.4984468004332748
Energy: 0.5895096858818704
Energy: 0.5560696733856922
Energy: 0.5053788932326326
Energy: 0.4968070321820649
Energy: 0.4966145082126634
Energy: 0.5520581423793933
Energy: 0.560737067944144
Energy: 0.49768862826466315
Energy: 0.49717015464709907
Energy: 0.5608880391968866
Energy: 0.5525264869178664
Energy: 0.5466662009465452
Energy: 0.49772169658251003
Energy: 0.4962444367755051
Energy: 0.5607633293894787
Energy: 0.49836460647631126
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Energy: 0.5610204397216089
Energy: 0.5005462557234418
Energy: 0.5593076908292703
Energy: 0.5023594819002392
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Energy: 0.5003422789620151
Energy: 0.5592340059208151
Energy: 0.5526515418788915
Energy: 0.5591488850120838
Energy: 0.5531878165524382
Energy: 0.5373186857446327
Energy: 0.5223275554679742
Energy: 0.5600658366914356
Energy: 0.5906536146789544
Energy: 0.5595095833343994
Energy: 0.5372874671644223
Energy: 0.5234041788080802
Energy: 0.5601062352317122
Energy: 0.5909991712403598
Energy: 0.5596687081637837
Energy: 0.5603489166427009
Energy: 0.561116972042002
Energy: 0.55597929278507
Energy: 0.5609795558076001
Energy: 0.5181634330626894
Energy: 0.5602543882847544
Energy: 0.5764622321056105
Energy: 0.5526109534081919
Energy: 0.5608883087611438
Energy: 0.49565520349993003
Energy: 0.5705416684795976
Energy: 0.5613464766140427
Energy: 0.6012585356165886
Energy: 0.559261875421833
Energy: 0.5522279684043484
Energy: 0.5716944538764664
Energy: 0.5591022570654146
Energy: 0.620424128122968
Energy: 0.5599685591688465
Energy: 0.5521943619150996
Energy: 0.5812180142723395
Energy: 0.614120626416366
Energy: 0.6168229343738182
Energy: 0.560674150685472
Energy: 0.49901393874650435
Energy: 0.5589430718708162
Energy: 0.6188579850750757
Energy: 0.6168590517071316
Energy: 0.593862433626596
Energy: 0.49878330019737005
Energy: 0.5041785205374457
Energy: 0.5602768864738676
Energy: 0.4965785788692236
Energy: 0.4975927080384366
Energy: 0.49681743742279805
Energy: 0.5048197389381617
Energy: 0.5597178947407252
Energy: 0.49633563876835896
Energy: 0.49889228673660546
Energy: 0.5030667496841232
Energy: 0.4961203732365325
Energy: 0.559999128370118
Energy: 0.5555001086229125
Energy: 0.4982082313462404
Energy: 0.49717662434439425
Energy: 0.5363986940149531
Energy: 0.5593580971853493
Energy: 0.5548363653487384
Energy: 0.4976936498224342
Energy: 0.49710728866964027
Energy: 0.5746604177546626
Energy: 0.5531616556134501
Energy: 0.545411670442457
Energy: 0.5008508790995109
Energy: 0.5776135560216082
Energy: 0.5743839120366856
Energy: 0.5535069224954737
Energy: 0.5376164216374923
Energy: 0.5004514172063272
Energy: 0.5506096213376608
Energy: 0.49758134936837495
Energy: 0.4987877547871851
Energy: 0.554491418315512
Energy: 0.614002421779184
Energy: 0.5466900958289727
Energy: 0.49741173783610315
Energy: 0.4991393670371251
Energy: 0.5558322962202243
Energy: 0.6060094956079638
Energy: 0.5473046256867388
Energy: 0.49662799031820976
Energy: 0.5000449560712775
Energy: 0.49653222605767755
Energy: 0.6184717011280616
Energy: 0.49710501707688215
Energy: 0.49780310156252683
Energy: 0.5069133466959693
Energy: 0.4965890079395322
Energy: 0.6191570991599524
Energy: 0.5037436624970811
Energy: 0.4978274699195669
Energy: 0.49727124698933106
Energy: 0.5555469928436387
Energy: 0.5606774834695559
Energy: 0.5954215660038495
Energy: 0.4974113587870937
Energy: 0.49780000220474
Energy: 0.5560248645254314
Energy: 0.5607129846527327
Energy: 0.6142753878489303
Energy: 0.5036225645560135
Energy: 0.5600867678125627
Energy: 0.5605506081020892
Energy: 0.5236757214275894
Energy: 0.5024511782650108
Energy: 0.5036823087437641
Energy: 0.5601302863389002
Energy: 0.607009695232812
Energy: 0.5393837874242071
Energy: 0.5022957336307238

minimum gb energy = 0.49565520349993003 eV
minimum distance =  2.51996419705543 Angstroms
sigma value = 437


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

Energy: 0.6624698421743586
Energy: 0.5616263087329921
Energy: 0.5576746966661016
Energy: 0.6180726082242046
Energy: 0.5849355758605087
Energy: 0.6631920049170614
Energy: 0.6011493894840161
Energy: 0.5597921406030282
Energy: 0.6181321095086652
Energy: 0.5790587945059366
Energy: 0.5467015938436823
Energy: 0.5991777051007772
Energy: 0.5620724948651257
Energy: 0.5752076657892725
Energy: 0.5984568595529614
Energy: 0.5513340974982115
Energy: 0.5430950092597362
Energy: 0.5594685731396726
Energy: 0.599026733892269
Energy: 0.594591933862136
Energy: 0.5346663813412561
Energy: 0.5674303765281034
Energy: 0.5433772684855991
Energy: 0.5119550757516589
Energy: 0.524087541026154
Energy: 0.5339855399202602
Energy: 0.6125750234174319
Energy: 0.5426809726438212
Energy: 0.5109057343165038
Energy: 0.5242733558562755
Energy: 0.5099670828572085
Energy: 0.5132562459843738
Energy: 0.5503316523066974
Energy: 0.6104301329012617
Energy: 0.5338522950090994
Energy: 0.511229287970008
Energy: 0.5122994131910698
Energy: 0.5419882336553755
Energy: 0.5779824755112108
Energy: 0.5222207972611653
Energy: 0.5879175431659075
Energy: 0.6063815461251855
Energy: 0.6241851321343488
Energy: 0.506850026881201
Energy: 0.5489905771198881
Energy: 0.5882256075846954
Energy: 0.5988061476588038
Energy: 0.510876367219218
Energy: 0.5071282086326812
Energy: 0.5629715188016703
Energy: 0.5154483844137348
Energy: 0.5079745729841433
Energy: 0.539799450137258
Energy: 0.5927174830882728
Energy: 0.6641889229697232
Energy: 0.5153232424643016
Energy: 0.5002681740780407
Energy: 0.5337260757345381
Energy: 0.5889350255150249
Energy: 0.6638991008294706
Energy: 0.5428834002435576
Energy: 0.5358916902631736
Energy: 0.5331484631890706
Energy: 0.596382039506651
Energy: 0.6113722563036256
Energy: 0.5429269853692222
Energy: 0.5347665172746593
Energy: 0.5340637567577877
Energy: 0.5688531245430555
Energy: 0.6114758245706372
Energy: 0.5670789554683723
Energy: 0.5433435098690628
Energy: 0.5071385123197404
Energy: 0.6142650633443196
Energy: 0.606966945425118
Energy: 0.5622928996835891
Energy: 0.533818976187728
Energy: 0.5077262661953352
Energy: 0.6128388243423356
Energy: 0.6073835766511667
Energy: 0.5187158614208338
Energy: 0.5938192748908042
Energy: 0.604571029978612
Energy: 0.5420208936231719
Energy: 0.5099355283229126
Energy: 0.5081636281892213
Energy: 0.5928074188956935
Energy: 0.6049827624470518
Energy: 0.498811261475133
Energy: 0.5085740128270423
Energy: 0.551672349536444
Energy: 0.625800155489026
Energy: 0.4937535813376409
Energy: 0.5773076405198287
Energy: 0.6023394072358029
Energy: 0.5840800106792202
Energy: 0.5972124018134095
Energy: 0.49435285647903143
Energy: 0.6666831647725796
Energy: 0.60193358463748
Energy: 0.4912466078394311
Energy: 0.49097273031149113
Energy: 0.6049714050796239
Energy: 0.6260008425308394
Energy: 0.49022144776302917
Energy: 0.4909247212332769
Energy: 0.4910217418531533
Energy: 0.6047638488699101
Energy: 0.6250726178276816
Energy: 0.5109451352187501
Energy: 0.4922561229932776
Energy: 0.49592235470953006
Energy: 0.49068356138513947
Energy: 0.6344820373591129
Energy: 0.4913895045679684
Energy: 0.49114843393626695
Energy: 0.49774876165141607
Energy: 0.5650034071523252
Energy: 0.6067175925391132
Energy: 0.491504617416028
Energy: 0.49032699972080723
Energy: 0.4922284602088546
Energy: 0.6134931381296329
Energy: 0.5983613543671048
Energy: 0.6028470181042076
Energy: 0.4901112657063299
Energy: 0.49307567204324637
Energy: 0.6134667277991729
Energy: 0.5996501455109498
Energy: 0.5906725890310084
Energy: 0.5581534231359866
Energy: 0.6015648307137418
Energy: 0.6066760444417852
Energy: 0.49015977132079996
Energy: 0.4987919557775238
Energy: 0.5586534919506961
Energy: 0.6016961848613193
Energy: 0.5719116658240851
Energy: 0.48984400544254064
Energy: 0.4937085945941288

minimum gb energy = 0.48984400544254064 eV
minimum distance =  2.52541944428976 Angstroms
sigma value = 33