Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_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=4.050000071525574
cohesive_energy=3.360264240729233
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: -4.3766955338e-11 eV

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

Energy: 0.01170550257256459
Energy: 0.20030368012976874
Energy: 0.20030368012976874
Energy: 0.01170550257371626
Energy: 0.20030368012746538
Energy: 0.20030368012861707
Energy: 0.01170550257256459
Energy: 0.20030368012976874
Energy: 0.20030368012861707
Energy: 0.01170550257371626
Energy: 0.20000710754439452
Energy: 0.012071322271227387
Energy: 0.20078457881307235
Energy: 0.20000710754439452
Energy: 0.012071322270075716
Energy: 0.20078457881307235
Energy: 0.20000710754439452
Energy: 0.012071322271227387
Energy: 0.20078457881307235
Energy: 0.20000710754439452
Energy: 0.5918322523431548
Energy: 0.10531680494061983
Energy: 0.10531680493946817
Energy: 0.5917822727660547
Energy: 0.10531680493946817
Energy: 0.10531680493946817
Energy: 0.5917842188530185
Energy: 0.10531680494061983
Energy: 0.3422147270288232
Energy: 0.5917842812538469
Energy: 0.20000710754324283
Energy: 0.200784578814224
Energy: 0.012071322271227387
Energy: 0.20000710754439452
Energy: 0.20078457881307235
Energy: 0.012071322271227387
Energy: 0.20000710754324283
Energy: 0.20078457881307235
Energy: 0.012071322271227387
Energy: 0.20000710754324283
Energy: 0.01170550257256459
Energy: 0.20030368012976874
Energy: 0.20030368012976874
Energy: 0.01170550257256459
Energy: 0.20030368012746538
Energy: 0.20030368012861707
Energy: 0.01170550257256459
Energy: 0.20030368012976874
Energy: 0.20030368012976874
Energy: 0.01170550257256459
Energy: 0.20000710754324283
Energy: 0.012071322271227387
Energy: 0.200784578814224
Energy: 0.20000710754324283
Energy: 0.012071322271227387
Energy: 0.200784578814224
Energy: 0.20000710754439452
Energy: 0.012071322271227387
Energy: 0.200784578814224
Energy: 0.20000710754324283
Energy: 0.5917826621314736
Energy: 0.2629680451883275
Energy: 0.10531680493946817
Energy: 0.5917842154168031
Energy: 0.38220403560788035
Energy: 0.10531680494061983
Energy: 0.5917841908775798
Energy: 0.10531680493946817
Energy: 0.10531680493946817
Energy: 0.5917841065379712

minimum gb energy = 0.01170550257256459 eV
minimum distance =  2.6510808913041 Angstroms
sigma value = 3


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

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Energy: 0.6162752382120094
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Energy: 0.4529524968254251
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Energy: 0.612913086746915
Energy: 0.4778706125316133
Energy: 0.5287053114754563
Energy: 0.4843426227479516
Energy: 0.5961103645788147
Energy: 0.5287053114771489
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Energy: 0.5961103645793788
Energy: 0.5287053114740458
Energy: 0.48434262274682327
Energy: 0.596110364585303
Energy: 0.5287053114638901
Energy: 0.5448864220426415
Energy: 0.6064861651196756
Energy: 0.595451145220298
Energy: 0.5485800528985837
Energy: 0.6064861651241891
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Energy: 0.5448864220499761
Energy: 0.6064861651224965
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Energy: 0.6231620340670594
Energy: 0.5672016512320047
Energy: 0.4537204364360354
Energy: 0.6231620340670594

minimum gb energy = 0.43564493056977077 eV
minimum distance =  2.54566008736475 Angstroms
sigma value = 75


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

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Energy: 0.47053712007083737
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minimum gb energy = 0.46562768012508854 eV
minimum distance =  2.54459160898275 Angstroms
sigma value = 105


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

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Energy: 0.493652860605779
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Energy: 0.5094192634387674
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Energy: 0.5194377506308926
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Energy: 0.5153837106573586
Energy: 0.549610424105784
Energy: 0.523312731840243
Energy: 0.515383710657528
Energy: 0.49651072206558755
Energy: 0.5411839706703538
Energy: 0.5304821266343295
Energy: 0.496510722065898
Energy: 0.541183970667248
Energy: 0.5304821266327766
Energy: 0.4965107220660393
Energy: 0.5411839706701844
Energy: 0.5304821266326072
Energy: 0.496510722065898
Energy: 0.5246784526513132
Energy: 0.5208257665288525
Energy: 0.5109991553258727
Energy: 0.5246784526524144
Energy: 0.5208257665307161
Energy: 0.5109991553266634
Energy: 0.5246784526514826
Energy: 0.5208257665289937
Energy: 0.5109991553258727
Energy: 0.5246784526530355
Energy: 0.5398560553806913
Energy: 0.52155759286481
Energy: 0.5746329908879465
Energy: 0.53985605538055
Energy: 0.5215575928644993
Energy: 0.5746329908870148
Energy: 0.5398560553806913
Energy: 0.5215575928643581
Energy: 0.5746329908879465
Energy: 0.53985605538055
Energy: 0.5392893477764232
Energy: 0.5261759734068071
Energy: 0.4940274843541916
Energy: 0.5392893477787385
Energy: 0.5261759734066659
Energy: 0.4940274843541916
Energy: 0.5392893477771855
Energy: 0.5261759734068071
Energy: 0.49402748435357036
Energy: 0.5392893477773549
Energy: 0.5458820738622467
Energy: 0.5371050311591364
Energy: 0.5273075404575763
Energy: 0.5458820738636585
Energy: 0.5371050311588258
Energy: 0.5273075404565035
Energy: 0.5458820738622467
Energy: 0.5371050311593059
Energy: 0.5273075404569553
Energy: 0.5458820738636585
Energy: 0.557356249095237
Energy: 0.5541906319419986
Energy: 0.5587332118647381
Energy: 0.557356249095237
Energy: 0.5541906319444831
Energy: 0.5587332118655287
Energy: 0.557356249095237
Energy: 0.5541906319418574
Energy: 0.5587332118647381
Energy: 0.5573562490949263
Energy: 0.5475788656023302
Energy: 0.49586269929950777
Energy: 0.5387213955686148
Energy: 0.5475788656004666
Energy: 0.49586269929933835
Energy: 0.5387213955676831
Energy: 0.5475788656032621
Energy: 0.49586269929950777
Energy: 0.5387213955693771
Energy: 0.5475788656024715

minimum gb energy = 0.49365286060560964 eV
minimum distance =  2.54499734271261 Angstroms
sigma value = 165


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

Energy: 0.493619548212416
Energy: 0.502166574109438
Energy: 0.5024773319757432
Energy: 0.46933238727930465
Energy: 0.502166574109971
Energy: 0.5024773319757432
Energy: 0.4936195482118829
Energy: 0.502166574109971
Energy: 0.50247733197521
Energy: 0.46933238727930465
Energy: 0.5648467356739091
Energy: 0.4704646312772096
Energy: 0.5778967278270972
Energy: 0.5648467356803066
Energy: 0.4704646312761433
Energy: 0.577896727825498
Energy: 0.5648467356781741
Energy: 0.4704646312772096
Energy: 0.5778967278276304
Energy: 0.564846735677108
Energy: 0.48184526209295797
Energy: 0.4850555065371899
Energy: 0.4775645415492701
Energy: 0.4818452620924248
Energy: 0.48505550653772295
Energy: 0.4774622262888192
Energy: 0.481845262093491
Energy: 0.4850555065355905
Energy: 0.4775645415519357
Energy: 0.4818452620913586
Energy: 0.5591143047901879
Energy: 0.5637552185329501
Energy: 0.47761547281519245
Energy: 0.5591143047928535
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Energy: 0.5637552185318838
Energy: 0.47761547281785804
Energy: 0.5591143047923204
Energy: 0.5138587476396299
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Energy: 0.4910572628597455
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Energy: 0.5138587476470936
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Energy: 0.5613324846433579
Energy: 0.544369410888404
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Energy: 0.5443694108868046
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Energy: 0.5443694108873378
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Energy: 0.5902614047602879
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Energy: 0.5902614047618872
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Energy: 0.5144785353310286
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Energy: 0.5757187582402608
Energy: 0.4922472553679938
Energy: 0.5436727073987271
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Energy: 0.5436727073955282
Energy: 0.5757187582402608
Energy: 0.4922472553679938
Energy: 0.4900654986065709
Energy: 0.4905953099132479
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Energy: 0.49105305794592874
Energy: 0.490595309913781
Energy: 0.5024990209325108
Energy: 0.49006549860763715
Energy: 0.49059530991538036
Energy: 0.5390448129200105
Energy: 0.49105305794806126
Energy: 0.5437267888595098
Energy: 0.47759015731059734
Energy: 0.5394243886784172
Energy: 0.5437267888579105
Energy: 0.47759015731059734
Energy: 0.5394243886805496
Energy: 0.5437267888616423
Energy: 0.47759015731059734
Energy: 0.539424388681616
Energy: 0.5437267888611093
Energy: 0.5039919834253598
Energy: 0.47819542287191874
Energy: 0.5077902520465988
Energy: 0.5039919834237606
Energy: 0.47819542287191874
Energy: 0.5077902520460656
Energy: 0.5039919834237606
Energy: 0.4781954228724518
Energy: 0.5077902519757181
Energy: 0.503991983425893
Energy: 0.5378659055062203
Energy: 0.536854014583383
Energy: 0.47063667655876923
Energy: 0.5378659055067535
Energy: 0.536854014583916
Energy: 0.47063667655876923
Energy: 0.5378659055078197
Energy: 0.536854014583916
Energy: 0.47063667655823604
Energy: 0.5378659055062203
Energy: 0.4693323872750398
Energy: 0.502166574109971
Energy: 0.5024773319784089
Energy: 0.4693323872755729
Energy: 0.5021665741105042
Energy: 0.5024773319773426
Energy: 0.4693323872755729
Energy: 0.5021665741105042
Energy: 0.5024773319762762
Energy: 0.4693323872755729

minimum gb energy = 0.4693323872750398 eV
minimum distance =  2.63464295394811 Angstroms
sigma value = 41


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

Energy: 0.5505637584848225
Energy: 0.4350799739687272
Energy: 0.4351180770303809
Energy: 0.4971880199667621
Energy: 0.4350799739604534
Energy: 0.43511807703617267
Energy: 0.5505637584862516
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Energy: 0.4529900129157676
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Energy: 0.42325249654653746
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Energy: 0.45570440217599434
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Energy: 0.42316448629899944
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Energy: 0.5400780803645888
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Energy: 0.47478645230292527
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Energy: 0.4747864522998414
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Energy: 0.47414120379121955
Energy: 0.4358086032989479
Energy: 0.5153507934022715
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Energy: 0.43580860329255455
Energy: 0.5153507934068222
Energy: 0.4741412037931
Energy: 0.41557855458190945
Energy: 0.4751590068144913
Energy: 0.42772466544190435
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Energy: 0.4357204463437057
Energy: 0.43509150209664815
Energy: 0.41557855457427495
Energy: 0.47515900681016643
Energy: 0.4277246654493509
Energy: 0.4155785545792392
Energy: 0.4246832057254138
Energy: 0.4486727592942807
Energy: 0.4485699589744299
Energy: 0.4246832057274823
Energy: 0.44865523183174283
Energy: 0.448514062987013
Energy: 0.42468320573079177
Energy: 0.44867275928664613
Energy: 0.44856995897856683
Energy: 0.42468320573763646
Energy: 0.42495883619243774
Energy: 0.4457392932157079
Energy: 0.42340565502870453
Energy: 0.42495883619367875
Energy: 0.445738487133983
Energy: 0.4234056550254326
Energy: 0.42495883619161035
Energy: 0.44573929321198463
Energy: 0.42340565503513555
Energy: 0.4249588361940925
Energy: 0.4545831966329503
Energy: 0.44291431037797185
Energy: 0.4677991336842017
Energy: 0.4545831966331383
Energy: 0.442894514593741
Energy: 0.46779913368153153
Energy: 0.45458319663170915
Energy: 0.4429143103827105
Energy: 0.46779913368897796
Energy: 0.45458319663562047
Energy: 0.48269555048490004
Energy: 0.44688807132991276
Energy: 0.43873157656066913
Energy: 0.4649460444803145
Energy: 0.44695692995289416
Energy: 0.43873157655198164
Energy: 0.4631456145952411
Energy: 0.44695692995639175
Energy: 0.43873157654720535
Energy: 0.4364803681209742

minimum gb energy = 0.41557855457427495 eV
minimum distance =  2.63199942800141 Angstroms
sigma value = 185


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

Energy: 0.2552860844509468
Energy: 0.24486970404417271
Energy: 0.24480040449691282
Energy: 0.21062620958940398
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Energy: 0.16696708872504812
Energy: 0.25743766327953194
Energy: 0.297970355818101
Energy: 0.23360084526247343
Energy: 0.24291924639938445
Energy: 0.24580999601705333
Energy: 0.23360084525463862
Energy: 0.24291924639791126
Energy: 0.24580999601852657
Energy: 0.23360084526345556
Energy: 0.2429192463991389
Energy: 0.24580999601386133
Energy: 0.23360084526321007
Energy: 0.1671700847755967
Energy: 0.16759659706311342
Energy: 0.25712605676575545
Energy: 0.16717008477854312
Energy: 0.16759659706262237
Energy: 0.2571260567650188
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Energy: 0.25712605676280903
Energy: 0.16717008477387796
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Energy: 0.25669480223893826
Energy: 0.22079459968134454
Energy: 0.2673219760087729
Energy: 0.2566948022367284
Energy: 0.22079459968183562

minimum gb energy = 0.1665596458765439 eV
minimum distance =  2.66668030481274 Angstroms
sigma value = 33


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

Energy: 0.4298716695818566
Energy: 0.43733117198126853
Energy: 0.43749832469005795
Energy: 0.407727609774258
Energy: 0.4373311719772248
Energy: 0.43749832468871
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Energy: 0.39149380809264595
Energy: 0.43694929879465016
Energy: 0.42664572726111377
Energy: 0.43213319216050294
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Energy: 0.4214552134090841
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Energy: 0.42340583406908733
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Energy: 0.43914924911027414
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Energy: 0.41828223444962576
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Energy: 0.4042044148921764
Energy: 0.39305553048880504
Energy: 0.4412585145883437
Energy: 0.4042044148948723

minimum gb energy = 0.3694901128302413 eV
minimum distance =  2.53702749374481 Angstroms
sigma value = 219


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

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Energy: 0.5385521566126441
Energy: 0.4470484066851172
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Energy: 0.4540082510763829
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Energy: 0.5294631748800341
Energy: 0.5384243543362172
Energy: 0.4469650523883627
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Energy: 0.5294631748791421
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Energy: 0.5284926431324435
Energy: 0.5505034131838844
Energy: 0.5140839754998634
Energy: 0.5284926431324435
Energy: 0.5505034131829922

minimum gb energy = 0.4469650523865988 eV
minimum distance =  2.6133156596811 Angstroms
sigma value = 15


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

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Energy: 0.5291745847127465
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minimum gb energy = 0.5112400097361686 eV
minimum distance =  2.540711191053 Angstroms
sigma value = 293


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

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Energy: 0.5167769605230462
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Energy: 0.5838804693062113
Energy: 0.5167769605248597
Energy: 0.5924656583701682
Energy: 0.5838804693070172
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Energy: 0.5689685485499949
Energy: 0.5255934164396501
Energy: 0.5256136685958722
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Energy: 0.5255934164390456
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Energy: 0.5255934164394487
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Energy: 0.5689685485493905
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Energy: 0.5852770737902608
Energy: 0.5909037405119969
Energy: 0.5171145033239586
Energy: 0.5852770737886488
Energy: 0.5909037405126015
Energy: 0.5171145033245632
Energy: 0.5852770737856263
Energy: 0.5909037405105865
Energy: 0.5171145033217603
Energy: 0.5646838119060694
Energy: 0.54544342590421
Energy: 0.5357503871164366
Energy: 0.564683811907077
Energy: 0.5454434259038071
Energy: 0.5357503871164366
Energy: 0.5646838119060694
Energy: 0.5454434259027995
Energy: 0.5357503871158505
Energy: 0.5646838119054648
Energy: 0.599717450595668
Energy: 0.5225579127293264
Energy: 0.5195521876857137
Energy: 0.5997174505980858
Energy: 0.5225579127291249
Energy: 0.5195712600028984
Energy: 0.5997174505950633
Energy: 0.5225579127252964
Energy: 0.5195521876879301
Energy: 0.5997174505976829
Energy: 0.5387422373472602
Energy: 0.6267498384860367
Energy: 0.5115260226832197
Energy: 0.5387422373476634
Energy: 0.6267498384840218
Energy: 0.5115260226844286
Energy: 0.5387422373508872
Energy: 0.6267498384848278
Energy: 0.5115260226832197
Energy: 0.5387422373478647

minimum gb energy = 0.5115260226822121 eV
minimum distance =  2.55547351730792 Angstroms
sigma value = 293


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

Energy: 0.5235584386695147
Energy: 0.5241186249282199
Energy: 0.5242138400720178
Energy: 0.523558438668058
Energy: 0.5241186249311335
Energy: 0.5242138400727462
Energy: 0.5235584386687864
Energy: 0.5241186249304051
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Energy: 0.5237751084703854
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Energy: 0.5914997383535252
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Energy: 0.5237314097618486
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Energy: 0.5240570187881615
Energy: 0.5237751084700213
Energy: 0.5236958101326644
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Energy: 0.523558438669879
Energy: 0.5241186249311335
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Energy: 0.5235584386706073
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Energy: 0.5235584386691504
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Energy: 0.5236958101330286
Energy: 0.5240570187925319
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Energy: 0.523775108471478
Energy: 0.5236958101330286
Energy: 0.5240570187921676
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Energy: 0.5237314097618486
Energy: 0.523877612862264
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Energy: 0.5237314097614845
Energy: 0.5238776128633567
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Energy: 0.5237314097614845
Energy: 0.5915195640660791
Energy: 0.5239747328224319
Energy: 0.5237869824072297
Energy: 0.591509323299779
Energy: 0.5239747328217036
Energy: 0.5237869824094147
Energy: 0.5441667198077044
Energy: 0.5239747328231603
Energy: 0.5237869824072297
Energy: 0.5915185649070316
Energy: 0.5240982983533083
Energy: 0.523691287155046
Energy: 0.5237720027811443
Energy: 0.5240982983529442
Energy: 0.523691287155046
Energy: 0.5237720027807801
Energy: 0.5240982983529442
Energy: 0.523691287155046
Energy: 0.5237720027822369
Energy: 0.5240982983551292
Energy: 0.5241186249304051
Energy: 0.5242138400734745
Energy: 0.5235584386702431
Energy: 0.5241186249293125
Energy: 0.5242138400727462
Energy: 0.5235584386691504
Energy: 0.524118624930041
Energy: 0.5242138400727462
Energy: 0.5235584386716832
Energy: 0.5241186249304051
Energy: 0.5236958101326644
Energy: 0.5240570187939886
Energy: 0.5237751084711139
Energy: 0.5236958101330286
Energy: 0.5240570187918034
Energy: 0.5237751084711139
Energy: 0.5236958101326644
Energy: 0.5240570187961737
Energy: 0.5237751084696571
Energy: 0.5236958101330286

minimum gb energy = 0.523558438668058 eV
minimum distance =  2.61391294795783 Angstroms
sigma value = 15


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

Energy: 0.5442402658463588
Energy: 0.5607647279427559
Energy: 0.5500997218960824
Energy: 0.5285093222876546
Energy: 0.5607647279394541
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Energy: 0.5727753729628166
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Energy: 0.5088809520314329
Energy: 0.5224418663230199
Energy: 0.572261505083673
Energy: 0.5483082086672391
Energy: 0.55463873322209
Energy: 0.5722615050787203
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Energy: 0.572261505083673
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Energy: 0.55463873322209
Energy: 0.5722615050787203
Energy: 0.5380776043403583
Energy: 0.5772183091478076
Energy: 0.559528829349978
Energy: 0.5380798438971804
Energy: 0.5772183091461568
Energy: 0.5595288293532797
Energy: 0.5380776043387075
Energy: 0.5772183091478076
Energy: 0.559528829349978
Energy: 0.5380798438971804
Energy: 0.5572453051992841
Energy: 0.5164101948374663
Energy: 0.5584810229142022
Energy: 0.5572453052042367
Energy: 0.5164101948407681
Energy: 0.5584810229125513
Energy: 0.5572453051992841
Energy: 0.5164101948358154
Energy: 0.5584810229142022
Energy: 0.5572453052042367
Energy: 0.6044548870781931
Energy: 0.5927638456914804
Energy: 0.6016794032081555
Energy: 0.6044548870748914
Energy: 0.5927638456898296
Energy: 0.6016794032065046
Energy: 0.6044548870781931
Energy: 0.5927638456914804
Energy: 0.6016794032081555
Energy: 0.6044548870748914
Energy: 0.6067126064960282
Energy: 0.513538250030919
Energy: 0.5548199996826563
Energy: 0.6101127625404553
Energy: 0.5137362518377058
Energy: 0.5548199996826563
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Energy: 0.513538250030919
Energy: 0.5548199996826563
Energy: 0.6101127625404553
Energy: 0.566667694472871
Energy: 0.511492416283674
Energy: 0.5837224997729535
Energy: 0.5666676944695694
Energy: 0.5114924162803723
Energy: 0.5837224997713026
Energy: 0.566667694474522
Energy: 0.5114924162853249
Energy: 0.5837224997729535
Energy: 0.5666676944695694
Energy: 0.5996614660959471
Energy: 0.5672884409637754
Energy: 0.5215212619603518
Energy: 0.5996614661075031
Energy: 0.5672884409637754
Energy: 0.5213050567753239
Energy: 0.5996614661025504
Energy: 0.5672884409654262
Energy: 0.5215212619587007
Energy: 0.5996614661008997
Energy: 0.5081279862719078
Energy: 0.5713888778046512
Energy: 0.5837757090460075
Energy: 0.5081279862702569
Energy: 0.5713888778079528
Energy: 0.5837757090460075
Energy: 0.5081279862719078
Energy: 0.571388877806302
Energy: 0.5837757090460075
Energy: 0.5081279862702569
Energy: 0.5444529435532608
Energy: 0.5783198887651484
Energy: 0.538753897893901
Energy: 0.5286773597330917
Energy: 0.5783198887684502
Energy: 0.538753897895552
Energy: 0.5444529435532608
Energy: 0.5783198887651484
Energy: 0.538753897893901
Energy: 0.5286773597330917
Energy: 0.5445055819429812
Energy: 0.6141023145765793
Energy: 0.5725498559932262
Energy: 0.5288806162280503
Energy: 0.6141023145765793
Energy: 0.5699362099699364
Energy: 0.5445055819413304
Energy: 0.6141023145765793
Energy: 0.5725498559932262
Energy: 0.5288806162280503
Energy: 0.5099754446369199
Energy: 0.6280715616481138
Energy: 0.5714843296404071
Energy: 0.5099754446336182
Energy: 0.6280715616497647
Energy: 0.5714843296371053
Energy: 0.5099754446369199
Energy: 0.628071561646463
Energy: 0.5714843296404071
Energy: 0.5099754446336182
Energy: 0.6030591220009688
Energy: 0.5211141668709013
Energy: 0.6006446296795616
Energy: 0.6030591219960163
Energy: 0.5211141668675995
Energy: 0.6006446296812125
Energy: 0.6030591220009688
Energy: 0.5211141668725522
Energy: 0.6006446296828634
Energy: 0.6030591219960163
Energy: 0.5619709602697156
Energy: 0.5822103229976393
Energy: 0.5109130231078937
Energy: 0.5619709602713664
Energy: 0.5822103229976393
Energy: 0.5108708688358936
Energy: 0.5619709602697156
Energy: 0.5822103229976393
Energy: 0.5109130231062428
Energy: 0.5619709602730172
Energy: 0.6475951280995759
Energy: 0.556881889344719
Energy: 0.5138214900374325
Energy: 0.6475951280979251
Energy: 0.5568818893381156
Energy: 0.5138214900357817
Energy: 0.6475951281012269
Energy: 0.556881889344719
Energy: 0.5138214900374325
Energy: 0.6475951280979251
Energy: 0.5880803784914318
Energy: 0.5859344500355159
Energy: 0.578301946703616
Energy: 0.588080378489781
Energy: 0.5859344500338651
Energy: 0.5783019467003143
Energy: 0.5880803784914318
Energy: 0.5859344500371669
Energy: 0.578301946703616
Energy: 0.588080378489781
Energy: 0.6100605792862386
Energy: 0.5635330515889256
Energy: 0.508340387363578
Energy: 0.6100605792862386
Energy: 0.5635330515922276
Energy: 0.5083403873652288
Energy: 0.6100605792862386
Energy: 0.5635330515905767
Energy: 0.5083403873652288
Energy: 0.6100605792829369
Energy: 0.535561959972097
Energy: 0.5499754442635325
Energy: 0.5437876282438366
Energy: 0.5355619599671445
Energy: 0.5499754442618816
Energy: 0.5437876282438366
Energy: 0.535561959972097
Energy: 0.5499754442635325
Energy: 0.5437876282438366
Energy: 0.5355619599671445
Energy: 0.5794011444811714
Energy: 0.5404675814996066
Energy: 0.5322206104337178
Energy: 0.5794011444762188
Energy: 0.5404675815062101
Energy: 0.5322206104402913
Energy: 0.5794011444811714
Energy: 0.5404675815012576
Energy: 0.5322206104337178
Energy: 0.5794011444778696
Energy: 0.6905128427261635
Energy: 0.5086887702420952
Energy: 0.5598911493511252
Energy: 0.6905128427278144
Energy: 0.5086887702404445
Energy: 0.5598911493494744
Energy: 0.6905128427278144
Energy: 0.5086887702437461
Energy: 0.5598911493478234
Energy: 0.6905128427278144
Energy: 0.5444895482295916
Energy: 0.59208923331143
Energy: 0.5445541704100479
Energy: 0.5444895482295916
Energy: 0.5920892333130809
Energy: 0.5445541704133497
Energy: 0.5444895482295916
Energy: 0.59208923331143
Energy: 0.5445541704116987
Energy: 0.5444895482279407
Energy: 0.5657107192913218
Energy: 0.5171163836272608
Energy: 0.6091931319243861
Energy: 0.5657107192946235
Energy: 0.5175149729891529
Energy: 0.6091931319227352
Energy: 0.5657107192913218
Energy: 0.5171163836256099
Energy: 0.6091931319243861
Energy: 0.5657107192946235
Energy: 0.5939955140200663
Energy: 0.5248107613404345
Energy: 0.5794483353695128
Energy: 0.593995514025019
Energy: 0.5248107613437364
Energy: 0.5794483353629393
Energy: 0.5939955140200663
Energy: 0.5248107613387837
Energy: 0.5794483353678619
Energy: 0.593995514025019
Energy: 0.569123297803356
Energy: 0.5394428629441774
Energy: 0.5213197297761869
Energy: 0.569123297803356
Energy: 0.5394428629425266
Energy: 0.5212168907907733
Energy: 0.5691232978050069
Energy: 0.5394428629458282
Energy: 0.5213197297761869
Energy: 0.5691232978017052
Energy: 0.5088848557978594
Energy: 0.5396805111162902
Energy: 0.5806175963884517
Energy: 0.5088848558061136
Energy: 0.5396805111179412
Energy: 0.58061759638515
Energy: 0.5088848557978594
Energy: 0.5396805111146394
Energy: 0.5806175963884517
Energy: 0.5088848558061136
Energy: 0.5288468257291975
Energy: 0.5772031785435149
Energy: 0.6070992038455671
Energy: 0.5447381214457374
Energy: 0.5772031785402131
Energy: 0.6070992038505199
Energy: 0.5288468257291975
Energy: 0.5772031785435149
Energy: 0.607099203847218
Energy: 0.5447381214457374

minimum gb energy = 0.5081279862702569 eV
minimum distance =  2.55259387914643 Angstroms
sigma value = 437


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

Energy: 0.5214987048915276
Energy: 0.5300417408112317
Energy: 0.5300545942607944
Energy: 0.5214987048915276
Energy: 0.5300417408094273
Energy: 0.5300545942577872
Energy: 0.5214987048915276
Energy: 0.5300417408112317
Energy: 0.5300545942607944
Energy: 0.521498704892129
Energy: 0.6261386587486553
Energy: 0.5153218008766308
Energy: 0.5698887680057129
Energy: 0.6261386587510611
Energy: 0.5153218008802394
Energy: 0.5698887680075172
Energy: 0.6261386587492568
Energy: 0.5153218008760294
Energy: 0.5698887680051116
Energy: 0.6261386587510611
Energy: 0.5881549601388446
Energy: 0.5069024635588087
Energy: 0.6361832399592254
Energy: 0.5881549601388446
Energy: 0.5069024635558015
Energy: 0.6361832399586241
Energy: 0.5881549601388446
Energy: 0.5069024635588087
Energy: 0.6361832399580226
Energy: 0.588154960139446
Energy: 0.5654428706004142
Energy: 0.6004959322121972
Energy: 0.562622914818273
Energy: 0.5654428705992113
Energy: 0.6004959322109943
Energy: 0.5626229148164688
Energy: 0.5654428706004142
Energy: 0.6004959322121972
Energy: 0.562622914818273
Energy: 0.5654428705998128
Energy: 0.5835735973488174
Energy: 0.520638533025574
Energy: 0.6253932229799853
Energy: 0.5835735973494189
Energy: 0.5206385330267769
Energy: 0.6253932229817898
Energy: 0.583573597348216
Energy: 0.520638533025574
Energy: 0.6253932229793839
Energy: 0.5835735973494189
Energy: 0.5296422218033219
Energy: 0.5721244323359521
Energy: 0.5148815747124177
Energy: 0.529642221802119
Energy: 0.5721244323335465
Energy: 0.5148815747148234
Energy: 0.529642221802119
Energy: 0.5721244323359521
Energy: 0.5148815747124177
Energy: 0.5296422218003146
Energy: 0.5883136314440179
Energy: 0.5239330916104112
Energy: 0.5068930350065729
Energy: 0.5883136314410108
Energy: 0.523933091611614
Energy: 0.5068930350071743
Energy: 0.5883136314440179
Energy: 0.5239330916104112
Energy: 0.5068930350071743
Energy: 0.5883136314416122
Energy: 0.556197212880378
Energy: 0.5752576490012322
Energy: 0.5554511592917026
Energy: 0.556197212880378
Energy: 0.5752576490030367
Energy: 0.5554511592923042
Energy: 0.556197212880378
Energy: 0.5752576490012322
Energy: 0.5554511592923042
Energy: 0.556197212880378
Energy: 0.6125804836892297
Energy: 0.5711441532001479
Energy: 0.5225315774542193
Energy: 0.6125804836862498
Energy: 0.5711441531989448
Energy: 0.5225315774548207
Energy: 0.6125804836880269
Energy: 0.5711441532001479
Energy: 0.5225315774548207
Energy: 0.6125804836874528
Energy: 0.5598681721450828
Energy: 0.5812270796488694
Energy: 0.5790255253497454
Energy: 0.5598681721450828
Energy: 0.581227079648268
Energy: 0.5790255253509483
Energy: 0.5598681721456844
Energy: 0.5812270796488694
Energy: 0.5790255253521511
Energy: 0.5598681721450828
Energy: 0.5524200912532254
Energy: 0.512753413060554
Energy: 0.5241326649352283
Energy: 0.5524200912538267
Energy: 0.5127534130593512
Energy: 0.5241326649352283
Energy: 0.5524200912532254
Energy: 0.5127534130611555
Energy: 0.5241326649340253
Energy: 0.5524200912526239
Energy: 0.5712417132141813
Energy: 0.5142789720899733
Energy: 0.5741353591439862
Energy: 0.5712417132141813
Energy: 0.5142789720911762
Energy: 0.5741353591421818
Energy: 0.5712417132165869
Energy: 0.5142789720899733
Energy: 0.5741353591439862
Energy: 0.5712417132099712
Energy: 0.5228966693635332
Energy: 0.5635888890871068
Energy: 0.5224803188541375
Energy: 0.5228966693653375
Energy: 0.563588889039019
Energy: 0.5224803188553404
Energy: 0.5228966693635332
Energy: 0.5635888891141717
Energy: 0.522480318854739
Energy: 0.5228966693653375
Energy: 0.5279223913132378
Energy: 0.5298104523631333
Energy: 0.5562206894135883
Energy: 0.5279223913168464
Energy: 0.5298104523631333
Energy: 0.5562206894135883
Energy: 0.5279223913180493
Energy: 0.5298104523625318
Energy: 0.5562206894141898
Energy: 0.5279223913210566

minimum gb energy = 0.5068930350065729 eV
minimum distance =  2.56944506842165 Angstroms
sigma value = 33