Model name: model_name=EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.073718130588532
cohesive_energy=3.2103875034027074
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.143095413925774 eV

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

Energy: 0.011965029787835958
Energy: 0.15597798386821482
Energy: 0.22052947735755127
Energy: 0.1559786320198917
Energy: 0.011965029788620114
Energy: 0.1559779838674307
Energy: 0.2205294773597245
Energy: 0.1472728547459979
Energy: 0.012472061967207059
Energy: 0.08972494750250679
Energy: 0.012492584493988493
Energy: 0.14727285474617713
Energy: 0.012472061967408701
Energy: 0.08972494750369422
Energy: 0.011965029787634317
Energy: 0.15597798386821482
Energy: 0.2205294773577529
Energy: 0.155978632020295
Energy: 0.011965029788620114
Energy: 0.1559779838674307
Energy: 0.2205294773597245
Energy: 0.1472728547459979
Energy: 0.012472061967207059
Energy: 0.08972494750230516
Energy: 0.012492584493786854
Energy: 0.1472728547459979
Energy: 0.01247206196761034
Energy: 0.08972494750369422
Energy: 0.011965029787634317
Energy: 0.1559779838684165
Energy: 0.22052947735755127
Energy: 0.15597863202009338
Energy: 0.011965029788418473
Energy: 0.1559779838676323
Energy: 0.2205294773593212
Energy: 0.1472728547459979
Energy: 0.012472061967207059
Energy: 0.08972494750250679
Energy: 0.012492584493786854
Energy: 0.14727285474637875
Energy: 0.012472061967408701
Energy: 0.08972494750369422

minimum gb energy = 0.011965029787634317 eV
minimum distance =  2.85619659922758 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: 0.4639843195900981
Energy: 0.46828547269678933
Energy: 0.46403981587279614
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Energy: 0.4458758544831921
Energy: 0.4604310216086764
Energy: 0.4765311700883067
Energy: 0.45093423409453826
Energy: 0.46698287308844605
Energy: 0.4562111554641592
Energy: 0.4765311700907154
Energy: 0.45093423410176425
Energy: 0.4669828730764026
Energy: 0.4581690160472383
Energy: 0.4464295002145262
Energy: 0.458395318171639
Energy: 0.4451677149445226
Energy: 0.4581690160400122
Energy: 0.4464295002217522
Energy: 0.45839531818127377
Energy: 0.43691500918708126
Energy: 0.44879889120589905
Energy: 0.4676546372396137
Energy: 0.44991858974118426
Energy: 0.43691500918708126
Energy: 0.44879889120589905
Energy: 0.4676546372372051
Energy: 0.441888015843685
Energy: 0.4663975473504098
Energy: 0.46846436594894525
Energy: 0.4656103257307025
Energy: 0.441888015843685
Energy: 0.46639754734077493
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Energy: 0.4361151835741364
Energy: 0.4591515269221281
Energy: 0.47685708434939106
Energy: 0.4467100712094736
Energy: 0.43611518357172774
Energy: 0.4591515269149021
Energy: 0.4768570843445737

minimum gb energy = 0.43611518357172774 eV
minimum distance =  2.5810315726143 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

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Energy: 0.46015479558956146
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Energy: 0.46053098199057124
Energy: 0.4522503506907744
Energy: 0.4716874633547738
Energy: 0.4520741418060169
Energy: 0.460530981994399
Energy: 0.4522503506855796
Energy: 0.4716874633514928
Energy: 0.4397519374835834
Energy: 0.44241904749400585
Energy: 0.4729478142184118
Energy: 0.4502672401299763
Energy: 0.4397519374865909
Energy: 0.44241904749291217
Energy: 0.4729478142197789
Energy: 0.43693434042870216
Energy: 0.44929448871714106
Energy: 0.47183732203582895
Energy: 0.4537191181069061
Energy: 0.4369343404297958
Energy: 0.4492944887155006
Energy: 0.4718373220303856
Energy: 0.4463426522357635
Energy: 0.481222371198572
Energy: 0.4722407563319856
Energy: 0.4529333594139307
Energy: 0.44634265223631037
Energy: 0.48122237119829864
Energy: 0.4722407563349931
Energy: 0.44457496351670384
Energy: 0.45281939464025867
Energy: 0.4741636592217269
Energy: 0.4529074430719586
Energy: 0.4445749635177974
Energy: 0.45281939464353965
Energy: 0.4741636592261015
Energy: 0.437123481904113
Energy: 0.44828128021973807
Energy: 0.4871665365832354
Energy: 0.47862606665341734
Energy: 0.4371234819076673
Energy: 0.4482812802260265
Energy: 0.48716653657749376
Energy: 0.44662176948281057
Energy: 0.44199505780881354
Energy: 0.4734779069943225
Energy: 0.46893895911698275
Energy: 0.4466217694860915
Energy: 0.4419950578063529
Energy: 0.4734779069951428
Energy: 0.47521482802391285
Energy: 0.4601547955881945
Energy: 0.44472711757790157
Energy: 0.4507172854424793
Energy: 0.4752148280192649
Energy: 0.4601547955876476
Energy: 0.44472711757571426
Energy: 0.43833685994395966
Energy: 0.4801852348179496
Energy: 0.45586653659583054
Energy: 0.44875163615428226
Energy: 0.4383368599442331
Energy: 0.4801852348146687
Energy: 0.45586653659774445

minimum gb energy = 0.43693434042870216 eV
minimum distance =  2.59004298997315 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.4435721837279184
Energy: 0.43349948852093395
Energy: 0.4833569741600254
Energy: 0.4513762335867535
Energy: 0.4435721837279184
Energy: 0.43349948852061826
Energy: 0.4833569741606567
Energy: 0.4627508574278073
Energy: 0.4443460783173367
Energy: 0.45902986197078305
Energy: 0.42715180231310435
Energy: 0.4627508574274916
Energy: 0.4443460783189152
Energy: 0.45902986197078305
Energy: 0.44293192236293727
Energy: 0.46105513941962406
Energy: 0.46003125000084305
Energy: 0.4449959667783055
Energy: 0.44293192236293727
Energy: 0.46105513941772985
Energy: 0.46003124999926454
Energy: 0.4373352930075775
Energy: 0.4312475289161428
Energy: 0.4627856486417215
Energy: 0.44807568250059854
Energy: 0.4373352930063147
Energy: 0.43124752891488
Energy: 0.4627856486433
Energy: 0.4519432402121113
Energy: 0.4412056125723183
Energy: 0.4320045928707168
Energy: 0.44492166327361815
Energy: 0.45194324021463694
Energy: 0.441205612572634
Energy: 0.4320045928700854
Energy: 0.4317214679279794
Energy: 0.4431815242562807
Energy: 0.46816228503006624
Energy: 0.454299028711128
Energy: 0.43172146792955796
Energy: 0.4431815242562807
Energy: 0.468162285028172
Energy: 0.4314528949927996
Energy: 0.4397121293425461
Energy: 0.45300114196722896
Energy: 0.4413966353185437
Energy: 0.4314528949915368
Energy: 0.4397121293415989
Energy: 0.4530011419694389
Energy: 0.4461620983034622
Energy: 0.4459236606844657
Energy: 0.47372588960280276
Energy: 0.4307382110972085
Energy: 0.4461620983034622
Energy: 0.4459236606844657
Energy: 0.47372588960311846
Energy: 0.440455171693245
Energy: 0.4299850893425761
Energy: 0.4769940068304141
Energy: 0.4309742534166061
Energy: 0.4404551716919822
Energy: 0.42998508934352325
Energy: 0.4769940068313612
Energy: 0.4315221629716789
Energy: 0.4441512454234811
Energy: 0.4552721085916173
Energy: 0.4369867496512673
Energy: 0.43152216297199464
Energy: 0.4441512454231654
Energy: 0.4552721085906702
Energy: 0.4601281504714343
Energy: 0.4380434282883682
Energy: 0.47150115047090607
Energy: 0.438837579031757
Energy: 0.4601281504714343
Energy: 0.43804342828868387
Energy: 0.47150115046995894
Energy: 0.4488967866286693
Energy: 0.4475931206417513
Energy: 0.4598073847637455
Energy: 0.4395599602240473
Energy: 0.4488967866280379
Energy: 0.4475931206414356
Energy: 0.4598073847627984
Energy: 0.4535951384788593
Energy: 0.45034959990807993
Energy: 0.46663183277483183
Energy: 0.43907132067105564
Energy: 0.4535951384782279
Energy: 0.4503495999087113
Energy: 0.46663183277421477
Energy: 0.4478899443769804
Energy: 0.44125023966011434
Energy: 0.46089342345030865
Energy: 0.4468164805871857
Energy: 0.4478899443754018
Energy: 0.4412502396594829
Energy: 0.46089342345062434
Energy: 0.45180537152675926
Energy: 0.43205341929728824
Energy: 0.46535943673796454
Energy: 0.44623729252335875
Energy: 0.45180537152707506
Energy: 0.4320534192960254
Energy: 0.46535943673828023
Energy: 0.4488126437006918
Energy: 0.4394913917791047
Energy: 0.46698910969206825
Energy: 0.44880950560603367
Energy: 0.44881264369912754
Energy: 0.4394913917791047
Energy: 0.4669891096923839
Energy: 0.45360369134597117
Energy: 0.44134265679352935
Energy: 0.46313745861211025
Energy: 0.44833501206033527
Energy: 0.4536036913453398
Energy: 0.4413426567928979
Energy: 0.4631374586130574
Energy: 0.4339538565564892
Energy: 0.43795817005641957
Energy: 0.45456657591154254
Energy: 0.4435508006410079
Energy: 0.4339538565568049
Energy: 0.43795817005705107
Energy: 0.4545665759109111
Energy: 0.43140507531448585
Energy: 0.44317257674650895
Energy: 0.4487367718577175
Energy: 0.43132848929683243
Energy: 0.431405075315433
Energy: 0.4431725767477718
Energy: 0.4487367718583489
Energy: 0.4321636025656251
Energy: 0.42985731870675886
Energy: 0.45360802507891557
Energy: 0.4458951897565952
Energy: 0.43216360256467795
Energy: 0.4298573187080217
Energy: 0.45360802507765274
Energy: 0.440810249298135
Energy: 0.4425514156039038
Energy: 0.4783335148895915
Energy: 0.43625110945528284
Energy: 0.4408102492990821
Energy: 0.44255141560516664
Energy: 0.47833351489115566
Energy: 0.43167225803203696
Energy: 0.44137736422259366
Energy: 0.4682937309667929
Energy: 0.4358221763016582
Energy: 0.43167225803235265
Energy: 0.44137736422164653
Energy: 0.46829373096742427
Energy: 0.4519808752880789
Energy: 0.44025137608165005
Energy: 0.4188854181875762
Energy: 0.4467635134954356
Energy: 0.4519808752868161
Energy: 0.4402513760803872
Energy: 0.4188854181774879
Energy: 0.43423478071582877
Energy: 0.4559640935806012
Energy: 0.4697541181677853
Energy: 0.43931820385099046
Energy: 0.4342347807170916
Energy: 0.45596409358028545
Energy: 0.46975411816683815
Energy: 0.438665996647217
Energy: 0.43834454129622014
Energy: 0.4655031654705233
Energy: 0.4552371877971196
Energy: 0.4386659966462699
Energy: 0.43834454129590444
Energy: 0.4655031654702076
Energy: 0.4515263270012015
Energy: 0.429793539293672
Energy: 0.4617495901864634
Energy: 0.4575998635530486
Energy: 0.4515263270024643
Energy: 0.42979353929335623
Energy: 0.46174959018551626
Energy: 0.44493366499535775
Energy: 0.4334404452880455
Energy: 0.47618441224705726
Energy: 0.4357772753674091
Energy: 0.44493366499756765
Energy: 0.43344044528867687
Energy: 0.4715233799405657
Energy: 0.44931984342967873
Energy: 0.464563246123405
Energy: 0.4518066672688219
Energy: 0.44153829244436965
Energy: 0.44931984343031023
Energy: 0.46456324612403643
Energy: 0.45180666726976904
Energy: 0.43811664224492536
Energy: 0.4590704132326555
Energy: 0.465387849124907
Energy: 0.43830339861757867
Energy: 0.4381166422439782
Energy: 0.45907041323012987
Energy: 0.4679260466527552
Energy: 0.43929711751002853
Energy: 0.43383883772744813
Energy: 0.4568079493679623
Energy: 0.44247963458652584
Energy: 0.4392971175075172
Energy: 0.4338388377268167
Energy: 0.45680794936954083
Energy: 0.4553801493098278
Energy: 0.4416682448229191
Energy: 0.4805176018357904
Energy: 0.4404545466696464
Energy: 0.4553801493107749
Energy: 0.44166824482386624
Energy: 0.45893431555880077
Energy: 0.43682599767012836
Energy: 0.4359666138514478
Energy: 0.46636436687894334
Energy: 0.4567419558445069
Energy: 0.4368259976713912
Energy: 0.4359666138505007
Energy: 0.46636436688020616
Energy: 0.4315186055459686
Energy: 0.4413369873351421
Energy: 0.4549691917740935
Energy: 0.44237480225695763
Energy: 0.43151860554754723
Energy: 0.4413369873364049
Energy: 0.45496919177377776
Energy: 0.4321887815461788
Energy: 0.43537615453316836
Energy: 0.4743921003575755
Energy: 0.43217704319023587
Energy: 0.43218878154649454
Energy: 0.43537615453316836
Energy: 0.4743921003578912
Energy: 0.4370581775652847
Energy: 0.43752583091998004
Energy: 0.46377814616370794
Energy: 0.44189919788435883
Energy: 0.4370581775656004
Energy: 0.4375258309193486
Energy: 0.4637781461643393
Energy: 0.43250864709337766
Energy: 0.4398112419971762
Energy: 0.4686318786530539
Energy: 0.4374988555748013
Energy: 0.432508647093062
Energy: 0.4398112419959133
Energy: 0.468631878654001

minimum gb energy = 0.4188854181774879 eV
minimum distance =  2.60817134998264 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.4208867600930923
Energy: 0.4392967788039209
Energy: 0.4759725612052023
Energy: 0.4392125985260044
Energy: 0.42088676009644566
Energy: 0.43929677880727425
Energy: 0.475972561204457
Energy: 0.4157143802388199
Energy: 0.4477030864514213
Energy: 0.4044794199078739
Energy: 0.4470257498813885
Energy: 0.4157143802421733
Energy: 0.4477030864529117
Energy: 0.40447941990750125
Energy: 0.42082058303810266
Energy: 0.41066168184521057
Energy: 0.4037173403572619
Energy: 0.42203911739686273
Energy: 0.42082058304145603
Energy: 0.41066168184968166
Energy: 0.4037173403550264
Energy: 0.41580653404936846
Energy: 0.44676321136482
Energy: 0.4092688531319444
Energy: 0.42414743211895034
Energy: 0.41580653404936846
Energy: 0.44676321136519265
Energy: 0.4092688531300814
Energy: 0.4582754790140165
Energy: 0.42234917161506713
Energy: 0.4199374807756228
Energy: 0.422061149855571
Energy: 0.458275479018115
Energy: 0.42234917161506713
Energy: 0.41993748077450505
Energy: 0.4156967552875214
Energy: 0.42446504479500646
Energy: 0.453652907692801
Energy: 0.42386345495843103
Energy: 0.4156967552897571
Energy: 0.4244650447935161
Energy: 0.45365290769354616
Energy: 0.4808606613569169
Energy: 0.4221625766638144
Energy: 0.45203105469857435
Energy: 0.4214088919468885
Energy: 0.4808606613606428
Energy: 0.4221625766653048
Energy: 0.4520310547004373
Energy: 0.41558193798098225
Energy: 0.4055291322915455
Energy: 0.4710814412636645
Energy: 0.40549570147251085
Energy: 0.41558193798060966
Energy: 0.4055291322934085
Energy: 0.47108144125770296
Energy: 0.4808187275344795
Energy: 0.4213923328661877
Energy: 0.4580401771553063
Energy: 0.42212435745425364
Energy: 0.4808187275355973
Energy: 0.4213923328695411
Energy: 0.45804017715791445
Energy: 0.4156895369804792
Energy: 0.42391744022142874
Energy: 0.4537141877480885
Energy: 0.4244379188920338
Energy: 0.415689536981597
Energy: 0.4239174402188206
Energy: 0.4537141877465981
Energy: 0.458214041954888
Energy: 0.4220713582374392
Energy: 0.40999818366978275
Energy: 0.4223436435687677
Energy: 0.4582140419556332
Energy: 0.4220713582292421
Energy: 0.40999818366903756
Energy: 0.4158390822866314
Energy: 0.4242574168249184
Energy: 0.4093783436596901
Energy: 0.4467338544184708
Energy: 0.41583908228849437
Energy: 0.4242574168282718
Energy: 0.40937834365819975
Energy: 0.4208225121427067
Energy: 0.4220412496736131
Energy: 0.4038220595197577
Energy: 0.4106465439021152
Energy: 0.4208225121400986
Energy: 0.42204124967175005
Energy: 0.40382205952199324
Energy: 0.41569948428476583
Energy: 0.44695756874417025
Energy: 0.40454253263334977
Energy: 0.44768488537840045
Energy: 0.415699484283648
Energy: 0.4469575687449155
Energy: 0.40454253263148676
Energy: 0.4208867600930923
Energy: 0.4392967788046661
Energy: 0.48214271374444756
Energy: 0.4392125985256318
Energy: 0.42088676009644566
Energy: 0.43929677880801943
Energy: 0.4821427137418394
Energy: 0.4157143802380747
Energy: 0.4477030864514213
Energy: 0.4044794199078739
Energy: 0.4470257498817611
Energy: 0.41571438024180063
Energy: 0.4477030864536569
Energy: 0.4044794199078739
Energy: 0.42082058303773007
Energy: 0.41066168184595575
Energy: 0.40371734035800716
Energy: 0.42203911739649014
Energy: 0.4208205830410834
Energy: 0.4106616818504269
Energy: 0.4037173403550264
Energy: 0.41580653405011364
Energy: 0.44676321136482
Energy: 0.4092688531315718
Energy: 0.4241474321200681
Energy: 0.41580653405011364
Energy: 0.44676321136519265
Energy: 0.4092688531300814
Energy: 0.4582754790136439
Energy: 0.42234917161506713
Energy: 0.41993748077487764
Energy: 0.4220611498551984
Energy: 0.458275479018115
Energy: 0.42234917161506713
Energy: 0.4199374807741324
Energy: 0.41569675528863925
Energy: 0.4244650447957517
Energy: 0.4536529076924284
Energy: 0.42386345495731326
Energy: 0.41569675529087485
Energy: 0.42446504479388864
Energy: 0.45365290769354616
Energy: 0.4808606613557991
Energy: 0.42216257666455964
Energy: 0.4439137219866854
Energy: 0.421408891946516
Energy: 0.4808606613602702
Energy: 0.42216257666567736
Energy: 0.4520310547000647
Energy: 0.41558193798060966
Energy: 0.4055291322922907
Energy: 0.47108144126478224
Energy: 0.40549570147251085
Energy: 0.41558193798023707
Energy: 0.4055291322934085
Energy: 0.47108144125770296
Energy: 0.4808187275341069
Energy: 0.42139233286581507
Energy: 0.4609430456134085
Energy: 0.4221243574535085
Energy: 0.4808187275355973
Energy: 0.4213923328695411
Energy: 0.4654123410002561
Energy: 0.4156895369808518
Energy: 0.42391744022142874
Energy: 0.4537141877484611
Energy: 0.4244379188920338
Energy: 0.4156895369812244
Energy: 0.42391744021770283
Energy: 0.4537141877462256
Energy: 0.458214041953025
Energy: 0.4220713582374392
Energy: 0.4099981836701554
Energy: 0.4223436435672773
Energy: 0.4582140419545155
Energy: 0.42207135822998726
Energy: 0.40999818366978275
Energy: 0.4158390822866314
Energy: 0.4242574168249184
Energy: 0.4093783436593175
Energy: 0.4467338544177256
Energy: 0.41583908228849437
Energy: 0.42425741682789925
Energy: 0.4093783436593175
Energy: 0.42082251214345195
Energy: 0.4220412496743583
Energy: 0.4038220595212481
Energy: 0.4106465439024878
Energy: 0.4208225121412163
Energy: 0.4220412496724953
Energy: 0.4038220595208755
Energy: 0.41569948428476583
Energy: 0.4469575687452881
Energy: 0.404542532634095
Energy: 0.4476848853791456
Energy: 0.415699484283648
Energy: 0.4469575687449155
Energy: 0.40454253263185935
Energy: 0.4208867600930923
Energy: 0.4392967788039209
Energy: 0.46123456431814674
Energy: 0.4392125985260044
Energy: 0.42088676009644566
Energy: 0.4392967788069016
Energy: 0.47160025673344236
Energy: 0.4157143802388199
Energy: 0.4477030864517939
Energy: 0.40447941990824643
Energy: 0.4470257498817611
Energy: 0.4157143802421733
Energy: 0.4477030864536569
Energy: 0.4044794199063835

minimum gb energy = 0.4037173403550264 eV
minimum distance =  2.6442187721097 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.44418935416672556
Energy: 0.45889896037981365
Energy: 0.45739038631648193
Energy: 0.45882051290801434
Energy: 0.4441893541649163
Energy: 0.45889896038252753
Energy: 0.4573903863196481
Energy: 0.4332851657851776
Energy: 0.418367634845932
Energy: 0.4234664598018765
Energy: 0.4182211969485788
Energy: 0.4332851657856299
Energy: 0.41836763484728895
Energy: 0.42346645980142417
Energy: 0.44055736998782485
Energy: 0.3954410140815704
Energy: 0.44446102814918265
Energy: 0.4156822649128835
Energy: 0.44055736998692013
Energy: 0.3954410140793089
Energy: 0.4444610281478256
Energy: 0.43209698005460917
Energy: 0.41233612466634156
Energy: 0.40100306026827287
Energy: 0.4181913130941859
Energy: 0.4320969800528205
Energy: 0.4123361246672462
Energy: 0.40100306026736826
Energy: 0.42422416410556796
Energy: 0.4287457148733361
Energy: 0.4163362123179328
Energy: 0.42791390257204515
Energy: 0.4242241641060202
Energy: 0.42874571487469304
Energy: 0.4163362123183851
Energy: 0.4321104212455997
Energy: 0.4275276228465402
Energy: 0.43120740464527413
Energy: 0.4221576693457255
Energy: 0.4321104212460519
Energy: 0.4275276228465402
Energy: 0.4312074046434648
Energy: 0.4446286800829961
Energy: 0.42879637047693847
Energy: 0.41638102951909933
Energy: 0.4186611825360629
Energy: 0.44462868008390083
Energy: 0.4287963704737723
Energy: 0.41638102951909933
Energy: 0.43757588104783335
Energy: 0.42087753675225226
Energy: 0.42314968998247593
Energy: 0.42213139434267744
Energy: 0.4375758810491903
Energy: 0.4208775367536092
Energy: 0.4231496899820236
Energy: 0.4415793124533392
Energy: 0.42284941073812027
Energy: 0.4428939552924917
Energy: 0.4319989538077685
Energy: 0.4415793124528869
Energy: 0.4228494107385726
Energy: 0.4428939552915871
Energy: 0.4405643290005609
Energy: 0.42791383035898284
Energy: 0.3991937592988193
Energy: 0.42238147674877996
Energy: 0.4405643290014656
Energy: 0.42791383035988745
Energy: 0.3991937592988193
Energy: 0.4355826287121933
Energy: 0.41912352818145876
Energy: 0.4333854170970408
Energy: 0.4354729285069738
Energy: 0.43558262871309783
Energy: 0.41912352818100646
Energy: 0.43338541709613626
Energy: 0.3989906305624022
Energy: 0.4195071585687433
Energy: 0.3969925843857999
Energy: 0.3993278483645001
Energy: 0.3989906305646638
Energy: 0.41950715857055254
Energy: 0.3969925843880615
Energy: 0.4414553035735494
Energy: 0.41943105754550164
Energy: 0.43345443674031114
Energy: 0.4363540039996338
Energy: 0.4414553035762633
Energy: 0.4194310575464063
Energy: 0.43345443673804956
Energy: 0.39900547454725455
Energy: 0.3975318627557642
Energy: 0.42965027115713483
Energy: 0.4063931700122113
Energy: 0.39900547454725455
Energy: 0.3975318627544073
Energy: 0.42965027115487325
Energy: 0.43271949280303634
Energy: 0.40627019661102365
Energy: 0.44869333888111734
Energy: 0.4173849666973511
Energy: 0.43271949279987015
Energy: 0.4062701966105714
Energy: 0.4486933388802127
Energy: 0.39880743775559224
Energy: 0.40856779804674875
Energy: 0.429619371442488
Energy: 0.411424753684395
Energy: 0.39880743775559224
Energy: 0.40856779804810567
Energy: 0.4296193714406788
Energy: 0.43315401861772623
Energy: 0.40631358635511927
Energy: 0.4315063031213711
Energy: 0.41746914986283173
Energy: 0.43315401861546465
Energy: 0.40631358635511927
Energy: 0.4315063031204664
Energy: 0.3988737381703548
Energy: 0.42001364892646625
Energy: 0.4237631533713001
Energy: 0.4487345816103616
Energy: 0.3988737381708071
Energy: 0.42001364892737086
Energy: 0.4237631533735617
Energy: 0.44461284764680803
Energy: 0.4061395736196373
Energy: 0.44094168385866805
Energy: 0.41753490995830767
Energy: 0.44461284764499875
Energy: 0.4061395736196373
Energy: 0.4409416838618343
Energy: 0.39915020837263604
Energy: 0.453410156780496
Energy: 0.4207227340931091
Energy: 0.4534050989813381
Energy: 0.3991502083717315
Energy: 0.4534101567800437
Energy: 0.4207227340931091
Energy: 0.44457076249265914
Energy: 0.4175679188684137
Energy: 0.44087197410186524
Energy: 0.4061827262802317
Energy: 0.44457076249401606
Energy: 0.4175679188693184
Energy: 0.44087197410186524
Energy: 0.39883397446694513
Energy: 0.4486317202267655
Energy: 0.42372078231855187
Energy: 0.42026833070503716
Energy: 0.3988339744655882
Energy: 0.4486317202281225
Energy: 0.4237207823172155
Energy: 0.4331235917666576
Energy: 0.4174903299288023
Energy: 0.41320159874167145
Energy: 0.40617608263616567
Energy: 0.43312359176801457
Energy: 0.41749032992835
Energy: 0.4132015987403144
Energy: 0.3988292497050044
Energy: 0.4113769301749862
Energy: 0.4296240934487895
Energy: 0.40851334637046366
Energy: 0.3988292497068136
Energy: 0.4113769301727247
Energy: 0.42962409345014646
Energy: 0.43275153245171105
Energy: 0.41737709374691206
Energy: 0.47139199058795406
Energy: 0.4062177168890362
Energy: 0.4327515324503541
Energy: 0.4173770937478166
Energy: 0.4713919905893109

minimum gb energy = 0.3954410140793089 eV
minimum distance =  2.57743137472953 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.43173075480425666
Energy: 0.46725429562354354
Energy: 0.42863212010564367
Energy: 0.46730342292276644
Energy: 0.43173075481132483
Energy: 0.4672542956240484
Energy: 0.428632120106424
Energy: 0.47531600478250957
Energy: 0.43933168705643577
Energy: 0.4399368101768302
Energy: 0.44116936072156104
Energy: 0.47531600478301445
Energy: 0.439331687059465
Energy: 0.439936810177335
Energy: 0.44286846764185206
Energy: 0.44332767306365845
Energy: 0.42647449772443563
Energy: 0.4517353071789017
Energy: 0.4428684676421275
Energy: 0.4433276730601243
Energy: 0.4264744977289795
Energy: 0.4251123813230725
Energy: 0.4367927200425451
Energy: 0.4663202746743141
Energy: 0.44129207003698506
Energy: 0.4251123813162797
Energy: 0.4367927200369915
Energy: 0.46632027467027515
Energy: 0.46097101190900736
Energy: 0.41598516667757707
Energy: 0.4283561968576518
Energy: 0.4176022069869072
Energy: 0.46097101190671247
Energy: 0.41598516667027935
Energy: 0.4283561968571469
Energy: 0.40542850556835397
Energy: 0.4304525336741585
Energy: 0.4657347755660004
Energy: 0.4254440960856609
Energy: 0.4054285055671147
Energy: 0.430452533677968
Energy: 0.4657347755619614
Energy: 0.4211800128433327
Energy: 0.41500997276053003
Energy: 0.4441837417292187
Energy: 0.42005437981362775
Energy: 0.42118001284181805
Energy: 0.4150099727612644
Energy: 0.44418374172820907
Energy: 0.4232394706653226
Energy: 0.42597424487868923
Energy: 0.46467207616961986
Energy: 0.4184070300504633
Energy: 0.42323947066481765
Energy: 0.42597424488020386
Energy: 0.46467207616961986
Energy: 0.420589698955772
Energy: 0.41493594771825154
Energy: 0.44205597559262816
Energy: 0.42237645813365843
Energy: 0.4205896989527427
Energy: 0.4149359477212809
Energy: 0.4420559755984571
Energy: 0.40741150563303025
Energy: 0.4182264058875714
Energy: 0.4912715242046196
Energy: 0.4164949561991025
Energy: 0.4074115056340399
Energy: 0.41822640588830573
Energy: 0.4912715241995708
Energy: 0.4205573288529737
Energy: 0.4326449234798515
Energy: 0.46110289725421627
Energy: 0.4187264001801056
Energy: 0.42055732885246877
Energy: 0.43264492347227834
Energy: 0.4611028972501772
Energy: 0.40779089111245026
Energy: 0.4118592470424632
Energy: 0.4881008292549474
Energy: 0.4364919294560179
Energy: 0.40779089111167
Energy: 0.41185924703690957
Energy: 0.4881008292519182
Energy: 0.4215371108618144
Energy: 0.44448640819658636
Energy: 0.45617188606502146
Energy: 0.41958430944248565
Energy: 0.4215371108600244
Energy: 0.44448640819709123
Energy: 0.45617188607309944
Energy: 0.4265547763714377
Energy: 0.4517848272906898
Energy: 0.47601612142575095
Energy: 0.4464272829648943
Energy: 0.42655477636638894
Energy: 0.4517848272947288
Energy: 0.4760161214302948
Energy: 0.42064632605157176
Energy: 0.444169263166771
Energy: 0.4429577747052262
Energy: 0.4543663015789513
Energy: 0.42064632605359126
Energy: 0.44416926315919797
Energy: 0.4429577747047213
Energy: 0.4268838135250568
Energy: 0.41121221127122837
Energy: 0.48191551638277935
Energy: 0.43692341452427547
Energy: 0.42688381352859084
Energy: 0.41121221126617963
Energy: 0.48191551638277935
Energy: 0.4243087569895043
Energy: 0.4443461835064931
Energy: 0.4352632205167181
Energy: 0.4185272875358764
Energy: 0.42430875698317044
Energy: 0.4443461835062636
Energy: 0.4352632205220422
Energy: 0.4054565340786952
Energy: 0.4116889708409899
Energy: 0.450185477409351
Energy: 0.44357610180925666
Energy: 0.4054565340812196
Energy: 0.4116889708377312
Energy: 0.45018547740453174
Energy: 0.4240320571021936
Energy: 0.4360584768417277
Energy: 0.4546816396626134
Energy: 0.4277235991414794
Energy: 0.424032057100679
Energy: 0.43605847684273746
Energy: 0.4546816396565549
Energy: 0.4058374334769886
Energy: 0.4166259180190093
Energy: 0.45985590540318205
Energy: 0.41359195135094245
Energy: 0.4058374334741888
Energy: 0.4166259180190093
Energy: 0.4598559054036868
Energy: 0.42442158312325556
Energy: 0.4260009103693716
Energy: 0.4358167003360204
Energy: 0.42981162978877513
Energy: 0.4244215831227507
Energy: 0.42600091036762755
Energy: 0.4358167003392791
Energy: 0.4057853691221435
Energy: 0.416771059302396
Energy: 0.43428649073890346
Energy: 0.4232656372087409
Energy: 0.4057853691256776
Energy: 0.416771059306435
Energy: 0.43428649074721093
Energy: 0.4250967861505271
Energy: 0.4153248863179723
Energy: 0.45380474432120205
Energy: 0.45548797429385185
Energy: 0.42509678615103197
Energy: 0.4153248863230211
Energy: 0.45380474432019224
Energy: 0.41284957505077585
Energy: 0.41488163318651916
Energy: 0.4600238329372969
Energy: 0.4152179964576101
Energy: 0.41284957504522224
Energy: 0.41488163318225074
Energy: 0.4600238329362871
Energy: 0.42411538790357295
Energy: 0.43749624521778263
Energy: 0.44512347180403183
Energy: 0.48040592018117756
Energy: 0.42411538791013625
Energy: 0.43749624521957264
Energy: 0.44512347180453676
Energy: 0.43920749475640763
Energy: 0.4443032694395014
Energy: 0.4877795901830645
Energy: 0.4403621081822313
Energy: 0.439207494756683
Energy: 0.444303269442806
Energy: 0.4877795901795303
Energy: 0.44906952038544146
Energy: 0.4335033098893787
Energy: 0.4423996293622562
Energy: 0.48119476933234584
Energy: 0.44906952038443165
Energy: 0.43350330989162766
Energy: 0.4647588099212632
Energy: 0.42683270453671746
Energy: 0.47062317039716556
Energy: 0.45177696797150585
Energy: 0.4580842159131958
Energy: 0.42683270453446853
Energy: 0.4706231703986802
Energy: 0.45177696797503997
Energy: 0.44908277597791935
Energy: 0.4332548332152752
Energy: 0.4352149938811173
Energy: 0.48040312392323603
Energy: 0.4490827759741558
Energy: 0.43325483321325575
Energy: 0.43521499388644136
Energy: 0.4271882320964867
Energy: 0.4371367063254352
Energy: 0.47749633319948515
Energy: 0.44939289225687545
Energy: 0.42718823209065765
Energy: 0.4371367063254352
Energy: 0.4774963332077926
Energy: 0.41306667245459117
Energy: 0.43289501065345876
Energy: 0.4461676753787806
Energy: 0.4793399583141898
Energy: 0.4130666724467427
Energy: 0.4328950106456103
Energy: 0.4461676753797904
Energy: 0.4269045985674277
Energy: 0.41447503527542706
Energy: 0.45730615426608706
Energy: 0.4173619114874843
Energy: 0.4269045985707323
Energy: 0.4144750352690932
Energy: 0.4573061542582386
Energy: 0.4189965378440796
Energy: 0.4256931221871132
Energy: 0.4401242414141246
Energy: 0.4595392111344111
Energy: 0.41899653784256496
Energy: 0.42569312218991295
Energy: 0.44012424141940276
Energy: 0.42404444111537426
Energy: 0.41437626933303323
Energy: 0.4573980612473273
Energy: 0.41933893997451
Energy: 0.4240444411048178
Energy: 0.4143762693338135
Energy: 0.45739806124581267
Energy: 0.4178427282701536
Energy: 0.4084605662122626
Energy: 0.43577967850803956
Energy: 0.451375830855259
Energy: 0.417842728272678
Energy: 0.40846056621657695
Energy: 0.43577967850450544
Energy: 0.4237393331279042
Energy: 0.421278907531597
Energy: 0.4489364100918971
Energy: 0.4086017267192826
Energy: 0.4237393331268944
Energy: 0.4212789075331116
Energy: 0.44893641009616564
Energy: 0.4182874793294715
Energy: 0.41103965907873946
Energy: 0.439921722416378
Energy: 0.43614947969559953
Energy: 0.41828747933300564
Energy: 0.41103965907493
Energy: 0.43992172241913186
Energy: 0.4167409307222829
Energy: 0.4168585012204915
Energy: 0.46734093366394686
Energy: 0.40869622680146345
Energy: 0.4167409307207682
Energy: 0.416858501218472
Energy: 0.46734093366243223
Energy: 0.41841633267806994
Energy: 0.429990000018391
Energy: 0.4751978551639348
Energy: 0.4490660967019018
Energy: 0.4184163326821089
Energy: 0.42999000001967613
Energy: 0.47519785516040064
Energy: 0.4165171548514168
Energy: 0.4391415059810544
Energy: 0.45023720540848744
Energy: 0.4302415364624137
Energy: 0.4165171548534364
Energy: 0.4391415059815592
Energy: 0.45023720540798257
Energy: 0.43269491017277034
Energy: 0.4356570902442298
Energy: 0.4750239393203752
Energy: 0.4599418497926292
Energy: 0.4326949101707508
Energy: 0.4356570902492785
Energy: 0.47502393932693854
Energy: 0.4163106427877902
Energy: 0.44654687953059924
Energy: 0.48093829084248196
Energy: 0.454999084219574
Energy: 0.41631064278021707
Energy: 0.44654687953463823
Energy: 0.48093829084831097
Energy: 0.4286331320170374
Energy: 0.4357754469640527
Energy: 0.4779156745417186
Energy: 0.4369501959092542
Energy: 0.42863313201832254
Energy: 0.4357754469590039
Energy: 0.47791567454474787
Energy: 0.42952107117454597
Energy: 0.4421183214519809
Energy: 0.46133784371699166
Energy: 0.4205666462080767
Energy: 0.4295210711757852
Energy: 0.44211832144720753
Energy: 0.46133784371726705
Energy: 0.40540752931187757
Energy: 0.4446126306951607
Energy: 0.45230564848677257
Energy: 0.45396355191943116
Energy: 0.4054075293141265
Energy: 0.4446126306974556
Energy: 0.4523056484903067

minimum gb energy = 0.40540752931187757 eV
minimum distance =  2.62344190565061 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.45101431534243147
Energy: 0.3508835757389057
Energy: 0.4277623646612295
Energy: 0.3508835757354908
Energy: 0.45101431534243147
Energy: 0.35088357573605994
Energy: 0.42776238172470427
Energy: 0.4510143153412932
Energy: 0.3508835757377674
Energy: 0.4849938868618424
Energy: 0.3508835757377674
Energy: 0.4510143153418623
Energy: 0.35088357573662915
Energy: 0.48499387996683524
Energy: 0.4510143153412932
Energy: 0.35088357573662915
Energy: 0.43679177563442484
Energy: 0.35088357573719825
Energy: 0.4510143153418623
Energy: 0.35088357573662915
Energy: 0.4367918264892064
Energy: 0.45101431534300057
Energy: 0.3508835757389057
Energy: 0.4220795422577327
Energy: 0.35088357573662915
Energy: 0.45101431534300057
Energy: 0.35088357573719825
Energy: 0.4220794469852445
Energy: 0.451014315340724
Energy: 0.35088357573719825
Energy: 0.4826879360862004
Energy: 0.3508835757389057
Energy: 0.4510143153418623
Energy: 0.3508835757389057
Energy: 0.48268793619827105
Energy: 0.4510143153412932
Energy: 0.3508835757377674
Energy: 0.5002691901412546
Energy: 0.3508835757377674
Energy: 0.4510143153418623
Energy: 0.35088357573605994
Energy: 0.5002691901412546
Energy: 0.45101431534300057
Energy: 0.3508835757383365
Energy: 0.4943105890917156
Energy: 0.3508835757377674
Energy: 0.4510143153418623
Energy: 0.35088357573719825
Energy: 0.4943105890928539
Energy: 0.4510143153412932
Energy: 0.35088357573719825
Energy: 0.48163114942855906
Energy: 0.35088357573662915
Energy: 0.4510143153418623
Energy: 0.3508835757394749
Energy: 0.4816311494296715
Energy: 0.4510143153412932
Energy: 0.35088357573662915
Energy: 0.41768905723560434
Energy: 0.3508835757389057
Energy: 0.4510143153412932
Energy: 0.35088357573605994
Energy: 0.417689056935223
Energy: 0.45101431534243147
Energy: 0.35088357573662915
Energy: 0.4365456053237752
Energy: 0.3508835757383365
Energy: 0.45101431534243147
Energy: 0.3508835757354908
Energy: 0.4365456053237752
Energy: 0.4510143153412932
Energy: 0.3508835757383365
Energy: 0.4279652241942767
Energy: 0.3508835757377674
Energy: 0.45101431534243147
Energy: 0.3508835757383365
Energy: 0.42796522419484584
Energy: 0.4510143153412932
Energy: 0.3508835757383365
Energy: 0.414053881047192
Energy: 0.35088357573719825
Energy: 0.4510143153418623
Energy: 0.35088357573719825
Energy: 0.4140538810460537
Energy: 0.45101431534243147
Energy: 0.35088357573605994
Energy: 0.4140538810437771
Energy: 0.3508835757383365
Energy: 0.45101431534243147
Energy: 0.35088357573605994
Energy: 0.4140538810437771
Energy: 0.4510143153412932
Energy: 0.35088357573605994
Energy: 0.414053881047192
Energy: 0.35088357573662915
Energy: 0.45101431534243147
Energy: 0.35088357573605994
Energy: 0.41405388104833024
Energy: 0.4510143153412932
Energy: 0.35088357573719825
Energy: 0.414053881047192
Energy: 0.3508835757383365
Energy: 0.4510143153418623
Energy: 0.3508835757383365
Energy: 0.4140538810460537
Energy: 0.45101431534300057
Energy: 0.3508835757377674
Energy: 0.4140538810460537
Energy: 0.3508835757377674
Energy: 0.45101431534243147
Energy: 0.35088357573662915
Energy: 0.41405388104776114
Energy: 0.4510143153412932
Energy: 0.3508835757354908
Energy: 0.4140538810454845
Energy: 0.3508835757377674
Energy: 0.4510143153418623
Energy: 0.35088357573605994
Energy: 0.41405388104889945
Energy: 0.4510143153418623
Energy: 0.35088357573662915
Energy: 0.414053881047192
Energy: 0.35088357573605994
Energy: 0.4510143153418623
Energy: 0.3508835757354908
Energy: 0.41405388104491536
Energy: 0.45101431534243147
Energy: 0.35088357573719825
Energy: 0.4140538810466228
Energy: 0.3508835757383365
Energy: 0.45101431534243147
Energy: 0.35088357573662915
Energy: 0.4140538810466228
Energy: 0.4510143153412932
Energy: 0.35088357573605994
Energy: 0.4140538810454845
Energy: 0.35088357573662915
Energy: 0.45101431534243147
Energy: 0.35088357573662915
Energy: 0.41405388104491536

minimum gb energy = 0.3508835757354908 eV
minimum distance =  2.68591356456877 Angstroms
sigma value = 23