Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_000
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=4.0419338792562485
cohesive_energy=3.3704402760057754
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: 0.0 eV

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

Energy: 0.01178445581981632
Energy: 0.16009542221316236
Energy: 0.16009542221316236
Energy: 0.01178445581981632
Energy: 0.16009542221316236
Energy: 0.16009542221316236
Energy: 0.01178445581981632
Energy: 0.16009542221316236
Energy: 0.16009542221316236
Energy: 0.01178445581981632
Energy: 0.15890267190085489
Energy: 0.0357566691658007
Energy: 0.1596700231279793
Energy: 0.15890267190085489
Energy: 0.0357566691658007
Energy: 0.1596700230748171
Energy: 0.15890267189969864
Energy: 0.0357566691658007
Energy: 0.15967002315226095
Energy: 0.15890267189969864
Energy: 0.4597397449027918
Energy: 0.5610418697068148
Energy: 0.5610418697056586
Energy: 0.4597397447352114
Energy: 0.5610418697068148
Energy: 0.5610418697068148
Energy: 0.4597397448958805
Energy: 0.5610418697056586
Energy: 0.5610418697068148
Energy: 0.45973974488778657
Energy: 0.15890267190085489
Energy: 0.15967002277547437
Energy: 0.0357566691658007
Energy: 0.15890267190085489
Energy: 0.15967002285638704
Energy: 0.0357566691658007
Energy: 0.15890267190085489
Energy: 0.1596700228506057
Energy: 0.035756669166956974
Energy: 0.15890267190085489
Energy: 0.01178445581981632
Energy: 0.16009542221316236
Energy: 0.16009542221316236
Energy: 0.01178445581981632
Energy: 0.16009542221316236
Energy: 0.16009542221316236
Energy: 0.01178445581981632
Energy: 0.16009542221316236
Energy: 0.16009542221316236
Energy: 0.01178445581981632
Energy: 0.15890267190085489
Energy: 0.0357566691658007
Energy: 0.15967002332793526
Energy: 0.15890267190085489
Energy: 0.0357566691658007
Energy: 0.1596700231984855
Energy: 0.15890267190085489
Energy: 0.035756669166956974
Energy: 0.15967002326089785
Energy: 0.15890267190085489
Energy: 0.4597397449155108
Energy: 0.5610418697056586
Energy: 0.5610418697068148
Energy: 0.45973974486119235
Energy: 0.5610418697068148
Energy: 0.5610418697068148
Energy: 0.45973974492244835
Energy: 0.5610418697056586
Energy: 0.5610418697068148
Energy: 0.45973974491204195

minimum gb energy = 0.01178445581981632 eV
minimum distance =  2.60178816375589 Angstroms
sigma value = 3


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

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Energy: 0.6984656596256783
Energy: 0.7171303648770565
Energy: 0.5700674248370212
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Energy: 0.698465707392557
Energy: 0.7171303974459058
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Energy: 0.7171303964074915
Energy: 0.5852360985187794
Energy: 0.6984657151566157
Energy: 0.7171303994842413
Energy: 0.5700674248313569
Energy: 0.7307141069348538
Energy: 0.5740905431440356
Energy: 0.7931870769752718
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Energy: 0.5740905431431859
Energy: 0.7931870769730061
Energy: 0.7307141069229585
Energy: 0.5740905431457349
Energy: 0.793187076974422
Energy: 0.7307141069003259
Energy: 0.7662129897972536
Energy: 0.7069885465232202
Energy: 0.7870712456516992
Energy: 0.770978720977538
Energy: 0.7069885464609358
Energy: 0.7870712456508495
Energy: 0.7662129898000858
Energy: 0.7069885465467279
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Energy: 0.7417800858840273
Energy: 0.7320072055478503
Energy: 0.55602579945896
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Energy: 0.7417800858775131
Energy: 0.7320072055492665
Energy: 0.5560258022245717
Energy: 0.7417800858851603

minimum gb energy = 0.554945688698094 eV
minimum distance =  2.52126074870219 Angstroms
sigma value = 75


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

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Energy: 0.5492716531027515
Energy: 0.5633368693645809
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minimum gb energy = 0.5177406339287235 eV
minimum distance =  2.53077842982381 Angstroms
sigma value = 105


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

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Energy: 0.7130975514906719
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Energy: 0.7130975513098712
Energy: 0.702041650861257
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Energy: 0.7130975512626725
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Energy: 0.6812868472136
Energy: 0.6791416391421582
Energy: 0.6780988997583854
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Energy: 0.6811547662492616
Energy: 0.678098899751072
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Energy: 0.679141643431397
Energy: 0.6780988997487191
Energy: 0.681286814993212
Energy: 0.7782259830923312
Energy: 0.6705777966515817
Energy: 0.7588188615607957
Energy: 0.7782259830934083
Energy: 0.700989851291207
Energy: 0.7588188615600019
Energy: 0.7782259830935784
Energy: 0.6705777966565708
Energy: 0.7588188615590665
Energy: 0.7782259830929549
Energy: 0.6977853453167134
Energy: 0.6854809635176803
Energy: 0.6129923629112928
Energy: 0.6977853453188964
Energy: 0.6854809635262697
Energy: 0.6129923628375606
Energy: 0.6977853453221563
Energy: 0.6854809634963347
Energy: 0.6129923626353009
Energy: 0.697785345327769
Energy: 0.6606008340605557
Energy: 0.7634914115430503
Energy: 0.677644822694867
Energy: 0.6606008340574374
Energy: 0.7681144325898785
Energy: 0.6776444396622833
Energy: 0.6606008340588265
Energy: 0.7634914116167539
Energy: 0.6776448796765816
Energy: 0.6606008340541492
Energy: 0.7206192280096005
Energy: 0.7241126186147541
Energy: 0.7149093297164236
Energy: 0.7206192279195404
Energy: 0.7421182212830899
Energy: 0.7149093322716149
Energy: 0.7206192285418256
Energy: 0.7241126254518704
Energy: 0.7149093254664463
Energy: 0.720619229195095
Energy: 0.7213126189398473
Energy: 0.6194497295308896
Energy: 0.7209189912239737
Energy: 0.7213126189890869
Energy: 0.6144602500468226
Energy: 0.7209189912230382
Energy: 0.7213126189702358
Energy: 0.6194497295301242
Energy: 0.7209189912270919
Energy: 0.7213126190096674

minimum gb energy = 0.5883191316295191 eV
minimum distance =  2.49939442369322 Angstroms
sigma value = 165


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

Energy: 0.6117793819999955
Energy: 0.7698529265742539
Energy: 0.75137414273523
Energy: 0.6117793820005308
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Energy: 0.7513740156544411
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Energy: 0.7698529265539144
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Energy: 0.7142812469863422
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Energy: 0.7043195178807792
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Energy: 0.7408623852185361
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Energy: 0.6932719307989412
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Energy: 0.6428566514397507
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Energy: 0.7176441157981133
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Energy: 0.6795048752245373
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Energy: 0.8164517900966182
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Energy: 0.7753810250242033
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Energy: 0.7195083442558954
Energy: 0.6746478806365311
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Energy: 0.6746478806146102
Energy: 0.7247111530790664
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Energy: 0.6746478806033699
Energy: 0.724711153695406
Energy: 0.7195083442558954
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Energy: 0.6125082233151821
Energy: 0.7743061687727559
Energy: 0.7441771608183803
Energy: 0.612508223347808
Energy: 0.7743061687738264
Energy: 0.7441771608183803
Energy: 0.612508223337103
Energy: 0.7743061687781084
Energy: 0.7441771608189154
Energy: 0.7064890518899286
Energy: 0.6731225604992875
Energy: 0.7668533216017135
Energy: 0.706489051888858
Energy: 0.6731225604992875
Energy: 0.7668533215894028
Energy: 0.706489051888858
Energy: 0.6731225604998228
Energy: 0.7668533215920791
Energy: 0.7064890518893933
Energy: 0.6973997469915737
Energy: 0.7297974593621088
Energy: 0.71029706725538
Energy: 0.6973997509324683
Energy: 0.729784967981251
Energy: 0.7102970668846225
Energy: 0.6973997532699263
Energy: 0.7297789890615481
Energy: 0.7102970668386155
Energy: 0.697399760500074
Energy: 0.6117793819999955
Energy: 0.7698529266218667
Energy: 0.7513710455071632
Energy: 0.6117793819999955
Energy: 0.7698529265822825
Energy: 0.751371328954226
Energy: 0.6117793819999955
Energy: 0.7698529266127675
Energy: 0.7513709626461662
Energy: 0.6117793820010661

minimum gb energy = 0.610151498942576 eV
minimum distance =  2.6102648168359 Angstroms
sigma value = 41


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

Energy: 0.668940653084792
Energy: 0.6644745721351653
Energy: 0.6965363362353564
Energy: 0.6454667680260319
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Energy: 0.7005630770046096
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Energy: 0.7138899378837961
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Energy: 0.6665757132731891
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Energy: 0.6888136743965996
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Energy: 0.6665740739767083
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Energy: 0.7036805112201603
Energy: 0.6675820451373591
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Energy: 0.6573019722771675
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Energy: 0.7036803726151462
Energy: 0.6675820451365283
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Energy: 0.5916072766451459
Energy: 0.6072696277636449
Energy: 0.6156957806988906
Energy: 0.5916072766434846
Energy: 0.631590236415832
Energy: 0.6278492585647215
Energy: 0.5916072766438999
Energy: 0.607269627522443
Energy: 0.6156957805861811
Energy: 0.5916072766432958
Energy: 0.6413574796476992
Energy: 0.5947292799133534
Energy: 0.6055895698699274
Energy: 0.6413574796491718
Energy: 0.601882563271362
Energy: 0.6055895697692253
Energy: 0.6413574796584981
Energy: 0.5947292794263807
Energy: 0.6055895698559945
Energy: 0.6413574796466798
Energy: 0.7021866644225401
Energy: 0.614684582626504
Energy: 0.6778662303176725
Energy: 0.7021866644289968
Energy: 0.6161263997016634
Energy: 0.6778662302143271
Energy: 0.7021866644100798
Energy: 0.6146845826277502
Energy: 0.6778662302944508
Energy: 0.7021866644252588
Energy: 0.719097311986219
Energy: 0.6460709984297234
Energy: 0.5643247440112042
Energy: 0.7190972562073537
Energy: 0.6460709989142419
Energy: 0.5643247440122237
Energy: 0.7190972942835867
Energy: 0.6460709982539194
Energy: 0.5643247440126391
Energy: 0.7190972349792001

minimum gb energy = 0.5629323209984981 eV
minimum distance =  2.51695612681101 Angstroms
sigma value = 185


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

Energy: 0.4569802482763138
Energy: 0.35475958059200835
Energy: 0.3565449246329622
Energy: 0.28642685034333265
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Energy: 0.3780511306414481
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Energy: 0.4417343555545027
Energy: 0.3508648333076454
Energy: 0.4396741493827366
Energy: 0.44173435558852214
Energy: 0.3722019582271186
Energy: 0.40720216171745666
Energy: 0.3384716880427786
Energy: 0.3858330170171952
Energy: 0.418399796473009
Energy: 0.33847166600868744
Energy: 0.3722019588441301
Energy: 0.40720216251680164
Energy: 0.3384716751243305
Energy: 0.3858330091562825
Energy: 0.3921973257810375
Energy: 0.38869821262315796
Energy: 0.3546218903665091
Energy: 0.39659724882269504
Energy: 0.4201044311798938
Energy: 0.3546218867612993
Energy: 0.39219732578227007
Energy: 0.3886982125191723
Energy: 0.35462188777675063
Energy: 0.3965972488224485
Energy: 0.4112857142131831
Energy: 0.47731018539300113
Energy: 0.37551169037288584
Energy: 0.3922527944665323
Energy: 0.4773101857372295
Energy: 0.3755116979314558
Energy: 0.4112857142131831
Energy: 0.4773101848962455
Energy: 0.3755116886359443
Energy: 0.392252794504227

minimum gb energy = 0.28642685034333265 eV
minimum distance =  2.64666594613692 Angstroms
sigma value = 33


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

Energy: 0.5407785576536445
Energy: 0.6155331031036977
Energy: 0.6174600217958474
Energy: 0.5311376254079656
Energy: 0.6155331031023443
Energy: 0.617460021724171
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Energy: 0.6633197012780545
Energy: 0.6185712012626746
Energy: 0.622670595851242
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Energy: 0.6150408450849232
Energy: 0.6226705948123654
Energy: 0.6064160265310038
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Energy: 0.5964905348381625
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Energy: 0.639444093405836
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Energy: 0.5428516041653808
Energy: 0.6775904752025732
Energy: 0.6326921829625438
Energy: 0.5428516041653808

minimum gb energy = 0.523087025449281 eV
minimum distance =  2.51409025436529 Angstroms
sigma value = 219


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

Energy: 0.6135321536905725
Energy: 0.7228149858995033
Energy: 0.727559849359561
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Energy: 0.7251984219974643
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Energy: 0.7251984185579291
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Energy: 0.6997238624799587
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Energy: 0.6997238624916021
Energy: 0.7269692531040741
Energy: 0.7248123319487964
Energy: 0.6997238624862282

minimum gb energy = 0.6135321536905725 eV
minimum distance =  2.57998739457772 Angstroms
sigma value = 15


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

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minimum gb energy = 0.639515486541726 eV
minimum distance =  2.50257276479797 Angstroms
sigma value = 293


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

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Energy: 0.7566423708995813
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Energy: 0.6645152884916781
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Energy: 0.6980454377698273
Energy: 0.7831169296782617
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Energy: 0.7831169296740134
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Energy: 0.7831169296808916
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Energy: 0.6610452001061311
Energy: 0.6934223353404934
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Energy: 0.6610452000927974
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Energy: 0.6610452001008896
Energy: 0.6934223353425164
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Energy: 0.6610452000962366
Energy: 0.6844055053527884
Energy: 0.7129517359460618
Energy: 0.6590165863124655
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Energy: 0.6246734076287309
Energy: 0.6814567577145996
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Energy: 0.650192049889567
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Energy: 0.7409082405616252
Energy: 0.7337253851147985
Energy: 0.7997753864834285
Energy: 0.7260137947230845
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Energy: 0.7997753864826194
Energy: 0.7260137084319247
Energy: 0.7303739067604499
Energy: 0.7997753864872724
Energy: 0.7260138441995488
Energy: 0.7388219087635222
Energy: 0.7997753864799894
Energy: 0.6581196097849558
Energy: 0.7160466422610507
Energy: 0.7418921298822309
Energy: 0.6581196097821234
Energy: 0.7160466423918871
Energy: 0.7418921292155247
Energy: 0.6581196097756496
Energy: 0.7160466424036207
Energy: 0.7418921293016699
Energy: 0.6581196097780774
Energy: 0.7077656581770809
Energy: 0.6841138269576891
Energy: 0.682893271664712
Energy: 0.7077656582302689
Energy: 0.6841138240374867
Energy: 0.6828932720770284
Energy: 0.7077656582399795
Energy: 0.6841138249478602
Energy: 0.682893272110795
Energy: 0.7077656582751622
Energy: 0.6684783160100601
Energy: 0.7386010484341261
Energy: 0.7074325375083399
Energy: 0.6684783160114763
Energy: 0.7386032333877565
Energy: 0.7074325346686183
Energy: 0.6684783160094532
Energy: 0.7385988753497249
Energy: 0.7074325373081313
Energy: 0.6684783160096556
Energy: 0.7951020222398522
Energy: 0.7178252723827745
Energy: 0.7213031042096436
Energy: 0.795102022243696
Energy: 0.7178252717635735
Energy: 0.7213031046895116
Energy: 0.7951020222443029
Energy: 0.7178252713203226
Energy: 0.7213031045463347
Energy: 0.7951020222465283
Energy: 0.7352133794722081
Energy: 0.7566423701764688
Energy: 0.667130708449308
Energy: 0.7352133801435488
Energy: 0.7566423703546078
Energy: 0.6659008450216903
Energy: 0.7352133803063309
Energy: 0.7566423707762303
Energy: 0.6671307084495103
Energy: 0.7352133831846744
Energy: 0.6980454377694227
Energy: 0.7831169296679441
Energy: 0.6561827372152221
Energy: 0.6980454377698273
Energy: 0.7831169296772502
Energy: 0.6561827372127945
Energy: 0.6980454377694227
Energy: 0.7831169296756317
Energy: 0.6561827372142107
Energy: 0.6980454377690181

minimum gb energy = 0.6246734053936444 eV
minimum distance =  2.5584742203626 Angstroms
sigma value = 293


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

Energy: 0.5990223940101832
Energy: 0.6206283489689621
Energy: 0.6543077166886537
Energy: 0.5972728659523824
Energy: 0.6206283489590897
Energy: 0.6543077166751248
Energy: 0.5993986447451077
Energy: 0.6206283484492479
Energy: 0.6543077166791469
Energy: 0.5969517849628747
Energy: 0.6617666687434967
Energy: 0.604157427308667
Energy: 0.6553784420353136
Energy: 0.6617666687449593
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Energy: 0.6617666687445937
Energy: 0.6041574315939586
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Energy: 0.661766668744228
Energy: 0.6455476430428764
Energy: 0.6526887981195265
Energy: 0.772896774659102
Energy: 0.6455476745525907
Energy: 0.6526887981209892
Energy: 0.7728967746547143
Energy: 0.6455477372112938
Energy: 0.6526887981206235
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Energy: 0.6455477744510457
Energy: 0.7672557209691311
Energy: 0.625244851852278
Energy: 0.6522233630910589
Energy: 0.7672557209768096
Energy: 0.6226872648873815
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Energy: 0.7672557210711128
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Energy: 0.6041574246954694
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Energy: 0.6617666687456906
Energy: 0.6041574312653768
Energy: 0.6553784420868363
Energy: 0.6617666687434967
Energy: 0.6041574310687595
Energy: 0.6553784420473799
Energy: 0.661766668744228
Energy: 0.6041574390403002
Energy: 0.6526887981198923
Energy: 0.772896774665667
Energy: 0.645547672394056
Energy: 0.6526887981202579
Energy: 0.7728967746572738
Energy: 0.6455476898089408
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Energy: 0.7728967746514235
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Energy: 0.6522233630910589
Energy: 0.7672557210107979
Energy: 0.6263339770152474
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Energy: 0.6212228986884137
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Energy: 0.7672557211197103
Energy: 0.6206280243681941
Energy: 0.6118951456698369
Energy: 0.654480522987266
Energy: 0.6520761664658753
Energy: 0.6118953117286599
Energy: 0.6544805795533614
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Energy: 0.5950422877176614
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Energy: 0.6041574265660089
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Energy: 0.6041574280783827
Energy: 0.6553784420290977
Energy: 0.7728967746693235
Energy: 0.6455476523648765
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Energy: 0.772896774660199
Energy: 0.6455476993060018
Energy: 0.6526887981198923
Energy: 0.7728967746554455
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Energy: 0.7728967746470357
Energy: 0.6522233630910589
Energy: 0.767255720992898
Energy: 0.6197520499773113
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Energy: 0.7672557210736722
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Energy: 0.6520761664936644
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Energy: 0.6520761664644127
Energy: 0.6118951542893833
Energy: 0.6544806107231753
Energy: 0.6520761664677035
Energy: 0.6118954684691391
Energy: 0.6544806780885593
Energy: 0.5960224338079543
Energy: 0.6206283491802052
Energy: 0.6543077166875567
Energy: 0.5971519324527356
Energy: 0.6206283490932315
Energy: 0.6543077166721997
Energy: 0.5969894535671757
Energy: 0.6206283485139338
Energy: 0.6543077166747592
Energy: 0.5995008691107026
Energy: 0.6617666687449593
Energy: 0.6041574221418388
Energy: 0.6553784420799058
Energy: 0.6617666687453249
Energy: 0.6041574284467865
Energy: 0.6553784420777118
Energy: 0.6617666687449593
Energy: 0.6041574307376183
Energy: 0.6553784420173969
Energy: 0.6617666687453249
Energy: 0.645547573201362
Energy: 0.6526887981202579
Energy: 0.7728967746700548
Energy: 0.6455476048718936
Energy: 0.6526887981202579
Energy: 0.7728967746660326
Energy: 0.6455476700845764
Energy: 0.6526887981195265
Energy: 0.772896774658005
Energy: 0.6455477312111609
Energy: 0.7672557209037139
Energy: 0.6218686671629927
Energy: 0.6522233630910589
Energy: 0.7672557209607378
Energy: 0.6252728166675046
Energy: 0.6522233630910589
Energy: 0.7672557210053133
Energy: 0.6126397526083907
Energy: 0.6522233630914247
Energy: 0.7672557210517336
Energy: 0.6520761665521343
Energy: 0.6118952217545384
Energy: 0.6544805467465551
Energy: 0.6520761665345832
Energy: 0.6118952383488996
Energy: 0.6544805643602511
Energy: 0.6520761665239964
Energy: 0.6118954483851462
Energy: 0.6544806662217039
Energy: 0.6520761665144894
Energy: 0.6206283507923501
Energy: 0.6543077166667316
Energy: 0.5969057358875314
Energy: 0.6206283500705339
Energy: 0.6543077166696568
Energy: 0.5970968113256236
Energy: 0.6206283498921656
Energy: 0.6543077166711028
Energy: 0.59737709536696
Energy: 0.620628348971156
Energy: 0.6041574203195478
Energy: 0.6553784420773462
Energy: 0.6617666687453249
Energy: 0.6041574250956677
Energy: 0.6553784420864707
Energy: 0.661766668744228
Energy: 0.6041574275897315
Energy: 0.6553784420462828
Energy: 0.6617666687434967
Energy: 0.6041574344903979

minimum gb energy = 0.5950422877176614 eV
minimum distance =  2.5704173163732 Angstroms
sigma value = 15


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

Energy: 0.6605671839603484
Energy: 0.7384903221805403
Energy: 0.7192997385224463
Energy: 0.6321452989280151
Energy: 0.7384903884628569
Energy: 0.7199721898624614
Energy: 0.6605671839586909
Energy: 0.7384897111499448
Energy: 0.7198908053728467
Energy: 0.6321452989379598
Energy: 0.7212763735637633
Energy: 0.6687052887408541
Energy: 0.7227457067931368
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Energy: 0.6514915480615149
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Energy: 0.6309008792713361
Energy: 0.7798921366885591
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Energy: 0.6299777079122176
Energy: 0.7798921366636972
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Energy: 0.7134394822108753
Energy: 0.6670050979428563
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Energy: 0.6670050979411989
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Energy: 0.7134394822357373
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Energy: 0.664760349663449
Energy: 0.6883262339368152
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Energy: 0.6647601840288838
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Energy: 0.6812707228422763
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Energy: 0.6812707228389614
Energy: 0.6692290495467331
Energy: 0.6959884447409094
Energy: 0.6796014235270276
Energy: 0.6731883574968898
Energy: 0.6959951639170643
Energy: 0.6796015046370637
Energy: 0.6692290495434181
Energy: 0.6959901749814535
Energy: 0.6796014839610931
Energy: 0.6731883574952323
Energy: 0.7176530357378117
Energy: 0.654802276730429
Energy: 0.6945223860804821
Energy: 0.7177349921029723
Energy: 0.654802276730429
Energy: 0.6945212052386349
Energy: 0.7036145053727564
Energy: 0.6548022767320864
Energy: 0.6945223549307048
Energy: 0.7180130385949007
Energy: 0.7425076989655168
Energy: 0.6960078881589566
Energy: 0.7422484353298832
Energy: 0.7425076989655168
Energy: 0.6960078880744561
Energy: 0.7422484337941085
Energy: 0.7425076989671743
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Energy: 0.7422484315790456
Energy: 0.7425076989671743
Energy: 0.8184012043823936
Energy: 0.648611950501599
Energy: 0.7216131970899958
Energy: 0.8233881581159068
Energy: 0.6419582286435018
Energy: 0.7216131970817085
Energy: 0.818401204377421
Energy: 0.6486119505132013
Energy: 0.7216131970899958
Energy: 0.8233881580827576
Energy: 0.7550997366082407
Energy: 0.6573059875353157
Energy: 0.7431835494431802
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Energy: 0.6573059875800671
Energy: 0.7431835494498102
Energy: 0.7550997366098982
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Energy: 0.7570622241487609
Energy: 0.7725404308989997
Energy: 0.6444575892324594
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Energy: 0.7725404415848712
Energy: 0.6224060298700524
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Energy: 0.7725404282200581
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Energy: 0.7570622249920477
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Energy: 0.7492643583399999
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Energy: 0.7492643417031749
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Energy: 0.647369455699827
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Energy: 0.679049989098382
Energy: 0.7470594740944365
Energy: 0.7644621642969537
Energy: 0.6595298418930359
Energy: 0.7470594740927791
Energy: 0.7627516243021657
Energy: 0.6790499930844587
Energy: 0.7470594740944365
Energy: 0.7644621643002687
Energy: 0.6595298414473895
Energy: 0.6596128398967311
Energy: 0.7806081869664656
Energy: 0.7685923736964032
Energy: 0.6596128398983886
Energy: 0.7806092197317297
Energy: 0.7685923736980608
Energy: 0.6596128399017034
Energy: 0.7806080340273999
Energy: 0.7685923736980608
Energy: 0.6596128399066759
Energy: 0.758395460751449
Energy: 0.6277042641720982
Energy: 0.73913643686555
Energy: 0.7583954607083853
Energy: 0.6277042649259122
Energy: 0.7391382739086069
Energy: 0.7583954609105052
Energy: 0.6277041942582514
Energy: 0.7391361219069049
Energy: 0.7583954608078028
Energy: 0.7559637859916973
Energy: 0.7403961514608863
Energy: 0.6501378075518336
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Energy: 0.7403961514658588
Energy: 0.6578223008532427
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Energy: 0.7403961514559441
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Energy: 0.7559637859883825
Energy: 0.8007583201511
Energy: 0.7400207747516635
Energy: 0.6338149497897905
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Energy: 0.740020774753321
Energy: 0.6338149497931054
Energy: 0.8007583201527575
Energy: 0.7381739181441453
Energy: 0.7223204808932765
Energy: 0.7071157158471144
Energy: 0.7381739181474603
Energy: 0.7223204750665725
Energy: 0.707115715867004
Energy: 0.7381739181424878
Energy: 0.7223204734114907
Energy: 0.7071157158620316
Energy: 0.7381739181441453
Energy: 0.8358834324939775
Energy: 0.7486967909662658
Energy: 0.6467298869999752
Energy: 0.8358834325155245
Energy: 0.7486967909447187
Energy: 0.6467298869999752
Energy: 0.8358834324856902
Energy: 0.748696790931459
Energy: 0.6467298870215222
Energy: 0.8358834325271268
Energy: 0.6774158525004695
Energy: 0.7311673281295719
Energy: 0.6849991701715764
Energy: 0.6774158525004695
Energy: 0.7311673329572478
Energy: 0.6848071621562062
Energy: 0.6774158524988121
Energy: 0.7311673320079435
Energy: 0.6838509014057175
Energy: 0.6774158524988121
Energy: 0.7124297323637662
Energy: 0.6897958922128739
Energy: 0.7237243119315241
Energy: 0.7124297672229747
Energy: 0.6897957763695965
Energy: 0.7237243120723481
Energy: 0.7124298145788476
Energy: 0.6897958913414403
Energy: 0.7237243122280591
Energy: 0.7124298773107889
Energy: 0.7974427675510035
Energy: 0.6528196475510548
Energy: 0.7666240902294548
Energy: 0.7974426729104684
Energy: 0.6528196475527124
Energy: 0.7666240902012779
Energy: 0.7974427655960415
Energy: 0.6528196475527124
Energy: 0.766624090216195
Energy: 0.7974426639575191
Energy: 0.6619906227926822
Energy: 0.8446307949633348
Energy: 0.6533646949148177
Energy: 0.6619906227910247
Energy: 0.8441363169857141
Energy: 0.653364694901558
Energy: 0.6619906227860826
Energy: 0.8445773577584293
Energy: 0.653364694889986
Energy: 0.6619906227910247
Energy: 0.7354461988070159
Energy: 0.6279937277965308
Energy: 0.781260005875718
Energy: 0.7354464287159572
Energy: 0.6268560468921147
Energy: 0.7812613660333683
Energy: 0.7354463169747186
Energy: 0.6279937277965308
Energy: 0.7812591225671005
Energy: 0.7354477172566124
Energy: 0.7579089855784923
Energy: 0.6797382720093125
Energy: 0.730069933039414
Energy: 0.7579089855834346
Energy: 0.6797382719513314
Energy: 0.730069930542703
Energy: 0.757908985585092
Energy: 0.6797382720225722
Energy: 0.7300699260745157
Energy: 0.7579089855801195
Energy: 0.7339690679126798
Energy: 0.6686419440051448
Energy: 0.6234362643814974
Energy: 0.7339690673759032
Energy: 0.6686812565586695
Energy: 0.6334666271487104
Energy: 0.7339690677701984
Energy: 0.6686052793993963
Energy: 0.6234362643533506
Energy: 0.7339690676956426
Energy: 0.6563366819217346
Energy: 0.6686795860025658
Energy: 0.761526075012094
Energy: 0.656336681923392
Energy: 0.6686795860091956
Energy: 0.76152607466915
Energy: 0.656336681923392
Energy: 0.6686795860042233
Energy: 0.761526076513092
Energy: 0.656336681926707
Energy: 0.6728557953607611
Energy: 0.7533428856687884
Energy: 0.7491210110085299
Energy: 0.6728557851221935
Energy: 0.7533428856704458
Energy: 0.7491210110085299
Energy: 0.6728558130297632
Energy: 0.7533428856654735
Energy: 0.7491210110101875
Energy: 0.67285577603505

minimum gb energy = 0.617855289434779 eV
minimum distance =  2.54105758062472 Angstroms
sigma value = 437


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

Energy: 0.6061888004536923
Energy: 0.7539799132898913
Energy: 0.7260531153265732
Energy: 0.6061888004530885
Energy: 0.7539799140805683
Energy: 0.7260531145805531
Energy: 0.6061888004512769
Energy: 0.753979910054722
Energy: 0.7260530550155917
Energy: 0.6061888004524846
Energy: 0.8093896947596336
Energy: 0.6276552228334138
Energy: 0.7175888515188041
Energy: 0.8093896947650683
Energy: 0.6276552228122793
Energy: 0.7175888515188041
Energy: 0.8093896947795606
Energy: 0.627655222807476
Energy: 0.717588851519408
Energy: 0.8093896947717105
Energy: 0.7066353794647604
Energy: 0.6079269698146343
Energy: 0.7888336399145438
Energy: 0.7066353794641564
Energy: 0.6079269698152382
Energy: 0.7888336399133361
Energy: 0.7066353794647604
Energy: 0.6079269698152382
Energy: 0.78883363991394
Energy: 0.7066353794641564
Energy: 0.7269054345140127
Energy: 0.7748663336445735
Energy: 0.7135414941411412
Energy: 0.7269054345146164
Energy: 0.7748663336397428
Energy: 0.7135414941417451
Energy: 0.7269054345152203
Energy: 0.7748663336409506
Energy: 0.7135414941417451
Energy: 0.7269054345158241
Energy: 0.7007949337774659
Energy: 0.640726339562156
Energy: 0.8563814104254567
Energy: 0.7007949475371738
Energy: 0.6407263395633637
Energy: 0.8563814104260605
Energy: 0.7007949128503379
Energy: 0.6407263395609483
Energy: 0.8563814104266372
Energy: 0.7007949356129555
Energy: 0.6835652876882007
Energy: 0.7757829020832622
Energy: 0.6360290980595237
Energy: 0.6835652876846051
Energy: 0.775782902071789
Energy: 0.6360290980595237
Energy: 0.683565287542757
Energy: 0.7757829019927132
Energy: 0.6360290980589199
Energy: 0.683565287467304
Energy: 0.7318127375919874
Energy: 0.6208177335090146
Energy: 0.6195287055188219
Energy: 0.7318127375454916
Energy: 0.6208177331366084
Energy: 0.6195287055200296
Energy: 0.7318127374996269
Energy: 0.6208177331414391
Energy: 0.6195287055200296
Energy: 0.7318127374911731
Energy: 0.6987450242697621
Energy: 0.7663839310296943
Energy: 0.7071969051448528
Energy: 0.6987450242691583
Energy: 0.7663839310127867
Energy: 0.7071969051454566
Energy: 0.6987450242697621
Energy: 0.7663839310224481
Energy: 0.7071969051442489
Energy: 0.6987450242691583
Energy: 0.7656414805136513
Energy: 0.6967055908240622
Energy: 0.6269983897330021
Energy: 0.7656413879542878
Energy: 0.6967055908355353
Energy: 0.6269983897372291
Energy: 0.765641263327613
Energy: 0.696705590803559
Energy: 0.6269983897384368
Energy: 0.7656410628135057
Energy: 0.6729591022257214
Energy: 0.700458620698347
Energy: 0.7371299417830915
Energy: 0.6729591022233062
Energy: 0.7004586288689421
Energy: 0.737129919803905
Energy: 0.6729591022263253
Energy: 0.7004586370364905
Energy: 0.7371299392891115
Energy: 0.6729591022233062
Energy: 0.6868995392407404
Energy: 0.7010204728433388
Energy: 0.8002035099102601
Energy: 0.6868995392407404
Energy: 0.7010204728439425
Energy: 0.8002035099096564
Energy: 0.6868995392407404
Energy: 0.7010204728433388
Energy: 0.8002035099096564
Energy: 0.6868995392413442
Energy: 0.7394200928559582
Energy: 0.615773290687063
Energy: 0.8231390886402176
Energy: 0.7394200929054732
Energy: 0.615773290687063
Energy: 0.8231390886438132
Energy: 0.7394200929084649
Energy: 0.615773290686459
Energy: 0.8231390886414253
Energy: 0.7394200928952079
Energy: 0.6121855136925086
Energy: 0.7388499574698779
Energy: 0.6368149158817586
Energy: 0.6121855137450156
Energy: 0.7337307828971342
Energy: 0.6368149158793432
Energy: 0.6121855137939267
Energy: 0.7362799776597307
Energy: 0.6368149158763241
Energy: 0.6121855140781994
Energy: 0.7288993209735113
Energy: 0.6526176925340529
Energy: 0.7396017202354238
Energy: 0.7288993108750937
Energy: 0.6526176925412991
Energy: 0.7396017202191475
Energy: 0.7288992195621165
Energy: 0.6526176925437143
Energy: 0.7396017202046553
Energy: 0.7288992206503507

minimum gb energy = 0.6061888004512769 eV
minimum distance =  2.54204537634349 Angstroms
sigma value = 33