Model name: model_name=MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098572611809
cohesive_energy=4.242432871290793
mass=55.845
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: 0.01859464783521812
Energy: 0.3256690694421446
Energy: 0.32566906944359314
Energy: 0.01859464783521812
Energy: 0.3256690694421446
Energy: 0.3256690694421446
Energy: 0.01859464783521812
Energy: 0.3256690694421446
Energy: 0.3256690694421446
Energy: 0.01859464783521812
Energy: 0.3229133583959384
Energy: 0.02266069384271182
Energy: 0.32274263963587735
Energy: 0.3229133583959384
Energy: 0.022660693841263183
Energy: 0.3227424975950249
Energy: 0.3229133583959384
Energy: 0.022660693841263183
Energy: 0.32274238199454236
Energy: 0.3229133583959384
Energy: 0.8072901851065789
Energy: 0.19337965279626002
Energy: 0.19337965279626002
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Energy: 0.19337965279626002
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Energy: 0.8071389607402251
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Energy: 0.19337965279626002
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Energy: 0.32274245389603556
Energy: 0.02266069384271182
Energy: 0.3229133583959384
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Energy: 0.32274278339981627
Energy: 0.02266069384271182
Energy: 0.3229133583959384
Energy: 0.01859464783521812
Energy: 0.3256690694421446
Energy: 0.3256690694421446
Energy: 0.01859464783521812
Energy: 0.3256690694421446
Energy: 0.3256690694421446
Energy: 0.018594647833769483
Energy: 0.3256690694421446
Energy: 0.3256690694421446
Energy: 0.01859464783521812
Energy: 0.3229133583959384
Energy: 0.022660693841263183
Energy: 0.32274239786306413
Energy: 0.3229133583959384
Energy: 0.02266069384271182
Energy: 0.32274202461255475
Energy: 0.3229133583959384
Energy: 0.022660693841263183
Energy: 0.3227424848164764
Energy: 0.3229133583959384
Energy: 0.8072716667931735
Energy: 0.19337965279626002
Energy: 0.3047137789603687
Energy: 0.8072885274677025
Energy: 0.19337965279626002
Energy: 0.3047137452496578
Energy: 0.8073143972052718
Energy: 0.19337965279626002
Energy: 0.5190399560436754
Energy: 0.8075778644846465

minimum gb energy = 0.018594647833769483 eV
minimum distance =  2.3053410068853 Angstroms
sigma value = 3


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

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Energy: -0.6788041682330902
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Energy: 0.6018964151240533

minimum gb energy = -0.9933901313995211 eV
minimum distance =  2.42274118337299 Angstroms
sigma value = 75


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

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minimum gb energy = 0.4516998497213023 eV
minimum distance =  2.30148379648379 Angstroms
sigma value = 105


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

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Energy: 0.7317418416284885
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Energy: 0.7317418416206752
Energy: 0.8390267993720375
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Energy: 0.7051434843600847
Energy: 0.7060243028655365
Energy: 0.7364183330799393
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Energy: 0.7364183330838461
Energy: 0.7051434843600847
Energy: 0.7060243028694431
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Energy: 0.7051434843620381
Energy: -0.2323208719896912
Energy: 0.856591177377144
Energy: 0.7640909995383847
Energy: -0.23232114016966066
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Energy: 0.7640909995383847
Energy: -0.2323211229703228
Energy: 0.8565911773751906
Energy: 0.7640909995383847
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Energy: 0.4960092702474263
Energy: 0.8209035458722286
Energy: 0.8723872675028397
Energy: 0.151778021799333
Energy: 0.8209035458722286
Energy: 0.8723872675028397
Energy: 0.4960092702474263
Energy: 0.8209035458722286
Energy: 0.8723872675008864
Energy: 0.014195829606027534
Energy: -0.24844434141180058
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Energy: -0.16493800735134892
Energy: 0.013850088866665854
Energy: 0.014195829652907698
Energy: -0.2484443074758888
Energy: 0.01385008761904972
Energy: 0.01419582983641513

minimum gb energy = -0.24854575894859002 eV
minimum distance =  2.37695853871226 Angstroms
sigma value = 165


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

Energy: 0.9909470707081623
Energy: 0.8983924844087035
Energy: 0.8948562574612716
Energy: 0.9329239625142588
Energy: 0.8983919914402528
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Energy: 0.9199993553837135
Energy: 0.909232418941612
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Energy: 0.9092324189429534
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Energy: 0.9199993553830429
Energy: 0.8793811080601002
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Energy: 0.8985856462447835
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Energy: 0.909098887021331
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Energy: 0.8961435695830482
Energy: 0.9090988870193193
Energy: 0.8772883696706811
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Energy: 0.909098887021331
Energy: 0.8772883696713517
Energy: 0.8961435695756717
Energy: 0.9093394715678621
Energy: 0.8976131932765409
Energy: 0.8941509978902965
Energy: 0.9093394715685328
Energy: 0.8976131932765409
Energy: 0.8941509978909671
Energy: 0.9093394715685328
Energy: 0.8976131932758703
Energy: 0.8941509978902965
Energy: 0.9093394715678621
Energy: 0.8946409149410001
Energy: 0.929551339979976
Energy: 0.9093864546200309
Energy: 0.8946409149403295
Energy: 0.9295513392902457
Energy: 0.909386454621372
Energy: 0.8946409149403295
Energy: 0.9295513393673022
Energy: 0.9093864546220427
Energy: 0.8946409149396588
Energy: 0.9329239625142588
Energy: 0.8983927427124707
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Energy: 0.8983925389716524
Energy: 0.8948562574632833
Energy: 0.9329239625149295
Energy: 0.8983921731218317
Energy: 0.8948562574626127
Energy: 0.9329239625155998

minimum gb energy = 0.8540024988845736 eV
minimum distance =  2.3645614065058 Angstroms
sigma value = 41


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

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Energy: 0.7434922269268227
Energy: 0.7745251751283768
Energy: 0.7433593186059447
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Energy: 0.7265467422139784
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Energy: 0.7542198054158497
Energy: 0.8951975272360018
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Energy: 0.7542198054184043
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Energy: 0.6886783390322828
Energy: 0.7923071202009976
Energy: 0.6617900707622012
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Energy: 0.7923071202062013
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Energy: 0.7923071202009976
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Energy: 0.7601296995027836
Energy: 0.6653723016646891
Energy: 0.7214864049252029
Energy: 0.7601296995027836
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Energy: 0.7214864049278047
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Energy: 0.6653723016620873
Energy: 0.7214864049252029
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Energy: 0.7737372253840025
Energy: 0.7236275212289593
Energy: 0.735208817868322
Energy: 0.7737372253866043
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Energy: 0.7737372253840025
Energy: 0.6631435081008885
Energy: 0.7620031253286038
Energy: 0.761711719019501
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Energy: 0.7988079265083855
Energy: 0.7360834397660919
Energy: 0.6631435080956849
Energy: 0.7620031253806404
Energy: 0.761711719019501
Energy: 0.6631435080982867
Energy: 0.6671908121788558
Energy: 0.734669576595938
Energy: 0.7247866655799671
Energy: 0.6671908121814576
Energy: 0.734867935637928
Energy: 0.7000698513199896
Energy: 0.6671908121788558
Energy: 0.7346695765985397
Energy: 0.7247866655799671
Energy: 0.6671908121788558
Energy: 0.6887032482653442
Energy: 0.7119657648855988
Energy: 0.7394767118873526
Energy: 0.6887032482653442
Energy: 0.7115686589737896
Energy: 0.7394767118873526
Energy: 0.6887032482653442
Energy: 0.7119657648855988
Energy: 0.7394767118873526
Energy: 0.6887032482653442
Energy: 0.7959036928062596
Energy: 0.6975988497982096
Energy: 0.7886826898174308
Energy: 0.7959036928036579
Energy: 0.69726492071293
Energy: 0.7886826898174308
Energy: 0.7959036928062596
Energy: 0.6975988497982096
Energy: 0.7886826898122271
Energy: 0.7959036928062596
Energy: 0.703086496323721
Energy: 0.7577138052695829
Energy: 0.6965016638101422
Energy: 0.7030864963471374
Energy: 0.7577138052695829
Energy: 0.6965016638127441
Energy: 0.7030864962561209
Energy: 0.757713805266981
Energy: 0.6965016638101422
Energy: 0.703086496107864

minimum gb energy = 0.6617399666824811 eV
minimum distance =  2.37123702965596 Angstroms
sigma value = 185


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

Energy: 0.7711284378685173
Energy: 0.3356968265818777
Energy: 0.3341897279387536
Energy: 0.5153833568104336
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Energy: 0.5287806888641566
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Energy: 0.3508963931965529
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Energy: 0.3318118486543303
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Energy: 0.49886947349887467
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Energy: 0.7711284378654288
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Energy: 0.3400108040944062
Energy: 0.33181184865371266
Energy: 0.45584527653199614
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Energy: 0.3318118486543303
Energy: 0.45584527653109763
Energy: 0.34001080409597856
Energy: 0.33181184865528496
Energy: 0.45584527653137835
Energy: 0.49886947349887467
Energy: 0.3948085672389902
Energy: 0.33197377923381016
Energy: 0.49886947349797617
Energy: 0.3948085672389902
Energy: 0.3319737792328554
Energy: 0.49886947349887467
Energy: 0.3948085672405064
Energy: 0.3319737792316201
Energy: 0.4988694734967408
Energy: 0.3333873877418199
Energy: 0.29174334242292826
Energy: 0.33322774127866134
Energy: 0.3333873877412022
Energy: 0.29174334242326516
Energy: 0.33322774127652743
Energy: 0.3333873877427745
Energy: 0.29174334242663447
Energy: 0.33322774127680815
Energy: 0.3333873877433922
Energy: 0.4398782339712451
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Energy: 0.3331950611022096
Energy: 0.43987823397281745
Energy: 0.5095176506955486
Energy: 0.3331950611025465
Energy: 0.43987823397186276
Energy: 0.509517650698974
Energy: 0.3331950611019288
Energy: 0.4398782339706274

minimum gb energy = 0.29148417260763454 eV
minimum distance =  2.38584653209203 Angstroms
sigma value = 33


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

Energy: 0.5223775463267237
Energy: 0.6413202350438345
Energy: 0.6411600739487592
Energy: 0.5223775504704026
Energy: 0.6413202350438345
Energy: 0.6411600739487592
Energy: 0.5223775482316335
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Energy: 0.6411600739487592
Energy: 0.5223775411865534
Energy: 0.6258422349896419
Energy: 0.6404278963311532
Energy: 0.6312306301576189
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Energy: 0.6258422349913374
Energy: 0.43806153718846186
Energy: 0.6288564353887619
Energy: 0.5979202137916764
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Energy: 0.5979202137933719
Energy: 0.43806153718167984
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Energy: 0.5979202137916764
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Energy: 0.7264625732901631
Energy: 0.638770970102427
Energy: 0.6526130907113725
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Energy: 0.7264625732867721
Energy: 0.6260965619016289
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Energy: 0.588580381953086
Energy: 0.6260965619033244
Energy: 0.6269695227890315
Energy: 0.5885803819513906
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Energy: 0.6260965619050198
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Energy: 0.6152357409090541
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Energy: 0.6454066702760729
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Energy: 0.2881513821117573
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Energy: 0.638913937520837
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Energy: 0.659299103586606
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Energy: 0.6283666853696926
Energy: 0.6376846445229453
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Energy: 0.6376846445229453
Energy: 0.614410446793604
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Energy: 0.6502155747133325
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Energy: 0.5344421402545451

minimum gb energy = 0.07828506498289776 eV
minimum distance =  2.27629517830293 Angstroms
sigma value = 219


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

Energy: 1.0298580750075272
Energy: 0.942385487213692
Energy: 0.942123497610479
Energy: 1.0298580750086495
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Energy: 1.0358189984413515
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Energy: 0.8918016870626603
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Energy: 1.0358189984413515
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Energy: 1.0358189984413515
Energy: 1.0146782666398266
Energy: 1.0428683198873694
Energy: 0.9216408432734772
Energy: 1.0146782666398266
Energy: 1.0428683198862474
Energy: 0.9216408432734772
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Energy: 1.0428683198873694
Energy: 0.9216408432745993
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Energy: 0.931269596744128
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Energy: 0.9406577762897574
Energy: 0.931269596744128
Energy: 0.9304474682979117
Energy: 0.9406577762897574
Energy: 0.931269596744128

minimum gb energy = 0.8918016870626603 eV
minimum distance =  2.29738363187489 Angstroms
sigma value = 15


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

Energy: 1.2030632577642113
Energy: 1.094286461951605
Energy: 1.107577650176717
Energy: 1.1143120418557908
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Energy: 1.1075776501746095
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Energy: 1.148198749249119
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Energy: 1.092370299021953
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Energy: 1.1570937094385403
Energy: 1.0923702990178141
Energy: 1.0884257035438711
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Energy: 1.0923702990178141
Energy: 1.0882968218367397
Energy: 1.1570937094302627
Energy: 1.092370299019921
Energy: 1.14366001880816
Energy: 1.0258178734824437
Energy: 1.0823544442288775
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Energy: 1.0258178734803365
Energy: 1.0823544442288775
Energy: 1.14366001880816
Energy: 1.0258178734783048
Energy: 1.0823544442309094
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minimum gb energy = 1.0077546478105588 eV
minimum distance =  2.32334821215137 Angstroms
sigma value = 293


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

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Energy: 1.0978502980126745
Energy: 1.0834959216134301
Energy: 1.1151753426616575
Energy: 1.162220542279254
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Energy: 1.1622205422784704
Energy: 1.0834959216116788
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Energy: 0.9728615984435643
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Energy: 1.1323925443552076
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Energy: 1.1110220356675662
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Energy: 1.0837543394364404
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Energy: 1.0933650494044536
Energy: 1.1149755584712293
Energy: 1.208028964256764
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Energy: 1.2080289642559807
Energy: 1.0933650494041771
Energy: 1.1149755584729806
Energy: 1.208028964257271
Energy: 1.097850298013458
Energy: 1.1570021857213264
Energy: 0.9192027007973764
Energy: 1.0978502980149787
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Energy: 0.9194410327135583
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Energy: 1.1570021857200359
Energy: 0.9192027007956253
Energy: 1.0978502980121676
Energy: 1.0834959216134301
Energy: 1.115175342662395
Energy: 1.162220542279761
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Energy: 1.115175342659123
Energy: 1.1622205422769496
Energy: 1.0834959216126925
Energy: 1.1151753426606437
Energy: 1.1622205422782401
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Energy: 1.1866380450936465
Energy: 0.9542838482229483
Energy: 1.0458565633114163
Energy: 1.1866380450941534
Energy: 0.9542838482242386
Energy: 1.0458565633104022
Energy: 1.1866380450946603
Energy: 0.9542838482254827
Energy: 1.0458565633119232
Energy: 1.1866380450936465
Energy: 1.0917559026320487
Energy: 1.1399803837370828
Energy: 1.1074982732688123
Energy: 1.0917559026305277
Energy: 1.1399803837386036
Energy: 1.1074982732672916
Energy: 1.0917559026315418
Energy: 1.1399803837363456
Energy: 1.1074982732695957
Energy: 1.0917559026328318
Energy: 1.0969013148592193
Energy: 0.8957077230871675
Energy: 1.1026683596907025
Energy: 1.096901314858482
Energy: 0.8957077230879048
Energy: 1.102668359691947
Energy: 1.0969013148592193
Energy: 0.8957077230886882
Energy: 1.102668359690426
Energy: 1.09690131486074
Energy: 1.2478784054968306
Energy: 1.153030513705435
Energy: 1.095089989416469
Energy: 1.2478784054973375
Energy: 1.1530305137044214
Energy: 1.0993384999101046
Energy: 1.247878405498075
Energy: 1.153030513703638
Energy: 1.0950899894159618
Energy: 1.2478784054975678
Energy: 0.9728615984440713
Energy: 1.1652981390805774
Energy: 1.090226915419836
Energy: 0.9728615984448086
Energy: 1.1652981390820982
Energy: 1.0902269154193294
Energy: 0.9728615984450851
Energy: 1.1652981390823747
Energy: 1.0902269154193294
Energy: 0.9728615984430574

minimum gb energy = 0.8957077230871675 eV
minimum distance =  2.21277796602832 Angstroms
sigma value = 293


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

Energy: 1.1933265593784188
Energy: 1.215862150098101
Energy: 1.2160282603591999
Energy: 1.1933265593784188
Energy: 1.2158621500999336
Energy: 1.2160282603587418
Energy: 1.1933265593784188
Energy: 1.2158621500990172
Energy: 1.2160282603596582
Energy: 1.193326559379335
Energy: 1.2133744074677033
Energy: 1.1911184079776895
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Energy: 1.2133744074681614
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Energy: 1.213374407467245
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Energy: 1.215043697732021
Energy: 1.2133744074663289
Energy: 1.2139898884372975
Energy: 1.2137226903094505
Energy: 1.0865708391886393
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Energy: 1.2137226903099085
Energy: 1.1288284193769842
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Energy: 1.2137226903108247
Energy: 1.0866910062272515
Energy: 1.2139898884359233
Energy: 1.0870233582670557
Energy: 1.213612256657854
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Energy: 1.0864353385563925
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Energy: 1.2158621500990172
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Energy: 1.1933265593788769
Energy: 1.2158621500990172
Energy: 1.1911184081164101
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Energy: 1.2133744074686192
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Energy: 1.1911184081370245
Energy: 1.2150436977324788
Energy: 1.2133744074686192
Energy: 1.19111840816222
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Energy: 1.1292697210341605
Energy: 1.2139898884377553
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Energy: 1.2137226903103666
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Energy: 1.213905501819221
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Energy: 1.2145062839331568
Energy: 1.2149737906852907
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Energy: 1.213374407467245
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Energy: 1.1292909178060333
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Energy: 1.2149737906857487
Energy: 1.19110066692248
Energy: 1.214506283933615
Energy: 1.2149737906843745
Energy: 1.191100666758564
Energy: 1.214506283933615
Energy: 1.2149737906848326
Energy: 1.1911006670964743
Energy: 1.214506283933615
Energy: 1.1933265593779605
Energy: 1.2158621501003914
Energy: 1.2160282603596582
Energy: 1.1933265593788769
Energy: 1.2158621500999336
Energy: 1.2160282603596582
Energy: 1.1933265593784188
Energy: 1.2158621500994755
Energy: 1.2160282603601162
Energy: 1.1933265593784188
Energy: 1.2133744074677033
Energy: 1.191118408398016
Energy: 1.2150436977324788
Energy: 1.213374407467245
Energy: 1.1911184084287085
Energy: 1.215043697732021
Energy: 1.2133744074663289
Energy: 1.1911184083961837
Energy: 1.2150436977333952
Energy: 1.2133744074677033
Energy: 1.2139898884368394
Energy: 1.2137226903094505
Energy: 1.1297224822669762
Energy: 1.2139898884363813
Energy: 1.2137226903094505
Energy: 1.1297243170152895
Energy: 1.2139898884372975
Energy: 1.2137226903103666
Energy: 1.1297164865760156
Energy: 1.2139898884363813
Energy: 1.1297389603369536
Energy: 1.213612256657854
Energy: 1.2139055018210536
Energy: 1.1297538860390546
Energy: 1.2136122566583123
Energy: 1.2139055018205955
Energy: 1.1297341322314256
Energy: 1.213612256657854
Energy: 1.2139055018215115
Energy: 1.1297506265498372
Energy: 1.2149737906857487
Energy: 1.191100664387111
Energy: 1.214506283934073
Energy: 1.2149737906843745
Energy: 1.1911006641348234
Energy: 1.214506283934073
Energy: 1.2149737906857487
Energy: 1.1911006643985633
Energy: 1.214506283933615
Energy: 1.2149737906848326
Energy: 1.2158621501008497
Energy: 1.2160282603596582
Energy: 1.1933265593784188
Energy: 1.2158621500999336
Energy: 1.2160282603605743
Energy: 1.1933265593797928
Energy: 1.2158621500994755
Energy: 1.2160282603596582
Energy: 1.193326559379335
Energy: 1.2158621500999336
Energy: 1.1911184085271582
Energy: 1.2150436977311045
Energy: 1.2133744074681614
Energy: 1.1911184085202866
Energy: 1.2150436977324788
Energy: 1.213374407467245
Energy: 1.1911184085344877
Energy: 1.215043697732021
Energy: 1.2133744074686192
Energy: 1.1911184085500217

minimum gb energy = 1.0840839659144732 eV
minimum distance =  2.36497529735153 Angstroms
sigma value = 15


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

Energy: 1.173144370290225
Energy: 1.0771426920972647
Energy: 1.1302503519782794
Energy: 1.1177108027753493
Energy: 1.0771426974793934
Energy: 1.130250351980356
Energy: 1.173144370288148
Energy: 1.0771427007464185
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Energy: 1.1177108027753493
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Energy: 1.171535118053137
Energy: 1.1249851095274235
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Energy: 1.0699637347017246
Energy: 1.159903615639466
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Energy: 1.0699637347038011
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Energy: 1.0699637347017246
Energy: 1.1599036156436193
Energy: 1.11652013622694
Energy: 1.068726697385454
Energy: 1.1956544178567616
Energy: 1.0656817178954943
Energy: 1.0687266973813385
Energy: 1.1956544178567616
Energy: 1.0656817178996474
Energy: 1.068726697385454
Energy: 1.195654417860915
Energy: 1.0656817178996474
Energy: 1.0687266973875302
Energy: 1.1108531610021086
Energy: 1.0963115055947792
Energy: 1.0652748684482032
Energy: 1.1117579689934007
Energy: 1.0958273403779064
Energy: 1.065274868315379
Energy: 1.1108531610062617
Energy: 1.0963115055947792
Energy: 1.0652748682198954
Energy: 1.1117579689892476
Energy: 1.0658011858901397
Energy: 1.0744443275691893
Energy: 1.0594904854944662
Energy: 1.0658011858880634
Energy: 1.0744443275712658
Energy: 1.0594904854944662
Energy: 1.0658011858942928
Energy: 1.0744443275712658
Energy: 1.059490485496543
Energy: 1.0658011858880634
Energy: 1.122959159198266
Energy: 1.1118104451835762
Energy: 1.077951190055971
Energy: 1.1229591592003425
Energy: 1.1118104451835762
Energy: 1.0779511900538947
Energy: 1.1229591592003425
Energy: 1.1118104451814996
Energy: 1.0779511900538947
Energy: 1.1229591592003425
Energy: 1.0217652835245783
Energy: 1.0805695738899408
Energy: 1.090353761806721
Energy: 1.0219330621718759
Energy: 1.0805695738878642
Energy: 1.1048273395024644
Energy: 1.0217652835245783
Energy: 1.0805695738878642
Energy: 1.0903537618087975
Energy: 1.0219330621739524
Energy: 1.2140275437836738
Energy: 1.0604513450836104
Energy: 1.1178081847135206
Energy: 1.2140275437857506
Energy: 1.0604513450815338
Energy: 1.117808184717674
Energy: 1.2140275437857506
Energy: 1.0604513450815338
Energy: 1.1178081847197505
Energy: 1.2140275437857506
Energy: 1.1674052928481944
Energy: 1.155468819098388
Energy: 1.1308831196937321
Energy: 1.1674052928481944
Energy: 1.1554688191004645
Energy: 1.1308831196978477
Energy: 1.1674052928461176
Energy: 1.1554688191004645
Energy: 1.1308831196978477
Energy: 1.1674052928481944
Energy: 1.1042091447797284
Energy: 1.0646213073436284
Energy: 1.1019623470992523
Energy: 1.1232952678490475
Energy: 1.0644932143782446
Energy: 1.1019623471034055
Energy: 1.104209144781805
Energy: 1.0646213073394752
Energy: 1.101962347105482
Energy: 1.1232952678469712
Energy: 1.084143656146075
Energy: 1.0536661624726786
Energy: 1.0982621080167223
Energy: 1.0841436561481517
Energy: 1.0536661624726786
Energy: 1.0982621080146455
Energy: 1.0841436561502282
Energy: 1.053666162474755
Energy: 1.0982621080167223
Energy: 1.0841436561439988
Energy: 1.1441876584165198
Energy: 1.0779321434284803
Energy: 1.085517367862285
Energy: 1.144187658420673
Energy: 1.077932143426404
Energy: 1.0855692160583326
Energy: 1.1441876584185964
Energy: 1.0779321434222506
Energy: 1.085517367862285
Energy: 1.1441876584227497
Energy: 1.067184739148404
Energy: 1.1344865576661047
Energy: 1.0782192574876752
Energy: 1.0671847391504803
Energy: 1.1344865576681813
Energy: 1.0782192574855987
Energy: 1.0671847391463274
Energy: 1.1344865576661047
Energy: 1.078219257483522
Energy: 1.0671847391504803
Energy: 1.1132912031411004
Energy: 1.1023721074399844
Energy: 1.0718207656815064
Energy: 1.0820397019786625
Energy: 1.1023721074399844
Energy: 1.0718207656794299
Energy: 1.1132912031390239
Energy: 1.1023721074441373
Energy: 1.0718207656815064
Energy: 1.0820397019765862
Energy: 1.0892630991633154
Energy: 1.0601068560054325
Energy: 1.094701671696979
Energy: 1.0822774489674727
Energy: 1.0601068560095857
Energy: 1.1035070462309862
Energy: 1.0892630991653918
Energy: 1.060106856007509
Energy: 1.094701671696979
Energy: 1.0822774489695495
Energy: 1.0648576831045198
Energy: 1.254877110873168
Energy: 1.110663812098957
Energy: 1.0648576831045198
Energy: 1.254877110873168
Energy: 1.110663812098957
Energy: 1.0648576831065966
Energy: 1.254877110873168
Energy: 1.110663812098957
Energy: 1.064857683102443
Energy: 1.1114155189082053
Energy: 1.0867915676870226
Energy: 1.0602937699461348
Energy: 1.1114155189082053
Energy: 1.086791567684946
Energy: 1.0602937699648236
Energy: 1.1114155189061286
Energy: 1.0867915676870226
Energy: 1.060293769981436
Energy: 1.1114155189082053
Energy: 1.0950447095763884
Energy: 1.067698856562826
Energy: 1.066756794372141
Energy: 1.0950447095763884
Energy: 1.0676988565649026
Energy: 1.0691918037757548
Energy: 1.095044709578465
Energy: 1.0676988565649026
Energy: 1.0667567943742176
Energy: 1.0950447095763884
Energy: 1.1445619608360755
Energy: 1.128011644489644
Energy: 1.0646304601712
Energy: 1.144561960838152
Energy: 1.1280116444875676
Energy: 1.0646304601753533
Energy: 1.1445619608360755
Energy: 1.128011644489644
Energy: 1.0646304601732768
Energy: 1.1445619608360755
Energy: 1.0929382601728197
Energy: 1.1498779884787163
Energy: 1.1296024236493827
Energy: 1.0929382601728197
Energy: 1.14987798847664
Energy: 1.129602423653536
Energy: 1.0929382601728197
Energy: 1.1498779884787163
Energy: 1.129602423653536
Energy: 1.0929382601707431
Energy: 1.1377261651698727
Energy: 1.0848138425476328
Energy: 1.0659503506249597
Energy: 1.1377261651677961
Energy: 1.0848138425476328
Energy: 1.0659503506228831
Energy: 1.1377261651698727
Energy: 1.0848138425497094
Energy: 1.0659503506228831
Energy: 1.1377261651698727
Energy: 1.0248217783329043
Energy: 1.121575825579787
Energy: 1.0825172116984574
Energy: 1.024821778330828
Energy: 1.1215758255818635
Energy: 1.0825172116860355
Energy: 1.0248217783266749
Energy: 1.121575825579787
Energy: 1.0825172116860355
Energy: 1.0248217783287514
Energy: 1.1029665752560158
Energy: 1.0990606252344577
Energy: 1.1138684811510635
Energy: 1.1029665752580926
Energy: 1.1044758055080643
Energy: 1.098294303041964
Energy: 1.1029665752560158
Energy: 1.0990606252344577
Energy: 1.1138684811489872
Energy: 1.1029665752560158
Energy: 1.1541676759775363
Energy: 1.0557001544109368
Energy: 1.0459039027693684
Energy: 1.1541676759754596
Energy: 1.0557001544109368
Energy: 1.0459039030662025
Energy: 1.1541676759754596
Energy: 1.0557001544088602
Energy: 1.0459039034419082
Energy: 1.1541676759775363
Energy: 1.0977477295797953
Energy: 1.269865581153181
Energy: 1.1028988674733695
Energy: 1.0977477295797953
Energy: 1.2698655811552573
Energy: 1.1028988674712927
Energy: 1.0977477295818718
Energy: 1.269865581153181
Energy: 1.1028988674733695
Energy: 1.0977477295797953
Energy: 1.1001416479985175
Energy: 1.0711444354561679
Energy: 1.1452624169737358
Energy: 1.100141647996441
Energy: 1.070854609585423
Energy: 1.1452624169094003
Energy: 1.100141647996441
Energy: 1.0711444354623978
Energy: 1.1452624168491803
Energy: 1.1001416479985175
Energy: 1.065853502961385
Energy: 1.0740198734102577
Energy: 1.1036713474072817
Energy: 1.065853502961385
Energy: 1.0740198734081812
Energy: 1.1036713474072817
Energy: 1.0658535029593084
Energy: 1.0740198734102577
Energy: 1.1036713474052051
Energy: 1.065853502961385
Energy: 1.1165587234696905
Energy: 1.0418809974384613
Energy: 1.0835287972043512
Energy: 1.116558723471767
Energy: 1.0418809974467673
Energy: 1.0835373060314835
Energy: 1.116558723471767
Energy: 1.0418809974405379
Energy: 1.0835287972022747
Energy: 1.116558723471767
Energy: 1.0639077659641445
Energy: 1.0569550037172408
Energy: 1.0866679666401773
Energy: 1.0639077659641445
Energy: 1.0569550037172408
Energy: 1.0866679666443304
Energy: 1.0639077659682974
Energy: 1.0569550037193174
Energy: 1.0866679666422538
Energy: 1.0639077659641445
Energy: 1.0823851494819068
Energy: 1.1542129947027018
Energy: 1.1450954938997002
Energy: 1.0823851494819068
Energy: 1.1542129947006252
Energy: 1.1450954938976237
Energy: 1.0823851494819068
Energy: 1.1542129946985484
Energy: 1.145095493895547
Energy: 1.0823851494819068

minimum gb energy = 1.0210177438246923 eV
minimum distance =  2.29465370883514 Angstroms
sigma value = 437


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

Energy: 0.9903668107298395
Energy: 1.0469384871916174
Energy: 1.0466544705224048
Energy: 0.990366810729083
Energy: 1.0469384871832956
Energy: 1.0466544705231613
Energy: 0.9903668107283263
Energy: 1.0469384871878349
Energy: 1.0466544705224048
Energy: 0.990366810729083
Energy: 1.1002532845833815
Energy: 0.9727111768371869
Energy: 0.9718793191329915
Energy: 1.1002532845833815
Energy: 0.9727111768379435
Energy: 0.9718793191337481
Energy: 1.1002532845833815
Energy: 0.9727111768371869
Energy: 0.9718793191337481
Energy: 1.1002532845841377
Energy: 1.029951545067896
Energy: 0.9654054353790352
Energy: 1.0467832197610354
Energy: 1.029951545067896
Energy: 0.9654054353797917
Energy: 1.0467832197617917
Energy: 1.029951545067896
Energy: 0.9654054353797917
Energy: 1.0467832197610354
Energy: 1.029951545067896
Energy: 1.0912341261404361
Energy: 1.0038704327460317
Energy: 0.9849323666443675
Energy: 1.0912341261411926
Energy: 1.0038704327445187
Energy: 0.9849323666443675
Energy: 1.0912341261404361
Energy: 1.0038704327467884
Energy: 0.984932366643611
Energy: 1.0912341261404361
Energy: 1.0210166990001908
Energy: 0.9898433777235068
Energy: 1.1266741915468532
Energy: 1.021016698999434
Energy: 0.9898433777227503
Energy: 1.1266741915476097
Energy: 1.021016698999434
Energy: 0.9898433777242633
Energy: 1.1266741915468532
Energy: 1.021016698999434
Energy: 0.9763639614118433
Energy: 1.0005411082141935
Energy: 0.9726007799454301
Energy: 0.9763639614110868
Energy: 1.00054110821495
Energy: 0.9726007799454301
Energy: 0.9763639614118433
Energy: 1.00054110821495
Energy: 0.9726007799446736
Energy: 0.9763639614110868
Energy: 1.0141879999381898
Energy: 0.973249779394843
Energy: 0.9681743872002359
Energy: 1.014187999899607
Energy: 0.973249779394843
Energy: 0.968174387201749
Energy: 1.0141879998905288
Energy: 0.9732497793955995
Energy: 0.9681743872009924
Energy: 1.014187999909442
Energy: 0.9868725225889925
Energy: 1.1618008554757562
Energy: 0.9871408387801751
Energy: 0.986872522589749
Energy: 1.1618008554765125
Energy: 0.9871408388262545
Energy: 0.9868725225889925
Energy: 1.1618008554757562
Energy: 0.9871408387499143
Energy: 0.9868725225889925
Energy: 1.1533707942085825
Energy: 0.9895911262811171
Energy: 0.9901512110315716
Energy: 1.153370794207826
Energy: 0.9895911262818736
Energy: 0.9901512110315716
Energy: 1.153370794207826
Energy: 0.9895911262811171
Energy: 0.9901512110315716
Energy: 1.153370794207826
Energy: 1.0898902587977768
Energy: 1.0007276065456858
Energy: 1.0988165052540486
Energy: 1.08989025879702
Energy: 1.000727606541903
Energy: 1.0988165052548051
Energy: 1.08989025879702
Energy: 1.0007276064867454
Energy: 1.098816505253292
Energy: 1.08989025879702
Energy: 1.0134963138723474
Energy: 1.024252050496886
Energy: 0.9725673719407566
Energy: 1.0134963138723474
Energy: 1.024252050496886
Energy: 0.9725673719415131
Energy: 1.0134963138723474
Energy: 0.9557415564666937
Energy: 0.9725673719415131
Energy: 1.0134963138723474
Energy: 1.0003337980505682
Energy: 0.9607640334414057
Energy: 1.0229811133980782
Energy: 1.000333798049055
Energy: 0.9607640334406491
Energy: 1.0229811133980782
Energy: 1.0003337980505682
Energy: 0.9607640334406491
Energy: 1.0229811133973217
Energy: 1.0003337980498115
Energy: 0.9901454392018388
Energy: 1.2043208465923048
Energy: 0.9900670526322214
Energy: 0.9901454392010823
Energy: 1.2043208465915483
Energy: 0.9900670526329779
Energy: 0.9901454392010823
Energy: 1.2043208465907917
Energy: 0.9900670526329779
Energy: 0.9901454392010823
Energy: 0.9648887332970029
Energy: 0.9646911903169396
Energy: 0.9886583447111565
Energy: 0.9648887332962464
Energy: 0.964691190316183
Energy: 0.9886583447618437
Energy: 0.9648887332970029
Energy: 0.9646911903169396
Energy: 0.9886583447406609
Energy: 0.9648887332962464

minimum gb energy = 0.9557415564666937 eV
minimum distance =  2.20515694971267 Angstroms
sigma value = 33