Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_001
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=3.604343503713608
cohesive_energy=4.246784762095345
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: 0.01868271691750034
Energy: 0.3383093331055188
Energy: 0.3383093331055188
Energy: 0.01868271691750034
Energy: 0.3383093331055188
Energy: 0.3383093331055188
Energy: 0.01868271691604627
Energy: 0.3383093331055188
Energy: 0.3383093331055188
Energy: 0.01868271691604627
Energy: 0.33459592546577477
Energy: 0.02220346463525595
Energy: 0.33446645852313717
Energy: 0.33459592546577477
Energy: 0.02220346463525595
Energy: 0.3344664458187549
Energy: 0.33459592546577477
Energy: 0.02220346463525595
Energy: 0.33446588480094275
Energy: 0.33459592546577477
Energy: 0.7663068072340377
Energy: 1.054132464080929
Energy: 1.0541324640838372
Energy: 0.7663068071322858
Energy: 1.0541324640867453
Energy: 1.054132464080929
Energy: 0.7663068086176853
Energy: 0.5370625542372857
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Energy: 0.766306807260211
Energy: 0.33459592546577477
Energy: 0.3344654965896034
Energy: 0.02220346463525595
Energy: 0.33459592546577477
Energy: 0.33446609043299896
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Energy: 0.33459592546577477
Energy: 0.3344659787983285
Energy: 0.02220346463525595
Energy: 0.33459592546577477
Energy: 0.01868271691750034
Energy: 0.3383093331055188
Energy: 0.3383093331055188
Energy: 0.01868271691750034
Energy: 0.3383093331055188
Energy: 0.3383093331055188
Energy: 0.01868271691750034
Energy: 0.3383093331055188
Energy: 0.3383093331055188
Energy: 0.01868271691750034
Energy: 0.33459592546577477
Energy: 0.02220346463525595
Energy: 0.3344663702159272
Energy: 0.3345959254672288
Energy: 0.02220346463525595
Energy: 0.3344671485077148
Energy: 0.33459592546577477
Energy: 0.02220346463525595
Energy: 0.33446601834456136
Energy: 0.33459592546577477
Energy: 0.7663068080189054
Energy: 1.054132464080929
Energy: 0.6392557620873766
Energy: 0.7663068074287841
Energy: 1.0541324640765668
Energy: 1.0541324640838372
Energy: 0.7663068072456704
Energy: 1.0541324640751126
Energy: 1.054132464080929
Energy: 0.766306807283443

minimum gb energy = 0.01868271691604627 eV
minimum distance =  2.27879623336402 Angstroms
sigma value = 3


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

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Energy: -0.4494902340423984
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Energy: 0.6620670704363604

minimum gb energy = -0.749454094084682 eV
minimum distance =  2.40597420313529 Angstroms
sigma value = 75


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

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minimum gb energy = 0.50864518447417 eV
minimum distance =  2.26678256496799 Angstroms
sigma value = 105


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

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Energy: 0.8416863684467201
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Energy: 0.9312235645812741
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Energy: 0.7987588899891441
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Energy: 0.7986184166695429
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Energy: 0.7987588899891441
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Energy: 0.6848513066568789
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Energy: 0.9443056960438027
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Energy: 0.9694357883029804
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Energy: 0.6831013575409788
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Energy: 0.750299417381401
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Energy: 0.9295699969146793
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Energy: 0.8151298165226488
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Energy: 0.887559365997679
Energy: 0.8401902225984899
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Energy: 0.887559365997679
Energy: 0.8401902225965292
Energy: 0.7759812630025829
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Energy: 0.8401902225965292
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Energy: 0.887559365997679
Energy: 0.8928741337943473
Energy: 0.7769798831271586
Energy: 0.6962559017749971
Energy: 0.8928741337943473
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Energy: 0.7645908696745143
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Energy: 0.8637509488097498
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Energy: 0.9092506627499771
Energy: 0.6843761682987987
Energy: 0.9100622543540327
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Energy: 0.9092506627480166
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Energy: 0.9100622543540327
Energy: 0.6901907666955911
Energy: 0.7034000068255258
Energy: 0.7509149805786961
Energy: 0.6901907666975516
Energy: 0.7034000068235652
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Energy: 0.6901907666995124
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Energy: 0.7509149805767354
Energy: 0.6901907666975516
Energy: 0.8067966221153337
Energy: 0.7642690085947572
Energy: 0.8142863675927414
Energy: 0.8067966221172943
Energy: 0.7334866545643371
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Energy: 0.7642690085947572
Energy: 0.8030554044431178
Energy: 0.806796622113373
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Energy: 0.7612607941224925
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Energy: 0.7612607941205676
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Energy: 0.8344374442143891
Energy: 0.7504591359615622
Energy: 0.9813925783720101
Energy: 0.6846896969332927
Energy: 0.7504591359596016
Energy: 0.9813925783720101
Energy: 0.6846896969313321
Energy: 0.7504591359615622
Energy: 0.9813925783720101
Energy: 0.6846896969803489
Energy: 0.7504591359596016
Energy: 0.6958928864022641
Energy: 0.7663206552042007
Energy: 0.7623871624667214
Energy: 0.6958928864022641
Energy: 0.7663206552022399
Energy: 0.7623871624667214
Energy: 0.6958928864022641
Energy: 0.7663206552022399
Energy: 0.7623871624686821
Energy: 0.6958928864042248
Energy: 0.6846391383200916
Energy: 0.7896601254600647
Energy: 0.8484695304384378
Energy: 0.6846391383200916
Energy: 0.7875734151819728
Energy: 0.8484695304423592
Energy: 0.6846391383200916
Energy: 0.7896601254600647
Energy: 0.8484695304384378
Energy: 0.684639138318131
Energy: 0.9291207036584217
Energy: 0.790278449719951
Energy: 0.8683492997041565
Energy: 0.9291207036584217
Energy: 0.7899255479493412
Energy: 0.8683492997061172
Energy: 0.9291207036584217
Energy: 0.790278449719951
Energy: 0.8683492997061172
Energy: 0.9291207036564612
Energy: 0.7509544381630603
Energy: 0.7409845797891996
Energy: 0.8333292342688695
Energy: 0.7509544381630603
Energy: 0.7409845797891996
Energy: 0.8333292342669089
Energy: 0.7509544381591389
Energy: 0.7409845797891996
Energy: 0.8333292342688695
Energy: 0.7509544381630603
Energy: 0.7936616855027613
Energy: 0.9246721581803626
Energy: 0.838909275123587
Energy: 0.7936616855027613
Energy: 0.9211790659222377
Energy: 0.838909275123587
Energy: 0.7936616855027613
Energy: 0.9246721581803626
Energy: 0.8389092751216264
Energy: 0.7936616855027613
Energy: 0.9022976030840067
Energy: 0.7957678624726028
Energy: 0.8723400110325191
Energy: 0.9022976030820461
Energy: 0.7953941499923922
Energy: 0.8723400110325191
Energy: 0.9022976030820461
Energy: 0.7957678624726028
Energy: 0.8723400110325191
Energy: 0.9022976030840067
Energy: 0.7485063572764938
Energy: 0.8115521490613088
Energy: 0.754682977910943
Energy: 0.7485063572784545
Energy: 0.8117723723394318
Energy: 0.754682977910943
Energy: 0.7485063572764938
Energy: 0.8115521490573875
Energy: 0.7546829779129036
Energy: 0.7485063572764938

minimum gb energy = 0.6424639510683148 eV
minimum distance =  2.34546214496368 Angstroms
sigma value = 165


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

Energy: 1.003119620135732
Energy: 0.9144214086200636
Energy: 0.9146494593690853
Energy: 0.9498386593223779
Energy: 0.914421408722987
Energy: 0.9146494593711048
Energy: 1.0031196201370784
Energy: 0.914421408910049
Energy: 0.9146494593690853
Energy: 0.9498386593230509
Energy: 0.9446873009723018
Energy: 0.9273600475665164
Energy: 0.938582413043073
Energy: 0.9446873009716288
Energy: 0.9273600475651701
Energy: 0.9385824130417268
Energy: 0.9446873009723018
Energy: 0.9273600475658432
Energy: 0.9385824130410536
Energy: 0.9446873009723018
Energy: 0.9008981260668035
Energy: 0.91509113696729
Energy: 0.8981086113542105
Energy: 0.9008981260681497
Energy: 0.9150911369679632
Energy: 0.8985356980721765
Energy: 0.9008981260681497
Energy: 0.9150911369679632
Energy: 0.8981086113535374
Energy: 0.9008981260681497
Energy: 0.9178904274881211
Energy: 0.90983425349109
Energy: 0.9284873571747204
Energy: 0.9178904274867749
Energy: 0.90983425349109
Energy: 0.9284873571727011
Energy: 0.917890427487448
Energy: 0.9098342534924361
Energy: 0.9284873571727011
Energy: 0.9178904274881211
Energy: 0.929137960375361
Energy: 0.9048492497637496
Energy: 0.9030094807373767
Energy: 0.9291379600665286
Energy: 0.9048492497637496
Energy: 0.9030094807373767
Energy: 0.9291379604291483
Energy: 0.9048492497624033
Energy: 0.903009480738723
Energy: 0.9291379601015302
Energy: 0.9334711335302457
Energy: 0.9557276585342392
Energy: 0.9102487271432537
Energy: 0.9334711335309189
Energy: 0.9557276580027317
Energy: 0.9102487271459462
Energy: 0.9334711335309189
Energy: 0.9557276586177043
Energy: 0.9102487271445999
Energy: 0.933471133531592
Energy: 0.9130738259571677
Energy: 0.9219466811179973
Energy: 0.9039955705767727
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Energy: 0.9039955705767727
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Energy: 0.9219466811186705
Energy: 0.903995570578119
Energy: 0.9130738259564947
Energy: 0.9880168662575982
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Energy: 0.9244402968823426
Energy: 0.9880168662596177
Energy: 0.9202948432420546
Energy: 0.9244402968803233
Energy: 0.9880168662589446
Energy: 0.9202948432413813
Energy: 0.9244402968823426
Energy: 0.9880168662589446
Energy: 0.9174953678450686
Energy: 0.9106436131137838
Energy: 0.9213748683886773
Energy: 0.9174953678443954
Energy: 0.9106436131137838
Energy: 0.9214220136191223
Energy: 0.9174953678457416
Energy: 0.9106436131151301
Energy: 0.9213748683954085
Energy: 0.9174953678457416
Energy: 0.9486368463332301
Energy: 0.9180237064427565
Energy: 0.97319615154839
Energy: 0.9334256141570841
Energy: 0.9180237064427565
Energy: 0.97319615154839
Energy: 0.9486368463345762
Energy: 0.9180237064427565
Energy: 0.97319615154839
Energy: 0.9334256141584303
Energy: 0.965577042331489
Energy: 0.9029765297267321
Energy: 0.9598487142591643
Energy: 0.9023335306492934
Energy: 0.9029765298000393
Energy: 0.928200978307199
Energy: 0.9655770423308772
Energy: 0.9029765300005631
Energy: 0.9598487142605105
Energy: 0.9023335306459279
Energy: 0.9133276150947287
Energy: 0.9281415024595304
Energy: 0.908028828183612
Energy: 0.913327615096075
Energy: 0.9281415024602033
Energy: 0.9080288281849583
Energy: 0.9133276150933826
Energy: 0.9281415024608766
Energy: 0.9080288281849583
Energy: 0.9133276150940555
Energy: 0.9237773676771988
Energy: 0.9140866130946456
Energy: 0.9169982914979483
Energy: 0.92377736664582
Energy: 0.9140866130939724
Energy: 0.9169982915107373
Energy: 0.9237773669714187
Energy: 0.9140866130953186
Energy: 0.9169982915033331
Energy: 0.923777366881957
Energy: 0.9236527617062976
Energy: 0.9498491122392899
Energy: 0.9282341927629826
Energy: 0.9236527617049515
Energy: 0.9498491122911189
Energy: 0.9282341927616363
Energy: 0.9236527617042782
Energy: 0.9498491121794447
Energy: 0.9282341927609633
Energy: 0.9236527617042782
Energy: 0.9498386593237239
Energy: 0.9144214087303912
Energy: 0.9146494593684122
Energy: 0.9498386593230509
Energy: 0.9144214084922349
Energy: 0.9146494593690853
Energy: 0.9498386593237239
Energy: 0.9144214084821384
Energy: 0.9146494593704315
Energy: 0.9498386593230509

minimum gb energy = 0.8981086113535374 eV
minimum distance =  2.32494329470828 Angstroms
sigma value = 41


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

Energy: 0.7836871230158363
Energy: 0.7528932015958083
Energy: 0.7928438696892954
Energy: 0.7666202105521916
Energy: 0.7528932015984199
Energy: 0.7928438696919069
Energy: 0.7836871234935195
Energy: 0.7528932015958083
Energy: 0.7928438696919069
Energy: 0.7666202105521916
Energy: 0.7766345671963054
Energy: 0.6829419074194717
Energy: 0.8090048878530148
Energy: 0.7766345671936937
Energy: 0.6829419074142961
Energy: 0.8090048878504033
Energy: 0.7766345672015286
Energy: 0.6829419074142961
Energy: 0.8090048878504033
Energy: 0.7766345672015286
Energy: 0.7356305644331661
Energy: 0.6794822017931224
Energy: 0.7269105178321879
Energy: 0.7356305644331661
Energy: 0.6794822017931224
Energy: 0.727199879293535
Energy: 0.7503213248933162
Energy: 0.6794822017957339
Energy: 0.7269105178321879
Energy: 0.7621201853036806
Energy: 0.7363825017885187
Energy: 0.7303894707327484
Energy: 0.6992766100001849
Energy: 0.7363825017885187
Energy: 0.7303894707327484
Energy: 0.6993695123704533
Energy: 0.7363825017885187
Energy: 0.7303894707301368
Energy: 0.6992766099975734
Energy: 0.7363825017859071
Energy: 0.7425744086292339
Energy: 0.8754794870279239
Energy: 0.7009782856758052
Energy: 0.7425744086292339
Energy: 0.8754794870305356
Energy: 0.7008039999277265
Energy: 0.7425744086266223
Energy: 0.8754794870279239
Energy: 0.7009782856731938
Energy: 0.7425744086292339
Energy: 0.7022749838989154
Energy: 0.7787581020807067
Energy: 0.7828580955454071
Energy: 0.7022749838989154
Energy: 0.7787581020807067
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Energy: 0.7022749838963038
Energy: 0.7787581020807067
Energy: 0.7828580955427955
Energy: 0.7022749838963038
Energy: 0.7015453382976878
Energy: 0.6795607733944146
Energy: 0.7989331439586259
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Energy: 0.6795607733918031
Energy: 0.798933143963849
Energy: 0.7015453382950761
Energy: 0.800044661254641
Energy: 0.7473079555320731
Energy: 0.773461684488227
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Energy: 0.7474859488409225
Energy: 0.7734616844908387
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Energy: 0.8000446612572526
Energy: 0.7835924780674216
Energy: 0.7847788564660164
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Energy: 0.7847788564634047
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Energy: 0.78359247806481
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Energy: 0.7050756821305668
Energy: 0.78359247806481
Energy: 0.6951841667335982
Energy: 0.7671952487797584
Energy: 0.7412265521008948
Energy: 0.6951841667309866
Energy: 0.7671952487771468
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Energy: 0.7235777625127942
Energy: 0.7220444702906965
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Energy: 0.7235777625127942
Energy: 0.7220444702880849
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Energy: 0.6951773802345727
Energy: 0.8259804383303815
Energy: 0.7772514353207095
Energy: 0.6951773802371842
Energy: 0.8263413521481972
Energy: 0.777251435323321
Energy: 0.6951773802397958
Energy: 0.8259804383303815
Energy: 0.7772514353207095
Energy: 0.6951773802371842
Energy: 0.7962853325952065
Energy: 0.7012913485886806
Energy: 0.8073230104694914
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Energy: 0.7962853325952065
Energy: 0.7012913485886806
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Energy: 0.7978765279715202
Energy: 0.7742404479973176
Energy: 0.6961158618317121
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Energy: 0.6961158618317121
Energy: 0.7978765279741319
Energy: 0.774240447994706
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Energy: 0.6823131131558913
Energy: 0.8063160096222824
Energy: 0.7270246616007717
Energy: 0.6823131131558913
Energy: 0.8063160096196709
Energy: 0.7270246616007717
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Energy: 0.8063160096170593
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Energy: 0.6823131131506682
Energy: 0.6829245805360583
Energy: 0.7516739472910917
Energy: 0.7596083213081052
Energy: 0.6829245805386699
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Energy: 0.7596083213081052
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Energy: 0.7596083213133282
Energy: 0.6829245805386699
Energy: 0.740683007570866
Energy: 0.7432477609845165
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Energy: 0.740683007570866
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Energy: 0.740683007570866
Energy: 0.7432477609871281
Energy: 0.7597971321634681
Energy: 0.7406830075682544
Energy: 0.7679416708086224
Energy: 0.7432482166113838
Energy: 0.7089315533275783
Energy: 0.7679416708060107
Energy: 0.7432482166087723
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Energy: 0.7679416708086224
Energy: 0.7432482166087723
Energy: 0.7089315533275783
Energy: 0.7679416708086224
Energy: 0.7472409155977993
Energy: 0.7832565695973004
Energy: 0.6792827229266162
Energy: 0.7472409155977993
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Energy: 0.7832565695973004
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Energy: 0.7472409155977993
Energy: 0.7011598686166844
Energy: 0.8181504233953628
Energy: 0.6828112380509277
Energy: 0.7011618514122882
Energy: 0.8181504233927512
Energy: 0.6828112380483162
Energy: 0.7011598686140728
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Energy: 0.6828112380483162
Energy: 0.7011618514148996
Energy: 0.7418833239582561
Energy: 0.7752701618565889
Energy: 0.7913460288480535
Energy: 0.7418410579170953
Energy: 0.7752701618565889
Energy: 0.7913460288506652
Energy: 0.7418833239608676
Energy: 0.7752701618539773
Energy: 0.7913460288506652
Energy: 0.7418410579170953
Energy: 0.8040410913747833
Energy: 0.6999064168778497
Energy: 0.782545676860285
Energy: 0.8040410913747833
Energy: 0.6999064168778497
Energy: 0.7825456768550618
Energy: 0.8040410913747833
Energy: 0.6999064168752381
Energy: 0.7825456768576734
Energy: 0.8040410913721716
Energy: 0.7378879046393285
Energy: 0.8616485658120365
Energy: 0.6959731509253103
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Energy: 0.8616485658120365
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Energy: 0.7207652505673785
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Energy: 0.7592104283154358
Energy: 0.890470103283624
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Energy: 0.7408817543009912
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Energy: 0.6994282422272343
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Energy: 0.7621611493727984
Energy: 0.7202928195453138
Energy: 0.8007171428760267
Energy: 0.6847952032384647
Energy: 0.7481757704416975
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Energy: 0.7481757704390858
Energy: 0.800717142873415
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Energy: 0.7481757704416975
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Energy: 0.7974311910124141
Energy: 0.7918709229210393
Energy: 0.7414450190938431
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Energy: 0.7974311910124141
Energy: 0.7918709229210393
Energy: 0.7414450190938431
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Energy: 0.6823170847563634
Energy: 0.7569346851734456
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Energy: 0.6823170847537519
Energy: 0.7665495164204917
Energy: 0.7634618946892803
Energy: 0.6823170847537519
Energy: 0.7569346851708341
Energy: 0.7634618946866688
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Energy: 0.6826164818757081
Energy: 0.7229740231872671
Energy: 0.7215178409795047
Energy: 0.6826164818757081
Energy: 0.7231121539081166
Energy: 0.7214919751717596
Energy: 0.6826164818757081
Energy: 0.7229740231898788
Energy: 0.7215178409795047
Energy: 0.6826164818757081
Energy: 0.7038826732589207
Energy: 0.6992697675022473
Energy: 0.7605516600575286
Energy: 0.7038826732589207
Energy: 0.699261381332472
Energy: 0.760551660054917
Energy: 0.7038826732589207
Energy: 0.6992697675022473
Energy: 0.7605516600575286
Energy: 0.7038826732589207
Energy: 0.7818222909469621
Energy: 0.6997351950893794
Energy: 0.7880401925384659
Energy: 0.7818222909443504
Energy: 0.6995178566422463
Energy: 0.7880401925384659
Energy: 0.7818222909495737
Energy: 0.6997351950893794
Energy: 0.7880401925358542
Energy: 0.7818222909495737
Energy: 0.7723063264933349
Energy: 0.7833542012815585
Energy: 0.6961411691955912
Energy: 0.7723063264933349
Energy: 0.7833542012841701
Energy: 0.6961411691955912
Energy: 0.7723063264933349
Energy: 0.7833542012841701
Energy: 0.6961411691982029
Energy: 0.7723063264907233

minimum gb energy = 0.6792827229266162 eV
minimum distance =  2.33883085618944 Angstroms
sigma value = 185


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

Energy: 0.8991134820984643
Energy: 0.35525557618841275
Energy: 0.3538786463434043
Energy: 0.5293983904200447
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Energy: 0.3538786463437425
Energy: 0.6602378358096762
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Energy: 0.6602378358099582
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Energy: 0.353193696152359
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Energy: 0.3513317617556813
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Energy: 0.5876771137391676
Energy: 0.3670749368260532
Energy: 0.6013731851028636
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Energy: 0.5880484374226841
Energy: 0.4153333445045331
Energy: 0.3513317617565832
Energy: 0.5880484473286536
Energy: 0.47073516787407105
Energy: 0.3513317617563014
Energy: 0.5880484328759238
Energy: 0.4324095503019668
Energy: 0.6518080145161974
Energy: 0.36000299529123336
Energy: 0.45328224284628316
Energy: 0.6154447903359365
Energy: 0.36000299528937335
Energy: 0.4324095503013468
Energy: 0.6518080145168174
Energy: 0.3600029952890351
Energy: 0.45328224284442314
Energy: 0.5121339500378187
Energy: 0.47256381843730366
Energy: 0.3514102578793848
Energy: 0.4152558840400645
Energy: 0.37220302992651816
Energy: 0.3514102578796666
Energy: 0.5121339500381569
Energy: 0.47256381843668366
Energy: 0.3514102578802866
Energy: 0.4152558840384863
Energy: 0.6704430044385735
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Energy: 0.3547217102377023
Energy: 0.6704430044367133
Energy: 0.5855006184470255
Energy: 0.35472171023584226
Energy: 0.6704430044369953
Energy: 0.5855006184510837
Energy: 0.3547217102370823
Energy: 0.6704430044394754

minimum gb energy = 0.3513317617550613 eV
minimum distance =  2.33015686207159 Angstroms
sigma value = 33


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

Energy: 0.6628365202447246
Energy: 0.6476462354055669
Energy: 0.646737563557792
Energy: 0.6452435888966682
Energy: 0.6476462354072688
Energy: 0.646737563559494
Energy: 0.6628365202447246
Energy: 0.6476462354055669
Energy: 0.6467375635560901
Energy: 0.6452435888966682
Energy: 0.6662267744723043
Energy: 0.668071212826047
Energy: 0.6407137198491436
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Energy: 0.6662267744723043
Energy: 0.5408983345303524
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Energy: 0.6521077382341784
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Energy: 0.6661273332136366
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Energy: 0.68252020082853
Energy: 0.7400738251025827
Energy: 0.666127333210233
Energy: 0.6854966109000289
Energy: 0.7542101840092253
Energy: 0.666127333210233
Energy: 0.6676831198374893
Energy: 0.6950390752534035
Energy: 0.6641064528270884
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Energy: 0.6952609445401223
Energy: 0.6547611378415876
Energy: 0.6676831198340855
Energy: 0.6950390752534035
Energy: 0.6641064528270884
Energy: 0.6676831198340855
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Energy: 0.6902985008575591
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minimum gb energy = 0.5408983345286505 eV
minimum distance =  2.33457859929018 Angstroms
sigma value = 219


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

Energy: 1.0398640000189654
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Energy: 1.0335636832306319
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Energy: 0.9913532117189116
Energy: 0.9333090156905898
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Energy: 0.9913532117177851
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Energy: 0.9913532117189116
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Energy: 0.9389340056049585
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Energy: 0.9450941845615023
Energy: 0.9389340056049585
Energy: 0.9377867626214916
Energy: 0.945094184560376
Energy: 0.938934005603832

minimum gb energy = 0.931639004224735 eV
minimum distance =  2.2838349836213 Angstroms
sigma value = 15


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

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Energy: 1.136049202137069
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Energy: 1.1332756433716704
Energy: 1.1032699481528279
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Energy: 1.1032699481507127
Energy: 1.1277771126926581
Energy: 1.1586547170672967
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minimum gb energy = 1.0394389486524105 eV
minimum distance =  2.29013343201479 Angstroms
sigma value = 293


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

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Energy: 0.912337353458613
Energy: 0.9621875850227123
Energy: 1.10420929881274
Energy: 1.1899661223403533
Energy: 1.1348920213569955
Energy: 1.1042092988124625
Energy: 1.1899661223400755
Energy: 1.1348920213567641
Energy: 1.1042092988124625
Energy: 1.1899661223403533
Energy: 1.1348920213575044
Energy: 1.1042092988124625
Energy: 1.1244995690323831
Energy: 0.9129294729918598
Energy: 1.2021139087185926
Energy: 1.1244995690321058
Energy: 0.9129294729923688
Energy: 1.2021139087183148
Energy: 1.1244995690323831
Energy: 0.9129294729921376
Energy: 1.2021139087188237
Energy: 1.1244995690321058
Energy: 1.291873737850338
Energy: 1.1661114866049782
Energy: 1.10379708906492
Energy: 1.2918737378498293
Energy: 1.166111486605256
Energy: 1.1037970890646887
Energy: 1.2918737378498293
Energy: 1.166111486605256
Energy: 1.1037970890646887
Energy: 1.2918737378495981
Energy: 1.005427458538729
Energy: 1.185841979785089
Energy: 1.094263320131884
Energy: 1.0054274585384975
Energy: 1.185841979785089
Energy: 1.0942633201313752
Energy: 1.0054274585390062
Energy: 1.1858419797848114
Energy: 1.094263320131884
Energy: 1.005427458538729
Energy: 1.1474160144688645
Energy: 1.0083981159870983
Energy: 1.0948065807012222
Energy: 1.1474160144693732
Energy: 1.0083981159876072
Energy: 1.0948065807012222
Energy: 1.1474160144688645
Energy: 1.0083981159868207
Energy: 1.0948065807007135
Energy: 1.1474160144693732
Energy: 1.0482821832513065
Energy: 1.1903811645016953
Energy: 1.1047644708486373
Energy: 1.0482821832507976
Energy: 1.1903811645019726
Energy: 1.1047644708491462
Energy: 1.0482821832523241
Energy: 1.1903811645016953
Energy: 1.1047644708491462
Energy: 1.0482821832523241
Energy: 1.1271843863160198
Energy: 1.1144821720503117
Energy: 1.1145547519769046
Energy: 1.1271843863168063
Energy: 1.1144821720503117
Energy: 1.1145547519766732
Energy: 1.1271843863162974
Energy: 1.1144821720500804
Energy: 1.1145547519769046
Energy: 1.127184386317315
Energy: 1.047982983358224
Energy: 1.1052085972148449
Energy: 1.190165817267502
Energy: 1.047982983358224
Energy: 1.1052085972151227
Energy: 1.1901658172677796
Energy: 1.047982983358224
Energy: 1.1052085972151227
Energy: 1.1901658172672709
Energy: 1.0479829833584553
Energy: 1.1473509932237633
Energy: 1.0946976060188045
Energy: 1.008177135208689
Energy: 1.147350993224041
Energy: 1.0946976060190823
Energy: 1.008177135208689
Energy: 1.1473509932237633
Energy: 1.0946976060188045
Energy: 1.008177135208689
Energy: 1.1473509932237633
Energy: 1.0051128488986327
Energy: 1.094221236929739
Energy: 1.1859780302506167
Energy: 1.0051128488983552
Energy: 1.0942212369299704
Energy: 1.1859780302514031
Energy: 1.0051128488986327
Energy: 1.0942212369289528
Energy: 1.1859780302514031
Energy: 1.0051128488986327
Energy: 1.291959821019475
Energy: 1.1037565432084235
Energy: 1.1655785447831881
Energy: 1.2919598210199836
Energy: 1.1037565432079148
Energy: 1.1655785447831881
Energy: 1.291959821019475
Energy: 1.103756543207406
Energy: 1.1655785447831881
Energy: 1.2919598210199836
Energy: 1.1242907445288488
Energy: 1.2024572550966501
Energy: 0.9133355367926774
Energy: 1.1242907445291264
Energy: 1.2024572550968813
Energy: 0.9133355367944352
Energy: 1.1242907445291264
Energy: 1.2024572550968813
Energy: 0.9133355367944352
Energy: 1.1242907445291264
Energy: 1.1041709142164366
Energy: 1.135547114408076
Energy: 1.1896820207424077
Energy: 1.1041709142169456
Energy: 1.1355471144078444
Energy: 1.1896820207421304
Energy: 1.1041709142166678
Energy: 1.135547114408076
Energy: 1.189682020742639
Energy: 1.1041709142166678
Energy: 0.9621875850227123
Energy: 0.9121078479765594
Energy: 0.912337353462915
Energy: 0.9621875850186417
Energy: 0.9121078479823878
Energy: 0.912337353462915
Energy: 0.9621875850234523
Energy: 0.91210784798137
Energy: 0.9123373534611571
Energy: 0.9621875850224346
Energy: 1.10420929881274
Energy: 1.189966122340862
Energy: 1.134892021357273
Energy: 1.1042092988124625
Energy: 1.1899661223400755
Energy: 1.1348920213580131
Energy: 1.1042092988122314
Energy: 1.1899661223398443
Energy: 1.1348920213575044
Energy: 1.1042092988124625
Energy: 1.1244995690321058
Energy: 0.9129294729923688
Energy: 1.202113908717575
Energy: 1.1244995690323831
Energy: 0.9129294729921376
Energy: 1.2021139087185926
Energy: 1.1244995690321058
Energy: 0.9129294729923688
Energy: 1.2021139087180837
Energy: 1.1244995690321058
Energy: 1.2918737378493206
Energy: 1.1661114866054874
Energy: 1.1037970890646887
Energy: 1.2918737378495981
Energy: 1.166111486605256
Energy: 1.10379708906492
Energy: 1.2918737378493206
Energy: 1.166111486605256
Energy: 1.1037970890644575
Energy: 1.2918737378498293
Energy: 1.0054274585379888
Energy: 1.1858419797848114
Energy: 1.0942633201313752
Energy: 1.0054274585390062
Energy: 1.185841979785089
Energy: 1.0942633201313752
Energy: 1.005427458538729
Energy: 1.1858419797848114
Energy: 1.0942633201310976
Energy: 1.005427458538729

minimum gb energy = 0.9121078479650879 eV
minimum distance =  2.20815364802321 Angstroms
sigma value = 293


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

Energy: 1.1740153302243381
Energy: 1.1887395529473532
Energy: 1.1891104509327886
Energy: 1.1740153302247978
Energy: 1.1887395529473532
Energy: 1.1891104509323287
Energy: 1.1740153302243381
Energy: 1.1887395529464337
Energy: 1.1891104509327886
Energy: 1.1740153302261773
Energy: 1.1875278663014242
Energy: 1.183487319283888
Energy: 1.1887196333067884
Energy: 1.1875278663005044
Energy: 1.1834873193693722
Energy: 1.1887196333067884
Energy: 1.1875278663014242
Energy: 1.1834873193661533
Energy: 1.1887196333072483
Energy: 1.1875278663009645
Energy: 1.1869474906715505
Energy: 1.1867929255310656
Energy: 1.1175576120843453
Energy: 1.18694749067247
Energy: 1.1867929255310656
Energy: 1.1175565714358635
Energy: 1.1869474906715505
Energy: 1.1867929255315255
Energy: 1.117553726782655
Energy: 1.1869474906720103
Energy: 1.1142803711530096
Energy: 1.187151862588054
Energy: 1.1871050065091675
Energy: 1.1142689789015272
Energy: 1.1871518625889736
Energy: 1.1871050065100872
Energy: 1.1142711243462202
Energy: 1.1871518625885136
Energy: 1.1871050065091675
Energy: 1.1142761590712567
Energy: 1.1887469291297499
Energy: 1.1835439363869467
Energy: 1.18716615517356
Energy: 1.1887469291288304
Energy: 1.1835439363869467
Energy: 1.1871661551744797
Energy: 1.18874692913021
Energy: 1.1835439363878661
Energy: 1.18716615517356
Energy: 1.18874692913021
Energy: 1.1887395529468934
Energy: 1.189110450931869
Energy: 1.1740153302243381
Energy: 1.1887395529464337
Energy: 1.1891104509327886
Energy: 1.1740153302252576
Energy: 1.1887395529468934
Energy: 1.1891104509323287
Energy: 1.1740153302247978
Energy: 1.1887395529473532
Energy: 1.183487319346883
Energy: 1.1887196333072483
Energy: 1.1875278663009645
Energy: 1.1834873193349278
Energy: 1.1887196333072483
Energy: 1.1875278663009645
Energy: 1.1834873193587963
Energy: 1.1887196333063286
Energy: 1.1875278663014242
Energy: 1.183487319357877
Energy: 1.1867929255310656
Energy: 1.1175482384357067
Energy: 1.1869474906710904
Energy: 1.1867929255306058
Energy: 1.117575376587848
Energy: 1.1869474906720103
Energy: 1.1867929255306058
Energy: 1.1175483471204883
Energy: 1.1869474906710904
Energy: 1.1867929255306058
Energy: 1.1871518625885136
Energy: 1.1871050065091675
Energy: 1.114274584203996
Energy: 1.187151862588054
Energy: 1.1871050065087079
Energy: 1.1142866336089108
Energy: 1.1871518625889736
Energy: 1.1871050065091675
Energy: 1.1142784018381793
Energy: 1.1871518625885136
Energy: 1.183543936386027
Energy: 1.1871661551740198
Energy: 1.1887469291297499
Energy: 1.1835439363869467
Energy: 1.1871661551740198
Energy: 1.1887469291297499
Energy: 1.1835439363869467
Energy: 1.1871661551744797
Energy: 1.18874692912929
Energy: 1.1835439363874063
Energy: 1.1891104509332484
Energy: 1.1740153302252576
Energy: 1.1887395529468934
Energy: 1.1891104509327886
Energy: 1.1740153302234182
Energy: 1.1887395529473532
Energy: 1.1891104509327886
Energy: 1.174015330223878
Energy: 1.1887395529464337
Energy: 1.1891104509327886
Energy: 1.1887196333063286
Energy: 1.1875278663000446
Energy: 1.1834873193409052
Energy: 1.188719633307708
Energy: 1.1875278663018838
Energy: 1.183487319372591
Energy: 1.1887196333072483
Energy: 1.1875278663014242
Energy: 1.183487319362015
Energy: 1.1887196333063286
Energy: 1.117572512392309
Energy: 1.1869474906715505
Energy: 1.1867929255315255
Energy: 1.117551815806511
Energy: 1.1869474906710904
Energy: 1.1867929255315255
Energy: 1.1175593723219623
Energy: 1.1869474906720103
Energy: 1.1867929255315255
Energy: 1.1175656246190304
Energy: 1.1871050065096274
Energy: 1.114280205790528
Energy: 1.1871518625885136
Energy: 1.1871050065091675
Energy: 1.1142868512569983
Energy: 1.1871518625885136
Energy: 1.1871050065091675
Energy: 1.114271573679497
Energy: 1.1871518625885136
Energy: 1.1871050065096274
Energy: 1.18716615517356
Energy: 1.18874692912929
Energy: 1.1835439363874063
Energy: 1.18716615517356
Energy: 1.1887469291297499
Energy: 1.1835439363864868
Energy: 1.18716615517356
Energy: 1.1887469291297499
Energy: 1.1835439363878661
Energy: 1.1871661551744797
Energy: 1.1740153302220389
Energy: 1.1887395529478133
Energy: 1.1891104509332484
Energy: 1.1740153302261773
Energy: 1.1887395529468934
Energy: 1.1891104509327886
Energy: 1.1740153302243381
Energy: 1.1887395529478133
Energy: 1.1891104509332484
Energy: 1.1740153302247978
Energy: 1.1875278663018838
Energy: 1.1834873192930844
Energy: 1.1887196333067884
Energy: 1.1875278663009645
Energy: 1.1834873193505615
Energy: 1.1887196333067884
Energy: 1.1875278663014242
Energy: 1.1834873193716713
Energy: 1.1887196333067884
Energy: 1.1875278663009645
Energy: 1.1869474906710904
Energy: 1.1867929255310656
Energy: 1.1175628503229276
Energy: 1.1869474906715505
Energy: 1.1867929255310656
Energy: 1.1175619032830213
Energy: 1.1869474906710904
Energy: 1.1867929255310656
Energy: 1.1175647649148683
Energy: 1.1869474906710904
Energy: 1.1142745516367054
Energy: 1.1871518625885136
Energy: 1.1871050065091675
Energy: 1.1142695011630424
Energy: 1.1871518625889736
Energy: 1.1871050065096274
Energy: 1.1142703761681778
Energy: 1.187151862588054
Energy: 1.1871050065091675
Energy: 1.1142667723962787
Energy: 1.1887469291297499
Energy: 1.1835439363869467
Energy: 1.1871661551731
Energy: 1.1887469291288304
Energy: 1.183543936386027
Energy: 1.1871661551744797
Energy: 1.18874692913021
Energy: 1.183543936383728
Energy: 1.18716615517356
Energy: 1.1887469291297499
Energy: 1.1887395529473532
Energy: 1.1891104509327886
Energy: 1.174015330223878
Energy: 1.1887395529478133
Energy: 1.1891104509327886
Energy: 1.1740153302247978
Energy: 1.1887395529464337
Energy: 1.1891104509323287
Energy: 1.1740153302243381
Energy: 1.1887395529468934
Energy: 1.1834873193909836
Energy: 1.1887196333072483
Energy: 1.1875278663014242
Energy: 1.1834873193197537
Energy: 1.188719633307708
Energy: 1.1875278663014242
Energy: 1.183487319397421
Energy: 1.1887196333072483
Energy: 1.1875278663009645
Energy: 1.1834873193248117

minimum gb energy = 1.1142667723962787 eV
minimum distance =  2.26992473650569 Angstroms
sigma value = 15


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

Energy: 1.1121385450603858
Energy: 1.1230259568203393
Energy: 1.122283112236912
Energy: 1.1121385450603858
Energy: 1.1230259568203393
Energy: 1.1222831122389962
Energy: 1.1121385450603858
Energy: 1.123025956818255
Energy: 1.122283112236912
Energy: 1.1121385450603858
Energy: 1.12124655996066
Energy: 1.0715265957015159
Energy: 1.066188187993032
Energy: 1.12124655996066
Energy: 1.0715265957015159
Energy: 1.066188187995116
Energy: 1.12124655996066
Energy: 1.0715265957015159
Energy: 1.066188187993032
Energy: 1.1212465599627444
Energy: 1.1628384585399887
Energy: 1.0973266507538657
Energy: 1.0461007810909644
Energy: 1.1628384585420728
Energy: 1.0973266507517812
Energy: 1.0461007810909644
Energy: 1.1628384585399887
Energy: 1.0973266507538657
Energy: 1.0461007810909644
Energy: 1.1628384585420728
Energy: 1.071000578868568
Energy: 1.0970672060359075
Energy: 1.0728356629661222
Energy: 1.0710005788706525
Energy: 1.0970672060359075
Energy: 1.0728356629661222
Energy: 1.071000578868568
Energy: 1.0970672060359075
Energy: 1.0728356629661222
Energy: 1.071000578868568
Energy: 1.1417733980081695
Energy: 1.073189022097055
Energy: 1.158146072606692
Energy: 1.1417733980081695
Energy: 1.073189022097055
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Energy: 1.1417733980081695
Energy: 1.073189022097055
Energy: 1.158146072606692
Energy: 1.1417733980081695
Energy: 1.1128638933794013
Energy: 1.0993475416355978
Energy: 1.061614198911086
Energy: 1.1128638933794013
Energy: 1.0993475416335132
Energy: 1.061614198911086
Energy: 1.1128638933794013
Energy: 1.0993475416335132
Energy: 1.0616141989131707
Energy: 1.1128638933794013
Energy: 1.073255360360692
Energy: 1.178418775508881
Energy: 1.121342029304004
Energy: 1.073255360360692
Energy: 1.178418775508881
Energy: 1.121342029304004
Energy: 1.073255360360692
Energy: 1.178418775508881
Energy: 1.121342029304004
Energy: 1.073255360360692
Energy: 1.0834425389057647
Energy: 1.1548705183156325
Energy: 1.1548652051785355
Energy: 1.0834425389057647
Energy: 1.1548705183156325
Energy: 1.154865205176451
Energy: 1.0834425389057647
Energy: 1.1548705183156325
Energy: 1.1548652051806196
Energy: 1.0834425389057647
Energy: 1.290155486777763
Energy: 1.0862866061463297
Energy: 1.0862193572842795
Energy: 1.290155486777763
Energy: 1.0862866061463297
Energy: 1.0862193572842795
Energy: 1.290155486777763
Energy: 1.0862866061463297
Energy: 1.0862193572842795
Energy: 1.290155486777763
Energy: 1.072065460974191
Energy: 1.12248681705418
Energy: 1.097875945811049
Energy: 1.072065460974191
Energy: 1.1224868170562643
Energy: 1.097875945811049
Energy: 1.072065460974191
Energy: 1.1224868170520956
Energy: 1.097875945811049
Energy: 1.072065460974191
Energy: 1.096023095424777
Energy: 1.0630973127682575
Energy: 1.1347574080189764
Energy: 1.096023095424777
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Energy: 1.1347574080189764
Energy: 1.096023095424777
Energy: 1.0630973127682575
Energy: 1.1347574080168918
Energy: 1.096023095424777
Energy: 1.0669157831275466
Energy: 1.0598426616480374
Energy: 1.0819709146232261
Energy: 1.0669157831275466
Energy: 1.0598426616480374
Energy: 1.0819709146232261
Energy: 1.0669157831275466
Energy: 1.0598426616480374
Energy: 1.0819709146232261
Energy: 1.066915783125462
Energy: 1.1840950773471832
Energy: 1.0842062236941055
Energy: 1.1709465079852026
Energy: 1.1840950773471832
Energy: 1.0842062236941055
Energy: 1.1709465079852026
Energy: 1.1840950773471832
Energy: 1.0842062236941055
Energy: 1.1709465079852026
Energy: 1.1840950773471832
Energy: 1.065266374156393
Energy: 1.0674029084645622
Energy: 1.183884686710482
Energy: 1.065266374156393
Energy: 1.0674029084645622
Energy: 1.183884686710482
Energy: 1.065266374156393
Energy: 1.0674029084645622
Energy: 1.183884686710482
Energy: 1.065266374156393
Energy: 1.1489167100033837
Energy: 1.154236780969883
Energy: 1.078987568144392
Energy: 1.1489167100054678
Energy: 1.154236780967799
Energy: 1.078987568144392
Energy: 1.1489167100033837
Energy: 1.154236780967799
Energy: 1.078987568144392
Energy: 1.1489167100054678
Energy: 1.0719755965970834
Energy: 1.1654858898105136
Energy: 1.1006995439350975
Energy: 1.0719755965970834
Energy: 1.1654858898105136
Energy: 1.1006995439350975
Energy: 1.0719755965970834
Energy: 1.1654858898105136
Energy: 1.1006995439350975
Energy: 1.0719755965970834
Energy: 1.1096454207854565
Energy: 1.0780399716999525
Energy: 1.2205584280359796
Energy: 1.1096454207854565
Energy: 1.0780399716999525
Energy: 1.2205584280338952
Energy: 1.1096454207854565
Energy: 1.0780399716999525
Energy: 1.2205584280338952
Energy: 1.1096454207854565
Energy: 1.2251027202861358
Energy: 1.07241498881877
Energy: 1.0672865605050712
Energy: 1.2251027202861358
Energy: 1.07241498881877
Energy: 1.0672865605050712
Energy: 1.2251027202861358
Energy: 1.07241498881877
Energy: 1.0672865605050712
Energy: 1.2251027202861358
Energy: 1.0728611345512933
Energy: 1.1813061873577564
Energy: 1.090574814909132
Energy: 1.0728611345512933
Energy: 1.1813061873577564
Energy: 1.090574814909132
Energy: 1.0728611345512933
Energy: 1.1813061873577564
Energy: 1.090574814909132
Energy: 1.0728611345512933
Energy: 1.1167057066653772
Energy: 1.0783385107631704
Energy: 1.1247248196159743
Energy: 1.1167057066653772
Energy: 1.0783385107631704
Energy: 1.1247248196159743
Energy: 1.1167057066653772
Energy: 1.0783385107610863
Energy: 1.1247248196159743
Energy: 1.116705706669546
Energy: 1.12025476163017
Energy: 1.0715017919297067
Energy: 1.2091625348119774
Energy: 1.1202547616281233
Energy: 1.0715017919297067
Energy: 1.2091625348119774
Energy: 1.12025476163017
Energy: 1.0715017919297067
Energy: 1.2091625348119774
Energy: 1.12025476163017
Energy: 1.0912248351688205
Energy: 1.216398961393552
Energy: 1.0616563557371765
Energy: 1.0912248351688205
Energy: 1.216398961393552
Energy: 1.0616563557371765
Energy: 1.0912248351688205
Energy: 1.216398961393552
Energy: 1.0616563557371765
Energy: 1.0912248351688205
Energy: 1.0726406273532898
Energy: 1.0656759648148497
Energy: 1.0933088084432472
Energy: 1.0726406273532898
Energy: 1.0656759648148497
Energy: 1.0933088084453315
Energy: 1.0726406273532898
Energy: 1.065675964816934
Energy: 1.0933088084411628
Energy: 1.0726406273532898
Energy: 1.0759061778094319
Energy: 1.1117092965065771
Energy: 1.063206789113522
Energy: 1.0759061778115162
Energy: 1.111709296504493
Energy: 1.063206789113522
Energy: 1.0759061778115162
Energy: 1.1117092965065771
Energy: 1.063206789113522
Energy: 1.0759061778115162
Energy: 1.1491983528027634
Energy: 1.0722109746185327
Energy: 1.0835374673926428
Energy: 1.1491983528027634
Energy: 1.0722109746185327
Energy: 1.0835374673947271
Energy: 1.1491983528027634
Energy: 1.0722109746185327
Energy: 1.0835374673947271
Energy: 1.1491983528027634
Energy: 1.0720516454823406
Energy: 1.1047405720202719
Energy: 1.1194151851694136
Energy: 1.0720516454823406
Energy: 1.1047405720202719
Energy: 1.1194151851694136
Energy: 1.0720516454823406
Energy: 1.1047405720202719
Energy: 1.1194151851694136
Energy: 1.0720516454823406
Energy: 1.1479072251687636
Energy: 1.0597921775614865
Energy: 1.137878433397328
Energy: 1.1479072251687636
Energy: 1.0597921775614865
Energy: 1.1378784333994123
Energy: 1.1479072251687636
Energy: 1.0597921775614865
Energy: 1.1378784333994123
Energy: 1.1479072251687636
Energy: 1.1780117332944449
Energy: 1.1708033826471715
Energy: 1.0905045043295392
Energy: 1.1780117332965292
Energy: 1.1708033826471715
Energy: 1.0905045043295392
Energy: 1.1780117332944449
Energy: 1.1708033826471715
Energy: 1.0905045043295392
Energy: 1.1780117332965292
Energy: 1.1713221069473065
Energy: 1.0596700866807556
Energy: 1.1209440747835688
Energy: 1.1713221069473065
Energy: 1.0596700866807556
Energy: 1.1209440747835688
Energy: 1.1713221069473065
Energy: 1.0596700866807556
Energy: 1.1209440747835688
Energy: 1.1713221069473065
Energy: 1.0855980715093456
Energy: 1.0661688082123928
Energy: 1.1928935005231973
Energy: 1.0855980715093456
Energy: 1.0661688082123928
Energy: 1.1928935005231973
Energy: 1.0855980715072615
Energy: 1.0661688082123928
Energy: 1.1928935005231973
Energy: 1.0855980715093456
Energy: 1.1713497721530093
Energy: 1.0914722751393298
Energy: 1.0826994705603892
Energy: 1.1713497721530093
Energy: 1.0914722751393298
Energy: 1.0826994705603892
Energy: 1.1713497721530093
Energy: 1.0914722751372454
Energy: 1.0826994705603892
Energy: 1.1713497721530093
Energy: 1.0605361626571272
Energy: 1.1707075314024888
Energy: 1.0831226053485816
Energy: 1.0605361626571272
Energy: 1.1707075314024888
Energy: 1.0831226053485816
Energy: 1.0605361626571272
Energy: 1.1707075314024888
Energy: 1.0831226053485816
Energy: 1.0605361626592116
Energy: 1.106889168303271
Energy: 1.2065872547080865
Energy: 1.1473332154494944
Energy: 1.106889168303271
Energy: 1.206587254710171
Energy: 1.1473332154494944
Energy: 1.106889168303271
Energy: 1.206587254710171
Energy: 1.1473332154494944
Energy: 1.106889168303271
Energy: 1.1069258239995092
Energy: 1.1244502488172863
Energy: 1.0939602712983985
Energy: 1.1069258239995092
Energy: 1.1244502488172863
Energy: 1.0939602712983985
Energy: 1.1069258239995092
Energy: 1.124450248815202
Energy: 1.0939602712983985
Energy: 1.1069258239995092
Energy: 1.0688713640071563
Energy: 1.2374353905524826
Energy: 1.1554625852879068
Energy: 1.0688713640071563
Energy: 1.2374353905524826
Energy: 1.1554625852879068
Energy: 1.0688713640071563
Energy: 1.237435390550398
Energy: 1.1554625852879068
Energy: 1.0688713640071563
Energy: 1.1250728610005263
Energy: 1.0841343364598406
Energy: 1.0896805583455795
Energy: 1.1250728609984422
Energy: 1.0841343364598406
Energy: 1.0896805583455795
Energy: 1.1250728609984422
Energy: 1.0841343364598406
Energy: 1.0896805583455795
Energy: 1.1250728609984422
Energy: 1.1119661067508861
Energy: 1.2112029930269652
Energy: 1.0658627565449186
Energy: 1.1119661067508861
Energy: 1.2112029930269652
Energy: 1.0658627565449186
Energy: 1.1119661067508861
Energy: 1.2112029930269652
Energy: 1.0658627565449186
Energy: 1.1119661067508861
Energy: 1.1268846675084714
Energy: 1.1449553005115112
Energy: 1.0597942105297402
Energy: 1.1268846675084714
Energy: 1.1449553005115112
Energy: 1.0597942105276559
Energy: 1.1268846675084714
Energy: 1.1449553005115112
Energy: 1.0597942105297402
Energy: 1.1268846675084714
Energy: 1.0865609281455673
Energy: 1.0893332169770011
Energy: 1.1714552068190034
Energy: 1.086560928143483
Energy: 1.0893332169770011
Energy: 1.1714552068190034
Energy: 1.0865609281455673
Energy: 1.0893332169770011
Energy: 1.1714552068190034
Energy: 1.0865609281455673
Energy: 1.1421267094728051
Energy: 1.0980885152390711
Energy: 1.0605750745143134
Energy: 1.1421267094728051
Energy: 1.0980885152390711
Energy: 1.0605750745163978
Energy: 1.1421267094707206
Energy: 1.0980885152390711
Energy: 1.0605750745143134
Energy: 1.1421267094707206
Energy: 1.0714264214720197
Energy: 1.1854486721197584
Energy: 1.0972575751386153
Energy: 1.0714264214720197
Energy: 1.1854486721176738
Energy: 1.0972575751386153
Energy: 1.0714264214720197
Energy: 1.1854486721197584
Energy: 1.0972575751386153
Energy: 1.0714264214720197
Energy: 1.1012962650815428
Energy: 1.1083380468778152
Energy: 1.1185371391103098
Energy: 1.1012962650815428
Energy: 1.1083380468778152
Energy: 1.1185371391123944
Energy: 1.1012962650815428
Energy: 1.1083380468757311
Energy: 1.1185371391103098
Energy: 1.1012962650815428
Energy: 1.256211903909473
Energy: 1.0633962283854819
Energy: 1.0894409276547599
Energy: 1.256211903909473
Energy: 1.0633962283854819
Energy: 1.0894409276568442
Energy: 1.256211903909473
Energy: 1.0633962283854819
Energy: 1.0894409276547599
Energy: 1.256211903909473
Energy: 1.0669907243977443
Energy: 1.2937302784724276
Energy: 1.0666463466996516
Energy: 1.0669907243977443
Energy: 1.2937302784724276
Energy: 1.0666463466996516
Energy: 1.0669907243977443
Energy: 1.2937302784724276
Energy: 1.0666463466996516
Energy: 1.0669907243977443
Energy: 1.1087739581819347
Energy: 1.0594312930277696
Energy: 1.216549765240706
Energy: 1.108773958184019
Energy: 1.0594312930277696
Energy: 1.216549765240706
Energy: 1.108773958184019
Energy: 1.0594312930277696
Energy: 1.216549765240706
Energy: 1.108773958184019
Energy: 1.1107413693107855
Energy: 1.0715189987140363
Energy: 1.101113523529039
Energy: 1.1107413693107855
Energy: 1.0715189987140363
Energy: 1.101113523529039
Energy: 1.1107413693107855
Energy: 1.0715189987140363
Energy: 1.101113523529039
Energy: 1.1107413693087012
Energy: 1.1135475183250316
Energy: 1.1146883351002053
Energy: 1.0788288908328103
Energy: 1.1135475183250316
Energy: 1.1146883351002053
Energy: 1.0788288908328103
Energy: 1.1135475183250316
Energy: 1.1146883351002053
Energy: 1.0788288908328103
Energy: 1.1135475183250316
Energy: 1.0645377165949426
Energy: 1.0759062991256705
Energy: 1.1633842979124294
Energy: 1.0645377165949426
Energy: 1.075906299127755
Energy: 1.1633842979165983
Energy: 1.0645377165949426
Energy: 1.0759062991256705
Energy: 1.163384297920767
Energy: 1.0645377165949426
Energy: 1.1067209254732788
Energy: 1.0923052756946108
Energy: 1.0438565332910938
Energy: 1.1067209254711945
Energy: 1.0923052756946108
Energy: 1.0438565332890095
Energy: 1.1067209254711945
Energy: 1.0923052756946108
Energy: 1.0438565332910938
Energy: 1.1067209254711945

minimum gb energy = 1.0438565332890095 eV
minimum distance =  2.25528249072577 Angstroms
sigma value = 437


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

Energy: 0.9965963895950737
Energy: 1.065800204213484
Energy: 1.0665375418587277
Energy: 0.9965963895958333
Energy: 1.065800204213484
Energy: 1.066537541859487
Energy: 0.9965963895950737
Energy: 1.065800204213484
Energy: 1.0665375418587277
Energy: 0.9965963895950737
Energy: 1.1108952112662176
Energy: 0.9760700641966789
Energy: 0.9882748626873801
Energy: 1.1108952112639396
Energy: 0.9760700641966789
Energy: 0.9882748626873801
Energy: 1.1108952112654582
Energy: 0.9760700641974381
Energy: 0.9882748626881394
Energy: 1.1108952112654582
Energy: 1.0424845104048508
Energy: 0.966947581811128
Energy: 1.1143322522687784
Energy: 1.0424845104048508
Energy: 0.966947581811128
Energy: 1.1143322522680192
Energy: 1.0424845104048508
Energy: 0.966947581811128
Energy: 1.1143322522687784
Energy: 1.04248451040561
Energy: 1.0875328801063893
Energy: 1.0423842885668035
Energy: 0.9779101531250292
Energy: 1.0875328801056297
Energy: 1.0423842885690817
Energy: 0.9779101531265478
Energy: 1.0875328801063893
Energy: 1.0423842885668035
Energy: 0.9779101531250292
Energy: 1.0875328801056297
Energy: 1.0193027324261426
Energy: 0.9987911947784465
Energy: 1.1409081160017696
Energy: 1.0193027322166273
Energy: 0.998791194779206
Energy: 1.1409081160010102
Energy: 1.0193027320936792
Energy: 0.998791194779206
Energy: 1.1409081160017696
Energy: 1.0193027322773764
Energy: 0.9852218319111381
Energy: 1.1209803644820262
Energy: 0.9764049445772087
Energy: 0.9852218319103788
Energy: 1.120980364483545
Energy: 0.9764049445772087
Energy: 0.9852218319111381
Energy: 1.1209803644820262
Energy: 0.9764049445772087
Energy: 0.9852218319103788
Energy: 1.009687019359443
Energy: 0.9875551059949862
Energy: 0.9668042692612159
Energy: 1.0096870193677963
Energy: 0.9875551059934675
Energy: 0.9668042692612159
Energy: 1.0096870193617211
Energy: 0.9875551059949862
Energy: 0.9668042692619753
Energy: 1.0096870193670369
Energy: 0.9777385943794276
Energy: 1.1763220041375915
Energy: 1.0902395414262336
Energy: 0.977738594380187
Energy: 1.1763220041375915
Energy: 1.0902395414254742
Energy: 0.9777385943794276
Energy: 1.1763220041375915
Energy: 1.0902395414247148
Energy: 0.977738594380187
Energy: 1.1886411133752128
Energy: 0.9765586201816444
Energy: 0.9991360020799791
Energy: 1.1886411133752128
Energy: 0.9765586201831632
Energy: 0.9991360020799791
Energy: 1.1886411133759722
Energy: 0.9765586201816444
Energy: 0.9991360020799791
Energy: 1.1886411133752128
Energy: 1.0986069977993431
Energy: 1.1028313130626477
Energy: 1.0911649047647562
Energy: 1.0986069978030713
Energy: 1.1028313130634069
Energy: 1.0911649047639969
Energy: 1.0986069978001027
Energy: 1.1028313130634069
Energy: 1.0911649047647562
Energy: 1.0986069978008621
Energy: 1.0201815068093087
Energy: 0.9693500547932188
Energy: 1.000091108558902
Energy: 1.0201815068093087
Energy: 0.9693500547917
Energy: 1.0000911085596613
Energy: 1.0201815068085494
Energy: 0.9693500547939781
Energy: 1.0386436372464338
Energy: 1.0201815068093087
Energy: 1.0256978860711945
Energy: 0.9881918107310476
Energy: 1.03873958912061
Energy: 1.0256978860711945
Energy: 0.9881918107318068
Energy: 1.0387395891213693
Energy: 1.0256978860711945
Energy: 0.9881918107302881
Energy: 1.03873958912061
Energy: 1.025697886071954
Energy: 0.9999887361063813
Energy: 1.2299586041597041
Energy: 0.9988459278061956
Energy: 0.9999887361056219
Energy: 1.2299586041597041
Energy: 0.9988459278061956
Energy: 0.9999887361056219
Energy: 1.2299586041597041
Energy: 0.9988459278061956
Energy: 0.9999887361056219
Energy: 0.9842456032545059
Energy: 0.960855295715421
Energy: 1.0107540868924947
Energy: 0.9842456032537465
Energy: 0.960855295715421
Energy: 1.0107540868924947
Energy: 0.9842456032545059
Energy: 0.960855295715421
Energy: 1.0107540868924947
Energy: 0.9842456032545059

minimum gb energy = 0.960855295715421 eV
minimum distance =  2.19310031203362 Angstroms
sigma value = 33