Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657340407371
cohesive_energy=4.290337440834254
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: 0.014951576244445689
Energy: 0.015601136792721656
Energy: 0.015215443001100852
Energy: 1.5918197546921284
Energy: 0.015215443042302813
Energy: 0.015601136792014886
Energy: 0.014951576244445689
Energy: 0.015601136792721656
Energy: 0.01521544302780098
Energy: 1.5918197546925734
Energy: 0.7097767008894457
Energy: 0.015471491484612868
Energy: 0.0171052764306892
Energy: 0.705342418114626
Energy: 0.01710527643045361
Energy: 0.015469862615972727
Energy: 0.7097767008892101
Energy: 0.015470921177479386
Energy: 0.0171052764302442
Energy: 0.705342418114626
Energy: 0.014951576244445689
Energy: 0.015601136792721656
Energy: 0.015215443158108067
Energy: 1.5918197546921284
Energy: 0.015215443082379179
Energy: 0.015601136792721656
Energy: 0.014951576244681278
Energy: 0.015601136792486066
Energy: 0.015215443041831636
Energy: 1.5918197546921284
Energy: 0.7097767008892101
Energy: 0.015469933785630652
Energy: 0.0171052764306892
Energy: 0.705342418114626
Energy: 0.01710527643045361
Energy: 0.015470719470039982
Energy: 0.7097767008892101
Energy: 0.01546993952534634
Energy: 0.01710527643045361
Energy: 0.7053424181148615
Energy: 0.014951576244445689
Energy: 0.015601136792721656
Energy: 0.015215443003849395
Energy: 1.5918197546925734
Energy: 0.015215443054972284
Energy: 0.015601136792721656
Energy: 0.014951576244445689
Energy: 0.015601136792486066
Energy: 0.01521544298220135
Energy: 1.5918197546925734
Energy: 0.7097767008892101
Energy: 0.015470876793231142
Energy: 0.01710527643045361
Energy: 0.705342418114626
Energy: 0.0171052764306892
Energy: 0.01546989548579149
Energy: 0.7097767008894457
Energy: 0.015472075094534585
Energy: 0.01710527643045361
Energy: 0.7053424181148615
Energy: 0.014951576244445689
Energy: 0.015601136792486066
Energy: 0.015215443029633341
Energy: 1.5918197546923638
Energy: 0.015215442993954643
Energy: 0.015601136792721656
Energy: 0.014951576244445689
Energy: 0.015601136792250477
Energy: 0.015215443127272039
Energy: 1.5918197546921284

minimum gb energy = 0.014951576244445689 eV
minimum distance =  2.33646559452147 Angstroms
sigma value = 3


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

Energy: 1.5142268471777356
Energy: 1.5014564851597407
Energy: 1.3826571090638935
Energy: 1.3908903942652715
Energy: 1.3438800269094608
Energy: 1.3275521355671727
Energy: 1.514226847158602
Energy: 1.5014564825969177
Energy: 1.3826571121219222
Energy: 1.3908903942664
Energy: 1.3693482351366253
Energy: 1.3088946277077989
Energy: 1.3813580688704012
Energy: 1.438965282832532
Energy: 1.3254318587023888
Energy: 1.3041655247070227
Energy: 1.3693482351383182
Energy: 1.3088946277072344
Energy: 1.3813580725076584
Energy: 1.438965284219407
Energy: 1.4021698378046272
Energy: 1.389850647100447
Energy: 1.3097521520106212
Energy: 1.3495951736066698
Energy: 1.3274516914274108
Energy: 1.315697089014585
Energy: 1.4021695311017555
Energy: 1.3898506470998828
Energy: 1.3097521520117499
Energy: 1.3495951736061054
Energy: 1.3289298071653861
Energy: 1.324089857295114
Energy: 1.2910020365020327
Energy: 1.3274123221383713
Energy: 1.2859247653437882
Energy: 1.357211622374048
Energy: 1.3289298071603082
Energy: 1.3240898572889073
Energy: 1.2910020364806427
Energy: 1.3274123288595618
Energy: 1.4221228289418364
Energy: 1.3461645327134253
Energy: 1.3311199894973225
Energy: 1.3221574758785497
Energy: 1.2858713032145415
Energy: 1.2890074935447549
Energy: 1.4221228289412722
Energy: 1.3461645327151177
Energy: 1.3311199894973225
Energy: 1.322157475879114
Energy: 1.2853814297660748
Energy: 1.3040062937338777
Energy: 1.3311795145133243
Energy: 1.3249484022422788
Energy: 1.3237404487938063
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Energy: 1.3040062937333137
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Energy: 1.3249484022422788
Energy: 1.3824410369045232
Energy: 1.3488005847454763
Energy: 1.3906936507744843
Energy: 1.3101127059209428
Energy: 1.249556461667795
Energy: 1.4209003580488966
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Energy: 1.390693651073947
Energy: 1.310112705923764
Energy: 1.3386154740475975
Energy: 1.3800573049308482
Energy: 1.339146165174218
Energy: 1.333656236653489
Energy: 1.3252883726780451
Energy: 1.7129194870217577
Energy: 1.3386154740470333
Energy: 1.3800573053651666
Energy: 1.3391461651736538
Energy: 1.3336562366619527
Energy: 1.3189295922849607
Energy: 1.3877654649217768
Energy: 1.417526298983465
Energy: 1.471092510819697
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Energy: 1.4060466146280388
Energy: 1.3189295922849607
Energy: 1.3877654007460007
Energy: 1.417526495888602
Energy: 1.4710925108208255
Energy: 1.3435939602160507
Energy: 1.35711160643133
Energy: 1.3995068705891531
Energy: 1.4104757802505663
Energy: 1.5618330603875545
Energy: 1.4250825406325527
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Energy: 1.357111606446565
Energy: 1.3995068705902818
Energy: 1.4104757802629282
Energy: 1.2398384318538582
Energy: 1.4382686650903973
Energy: 1.3638868831465811
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Energy: 1.311294909531898
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Energy: 1.3652445270558158
Energy: 1.3157359683819057
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Energy: 1.4218091928380927
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Energy: 1.260250673995008
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Energy: 1.3157359683813417
Energy: 1.2890491495370981
Energy: 1.2961976441549665
Energy: 1.336826813189309
Energy: 1.3310401093206643
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Energy: 1.3017811634081158
Energy: 1.428363459964611
Energy: 1.2961976441549665
Energy: 1.3368268131887449
Energy: 1.3310401093184077
Energy: 1.2964027858589653
Energy: 1.3089877110136239
Energy: 1.2976603275558363
Energy: 1.327904160756117
Energy: 1.3395658458015576
Energy: 1.5309934575578783
Energy: 1.2861882782012906
Energy: 1.3089877109160601
Energy: 1.2976603275564005
Energy: 1.327904160756117
Energy: 1.3395658458015576
Energy: 1.342670633553318
Energy: 1.483258775346986
Energy: 1.3438457544285627
Energy: 1.2826411089664742
Energy: 1.3829396786476662
Energy: 1.3269097621029429
Energy: 1.3426706379463107
Energy: 1.483258775344729
Energy: 1.3438457544274343
Energy: 1.2826411089653458
Energy: 1.4471545564035528
Energy: 1.339975618894924
Energy: 1.3399784304877396
Energy: 1.3358048273069962
Energy: 1.4261765089251883
Energy: 1.3551129922182525
Energy: 1.4471542210439197
Energy: 1.339975618894924
Energy: 1.3399784304967675
Energy: 1.3358048272060468
Energy: 1.4050361232351851
Energy: 1.4812211814570213
Energy: 1.3815833872184113
Energy: 1.28159120249663
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Energy: 1.3255325033889047
Energy: 1.4054915493062328
Energy: 1.48122118115248
Energy: 1.3815833870830427
Energy: 1.2815912018733904
Energy: 1.3055728419550185
Energy: 1.3283490699399936
Energy: 1.3544979122663452
Energy: 1.3205919308600709
Energy: 1.4421438466786745
Energy: 1.3168200811552728
Energy: 1.3055728419521972
Energy: 1.3283490699411222
Energy: 1.354497912264088
Energy: 1.320591930862328
Energy: 1.4113262747497501
Energy: 1.3932925524756303
Energy: 1.2878657896692254
Energy: 1.342676312471188
Energy: 1.350560329543845
Energy: 1.2757155570709233
Energy: 1.4113262747458004
Energy: 1.3932925524480335
Energy: 1.2878657896737395
Energy: 1.342676312470624
Energy: 1.3430898943540546
Energy: 1.3283056425595134
Energy: 1.3188775917244224
Energy: 1.291767229559168
Energy: 1.5319411715197293
Energy: 1.331767741455985
Energy: 1.3430898943557472
Energy: 1.3283056425578206
Energy: 1.3188775917176512
Energy: 1.2917672295856877
Energy: 1.342000143206938
Energy: 1.326682975931515
Energy: 1.335136819968644
Energy: 1.416502264514716
Energy: 1.2853855912759442
Energy: 1.3232473194275782
Energy: 1.3420001432103237
Energy: 1.3266829759320793
Energy: 1.3351368199697724
Energy: 1.4165022645141518
Energy: 1.3653683541099815
Energy: 1.342033796995995
Energy: 1.3215538803745062
Energy: 1.2804371543438935
Energy: 1.3588674771091478
Energy: 1.2803858297248565
Energy: 1.3653683541094173
Energy: 1.3420337969982006
Energy: 1.3215538803733775
Energy: 1.2804371543444577
Energy: 1.3392335771017818
Energy: 1.2921678863256352
Energy: 1.288793443347077
Energy: 1.6770851900839323
Energy: 1.2900441999453587
Energy: 1.3747901794838335
Energy: 1.3392335771012178
Energy: 1.292167886363953
Energy: 1.288793443347077
Energy: 1.6770851900850607
Energy: 1.435168940532107
Energy: 1.372478795437883
Energy: 1.2768954459276634
Energy: 1.400048135256501
Energy: 1.3221892170774867
Energy: 1.3404391843966648
Energy: 1.435168758656996
Energy: 1.3724787948671187
Energy: 1.276895445978959
Energy: 1.4000495338186105
Energy: 1.3755692348896829
Energy: 1.3546956102268186
Energy: 1.3273335750469422
Energy: 1.410315369093746
Energy: 1.3806974215177128
Energy: 1.382657070776259
Energy: 1.3755692348902473
Energy: 1.3546956066127471
Energy: 1.3273335750345288
Energy: 1.4103153694490693
Energy: 1.438965183841618
Energy: 1.3254320166137583
Energy: 1.3041655247070227
Energy: 1.3693482351321113
Energy: 1.3088946277083628
Energy: 1.3813315707767129
Energy: 1.4389651825867265
Energy: 1.3254320145754312
Energy: 1.304165524707587
Energy: 1.3693482351326758
Energy: 1.3392335771012178
Energy: 1.3274516860186145
Energy: 1.3156970890134563
Energy: 1.4023835008561296
Energy: 1.3898506470998828
Energy: 1.3097521520049789
Energy: 1.3392335771017818
Energy: 1.327451685412354
Energy: 1.3156970890140205
Energy: 1.4023828687189333
Energy: 1.3274123558204447
Energy: 1.285924780762992
Energy: 1.357274860475083
Energy: 1.3289298072719784
Energy: 1.324089857310913
Energy: 1.291002038392013
Energy: 1.3274123555248805
Energy: 1.2859247809569916
Energy: 1.3572748604745188
Energy: 1.32892980727085

minimum gb energy = 1.2398384306598542 eV
minimum distance =  2.26387025428423 Angstroms
sigma value = 75


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

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Energy: 1.4060288092444853
Energy: 1.4105379584269129
Energy: 1.5165457822143609
Energy: 1.4782985453174653
Energy: 1.5101085540079373
Energy: 1.6045974533369185
Energy: 1.404203430907119
Energy: 1.4105379582323327
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Energy: 1.2381343452375229
Energy: 1.2910121616041217
Energy: 1.4290714469369277
Energy: 1.4493290417025368
Energy: 1.4453386818249865
Energy: 1.3417041655703466
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Energy: 1.2910121266373036
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Energy: 1.4493290416989575
Energy: 1.4721706233019705
Energy: 1.3195159903644034
Energy: 1.2753862925172474
Energy: 1.3141086808793376
Energy: 1.3635287701920484
Energy: 1.2888557078290646
Energy: 1.4721706233019705
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Energy: 1.304365860821659
Energy: 1.3324195068344409
Energy: 1.3145666727076388
Energy: 1.3554722120955984
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Energy: 1.3108156257995
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Energy: 1.3324195068347164
Energy: 1.348685318996097
Energy: 1.3756609186014825
Energy: 1.3040365090131592
Energy: 1.4497542457280808
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Energy: 1.3486853189966477
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Energy: 1.3193286196620782
Energy: 1.266419001572719
Energy: 1.332023503076842
Energy: 1.3522712483133164
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Energy: 1.368107546279767
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Energy: 1.266419001573545
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Energy: 1.3522712483135917
Energy: 1.3740166648929792
Energy: 1.4000162040014712
Energy: 1.4204094795831772
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Energy: 1.3624516748108781
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Energy: 1.4418416890929429
Energy: 1.4654705612224987
Energy: 1.4693731777475207
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minimum gb energy = 1.2381343452375229 eV
minimum distance =  2.22079281434768 Angstroms
sigma value = 105


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

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Energy: 1.3156184630940206
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Energy: 1.3175864274230387
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Energy: 1.3156184630921572
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Energy: 1.3241979284429344
Energy: 1.2596916992802398
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Energy: 1.3194718649552069
Energy: 1.3115617104904613
Energy: 1.3314569725808565
Energy: 1.3241979284435557
Energy: 1.259691699283967
Energy: 1.4857203929918104
Energy: 1.3194718649552069
Energy: 1.3917785006370236
Energy: 1.557856774855491
Energy: 1.3468882287661876
Energy: 1.3140680926183004
Energy: 1.358729711753026
Energy: 1.3462312281851014
Energy: 1.3917785006252206
Energy: 1.5578567748607717
Energy: 1.3468882287668087
Energy: 1.3140680926223383
Energy: 1.3500234939329383
Energy: 1.6119640951342384
Energy: 1.682399535119279
Energy: 1.54832192266288
Energy: 1.265748484036955
Energy: 1.3959696952288547
Energy: 1.3500234944390057
Energy: 1.6119640951342384
Energy: 1.6823995351211425
Energy: 1.5483219230329568
Energy: 1.477378058202124
Energy: 1.3530738479630604
Energy: 1.4234132833484947
Energy: 1.184960410071699
Energy: 1.3439002372034263
Energy: 1.447483738224487
Energy: 1.4773780582027454
Energy: 1.3530738479652344
Energy: 1.4234132833488053
Energy: 1.1849604100713882
Energy: 1.2972450751520805
Energy: 1.3493670610559372
Energy: 1.2543585191129647
Energy: 1.3107609760055217
Energy: 1.4768556052499087
Energy: 1.1880607219954111
Energy: 1.297245073752475
Energy: 1.349367061055316
Energy: 1.254358519993768
Energy: 1.3107609760058323
Energy: 1.3231053244373618
Energy: 1.2997414380428711
Energy: 1.3738402651496935
Energy: 1.2177646936558464
Energy: 1.3458136035017403
Energy: 1.326922192233981
Energy: 1.3231053244367403
Energy: 1.2997414380431818
Energy: 1.3738402651496935
Energy: 1.2177646936629904
Energy: 1.3847819079027195
Energy: 1.4216010203548735
Energy: 1.3713344154360343
Energy: 1.362427856558365
Energy: 1.2735158795666215
Energy: 1.3610832564996278
Energy: 1.3847819061824238
Energy: 1.4216010203533203
Energy: 1.3713344154378977
Energy: 1.3624278565580543

minimum gb energy = 1.0858544938164407 eV
minimum distance =  2.24675455746804 Angstroms
sigma value = 165


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

Energy: 1.44434214662703
Energy: 1.6340230534107092
Energy: 1.337267324333149
Energy: 1.4302512901231061
Energy: 1.3619766300530411
Energy: 1.6343281179228855
Energy: 1.4443421466248973
Energy: 1.6340230534107092
Energy: 1.3372673243342152
Energy: 1.4302512901241724
Energy: 1.2389817881477636
Energy: 1.4195798461611113
Energy: 1.3333993653429659
Energy: 1.2410682154982597
Energy: 1.2221571353072673
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Energy: 1.23898178814883
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Energy: 1.3333993653429659
Energy: 1.2410682154982597
Energy: 1.2423252403978935
Energy: 1.4077239567007855
Energy: 1.3251247949025877
Energy: 1.2700633574208207
Energy: 1.2301448568069786
Energy: 1.3248747658242834
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Energy: 1.2700633577043683
Energy: 1.232393818556555
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Energy: 1.2509267245598346
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Energy: 1.2443090555882408
Energy: 1.2305713808910812
Energy: 1.2475318101598547
Energy: 1.3542987953058623
Energy: 1.625424612670306
Energy: 1.2597726460965688
Energy: 1.4292794937436504
Energy: 1.333096351326223
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Energy: 1.3542987953058623
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Energy: 1.2597726460933698
Energy: 1.4292794998542173
Energy: 1.3039539917583758
Energy: 1.310010552033799
Energy: 1.4225181318916218
Energy: 1.4102708002037212
Energy: 1.2324124055221317
Energy: 1.427790060775482
Energy: 1.3039540060462065
Energy: 1.3100105520327328
Energy: 1.4225181318916218
Energy: 1.4102708002037212
Energy: 1.263555987042
Energy: 1.3775009292078588
Energy: 1.2682810866797938
Energy: 1.241932031475986
Energy: 1.2359613440207198
Energy: 1.2618605406129184
Energy: 1.2635559870430662
Energy: 1.3775009292035936
Energy: 1.26828108668086
Energy: 1.241932031475986
Energy: 1.2554689344043954
Energy: 1.3251247949025877
Energy: 1.4095240437894931
Energy: 1.244605222911347
Energy: 1.3248747658125537
Energy: 1.2309433422500025
Energy: 1.2554689343905816
Energy: 1.3251247949015215
Energy: 1.4095240437894931
Energy: 1.2446052229102809
Energy: 1.2447926881167632
Energy: 1.3338610053310427
Energy: 1.2613697416781184
Energy: 1.2426813252733055
Energy: 1.2442770750784387
Energy: 1.2224272772875
Energy: 1.2447926881156972
Energy: 1.3338610053299762
Energy: 1.2613697416770522
Energy: 1.2426813252733055
Energy: 1.4376637739860998
Energy: 1.3619766300530411
Energy: 1.6343281179218192
Energy: 1.4443421465737134
Energy: 1.634023053409643
Energy: 1.3372673243288835
Energy: 1.4376637739871658
Energy: 1.3619766300530411
Energy: 1.6343281179228855
Energy: 1.4443421465747799

minimum gb energy = 1.2221571353072673 eV
minimum distance =  2.23300089974028 Angstroms
sigma value = 41


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

Energy: 2.1588038814889976
Energy: 1.615204068301536
Energy: 1.1953211648565605
Energy: 1.4008485389910261
Energy: 1.2214622996562754
Energy: 1.541500308156028
Energy: 2.158803881488584
Energy: 1.6152040683031907
Energy: 1.1953211659313507
Energy: 1.400848538288403
Energy: 1.3279811600755302
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Energy: 1.3739428230817687
Energy: 1.3498816399105626
Energy: 1.2059496559948557
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Energy: 1.219770066735218
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Energy: 1.216640946215956
Energy: 1.5356690828766826
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Energy: 1.1920643772998467
Energy: 1.4000202129768942
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Energy: 1.4000202129764803
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Energy: 1.2001043808556804
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Energy: 1.3754353493511244
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Energy: 1.3814430472617194
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Energy: 1.1793232162166765
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Energy: 1.3554587725844487
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Energy: 1.1936269899517988
Energy: 1.390398821340702
Energy: 1.3490105693984913
Energy: 1.355458772577829
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Energy: 1.1591093199778115
Energy: 1.4039598409273375
Energy: 1.3739220707376205
Energy: 1.3287724744699334
Energy: 1.393412181679611
Energy: 1.2061995761269073
Energy: 1.1591096742223772
Energy: 1.4039593160018207
Energy: 1.3739220707380342
Energy: 1.3287724744691058
Energy: 1.1745647301389595
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Energy: 1.2163680261354024
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Energy: 1.2151618723542357
Energy: 1.2680123374347618
Energy: 1.1745647301393731
Energy: 1.1756011872508827
Energy: 1.2163680261345748
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Energy: 1.6079129163615207
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Energy: 1.3639139957001742
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Energy: 1.2195051053201826
Energy: 1.2217019004222052
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Energy: 1.9878743907196446
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Energy: 1.2085132308030466
Energy: 1.5836397346039404
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Energy: 1.542539873789533
Energy: 1.987874390720058
Energy: 1.6252310051212722
Energy: 1.2085127130686502
Energy: 1.1734533291043245
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Energy: 1.3427512712374003
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Energy: 1.2434804738149552
Energy: 1.1758394361042064
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Energy: 1.2434804738145415
Energy: 1.2119104366289986
Energy: 1.2166776961918822
Energy: 1.243480473815369
Energy: 1.175839436103379
Energy: 1.1816428145729545
Energy: 1.2434804738141276
Energy: 1.3686658052015999
Energy: 1.4886055179214108
Energy: 1.2340548920670116
Energy: 1.1999596219496191
Energy: 1.3997830413301147
Energy: 1.4091477054011217
Energy: 1.3686658052024274
Energy: 1.4886055179189281
Energy: 1.2340549287037212
Energy: 1.1999596219492055
Energy: 1.1982520096959077
Energy: 1.2614580314225603
Energy: 1.2867505283639395
Energy: 1.5152478494941655
Energy: 1.3724743214516786
Energy: 1.342115893747952
Energy: 1.1981908426696997
Energy: 1.261458031069387
Energy: 1.286654819194481
Energy: 1.5152478494941655
Energy: 1.3356110138695745
Energy: 1.21950510532101
Energy: 1.3311219100860088
Energy: 1.3549856871696908
Energy: 1.3748251094681454
Energy: 1.3669571704703072
Energy: 1.3356110138699884
Energy: 1.2195051053197692
Energy: 1.3311219103664036
Energy: 1.3549856871713457
Energy: 1.2186064613767884
Energy: 1.216368026134161
Energy: 1.1770031881716572
Energy: 1.1750834212788415
Energy: 1.268012337437244
Energy: 1.2109983279648198
Energy: 1.2186064629135245
Energy: 1.2163680261345748
Energy: 1.1770031881712435
Energy: 1.1750834212784278
Energy: 1.3654174823857939
Energy: 1.3138945033039673
Energy: 1.245902445186608
Energy: 1.1481213102268522
Energy: 1.2000651283515569
Energy: 1.3940325254150605
Energy: 1.3654174823857939
Energy: 1.3138945033618894
Energy: 1.245902465011516
Energy: 1.1481213102268522
Energy: 1.1823606034937124
Energy: 1.373467830732429
Energy: 1.461638346020896
Energy: 1.7168486965604288
Energy: 1.608741210295819
Energy: 1.3543918564542736
Energy: 1.1824056167345753
Energy: 1.373467830732429
Energy: 1.4616383584817831
Energy: 1.716847834418039
Energy: 1.3664556670540324
Energy: 1.3365734927183797
Energy: 1.5076065960319043
Energy: 1.3443558701738025
Energy: 1.5271064219844306
Energy: 1.3754227426656893
Energy: 1.3664556670527912
Energy: 1.3365734927175523
Energy: 1.5076065963921108
Energy: 1.3443558703441834

minimum gb energy = 1.1432528760985194 eV
minimum distance =  2.26712112972669 Angstroms
sigma value = 185


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

Energy: 1.9238835558367384
Energy: 1.2664133204304866
Energy: 1.4540002054706
Energy: 1.5350437837653887
Energy: 1.4538251698309548
Energy: 1.158614473534629
Energy: 1.9238835558367384
Energy: 1.2664133201609973
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Energy: 1.6181524801358524
Energy: 1.4115720714639433
Energy: 1.301608752209082
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Energy: 1.1864608337074463
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Energy: 1.3737309864136409
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Energy: 1.29409538943685
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Energy: 1.6782523048810558
Energy: 1.2929912020924605
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Energy: 1.2939462818269494
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Energy: 1.2468588435528163
Energy: 1.2939462818269494
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Energy: 1.3343186620935021
Energy: 1.5116237448408856
Energy: 1.449235511152357
Energy: 1.439714151555923
Energy: 1.3010450039172357
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Energy: 1.1570988278864207
Energy: 1.327609282480201
Energy: 1.449235511152357
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Energy: 1.3010450039167445
Energy: 1.192632100103177
Energy: 1.272097141965965
Energy: 1.2940187701209
Energy: 1.485419983401779
Energy: 1.5496146227964032
Energy: 1.2649103164482507
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Energy: 1.294018770119918
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Energy: 1.8354144242750265
Energy: 1.2664133061031466
Energy: 1.4540002055181933
Energy: 1.5249924387674993
Energy: 1.4534311913596132
Energy: 1.2988817934762655
Energy: 1.8354144242750265
Energy: 1.1864608332798627
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Energy: 1.2649103200735383
Energy: 1.5765778627827622
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Energy: 1.3016087522071174
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Energy: 1.211971764353039
Energy: 1.264910319893879
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Energy: 1.4548751462708147
Energy: 1.3125666784965633
Energy: 1.1906182325940795
Energy: 1.231914038450475
Energy: 1.2992308851471481
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Energy: 1.231914038447528
Energy: 1.294048133177375
Energy: 1.2997009124510779
Energy: 1.5786772296383644
Energy: 1.3815318463543247
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Energy: 1.2322265173040714
Energy: 1.294048133177375
Energy: 1.2997009126616776
Energy: 1.5786772296373823
Energy: 1.3815318463548159
Energy: 1.4381897359884135
Energy: 1.5312098682146886
Energy: 1.5861509813998784
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Energy: 1.2929912020924605
Energy: 1.211009126835131
Energy: 1.4381897359879223
Energy: 1.5312098681764263
Energy: 1.5861509813939851
Energy: 1.6782523048830205
Energy: 1.303047078420381
Energy: 1.171630267026292
Energy: 1.343468779143427
Energy: 1.3150469370702642
Energy: 1.4563476083139204
Energy: 1.372118326481276
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Energy: 1.3150469370717377
Energy: 1.342809403081343
Energy: 1.3631401530292304
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Energy: 1.303051226130428
Energy: 1.5123348488046833
Energy: 1.4504783344416319
Energy: 1.3428094030823254
Energy: 1.3631401530273104
Energy: 1.155603655116997
Energy: 1.3030512261299367
Energy: 1.262811316974671
Energy: 1.4991551657683346
Energy: 1.4627771122934339
Energy: 1.4366066002999323
Energy: 1.2764246079848187
Energy: 1.2972355324431166
Energy: 1.2628113170900386
Energy: 1.4992371174691697
Energy: 1.4627771123042386
Energy: 1.4366066002994409
Energy: 1.4656335385133399
Energy: 1.4890526384891447
Energy: 1.2468588280914885
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Energy: 1.255283845326312
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Energy: 1.4656335385143222
Energy: 1.489052638464589
Energy: 1.2468588286820335
Energy: 1.2939462818264584
Energy: 1.186113697229885
Energy: 1.157098827888876
Energy: 1.3218395214214422
Energy: 1.4492355111518658
Energy: 1.348909950671565
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Energy: 1.1570988278869117
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Energy: 1.2219906525590054
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Energy: 1.4540002055118089
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Energy: 1.4540002055147556
Energy: 1.5377901813643549
Energy: 1.61815248013045
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Energy: 1.3016087522071174
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Energy: 1.6181524801289768
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Energy: 1.3016087522076087
Energy: 1.1864608344855088
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Energy: 1.4474965654874896
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Energy: 1.4474965654869987
Energy: 1.3737309863787717
Energy: 1.3226077283255697
Energy: 1.1920959536936078
Energy: 1.2940953894363592
Energy: 1.251889919478961
Energy: 1.579719002967127
Energy: 1.3737309863792628
Energy: 1.3226077283633413
Energy: 1.1920959537829463
Energy: 1.2940953894373413
Energy: 1.678252304885967
Energy: 1.2929912020924605
Energy: 1.2109062012851275
Energy: 1.4381897359098796
Energy: 1.4512053077992215
Energy: 1.4558557242207844
Energy: 1.6782523048864584
Energy: 1.2929912020924605
Energy: 1.210903104885998
Energy: 1.4381897359039864
Energy: 1.315046935905381
Energy: 1.456347608488713
Energy: 1.3721183264827497
Energy: 1.3030470784193986
Energy: 1.1597598525872577
Energy: 1.3636034552042322
Energy: 1.3150469358047465
Energy: 1.4563476084867486
Energy: 1.3721183264871697
Energy: 1.3030470784193986
Energy: 1.3030474456153327
Energy: 1.4413228516196104
Energy: 1.4540397393533102
Energy: 1.3428094029753066
Energy: 1.3491412794591888
Energy: 1.1556036551052102
Energy: 1.3030474456153327
Energy: 1.4413228515542917
Energy: 1.4540397391932955
Energy: 1.3428094029748154
Energy: 1.4366066003018967
Energy: 1.2338532024016764
Energy: 1.2963263902672304
Energy: 1.469643474670128
Energy: 1.5032807740553584
Energy: 1.472026395988864
Energy: 1.4366066003009144
Energy: 1.2338723257038122
Energy: 1.2963263903162976
Energy: 1.4696434746627614
Energy: 1.2939462818264584
Energy: 1.2552841329913402
Energy: 1.334318661782268
Energy: 1.5118558161386664
Energy: 1.5622270662219613
Energy: 1.2468588365442723
Energy: 1.2939462818269494
Energy: 1.2552840799796956
Energy: 1.334318661782268
Energy: 1.5121650507964166
Energy: 1.4492355111518658
Energy: 1.4397141515068559
Energy: 1.3010450039172357
Energy: 1.192632100106615
Energy: 1.157098827883474
Energy: 1.327609282516499
Energy: 1.4492355111518658
Energy: 1.4397141515166785
Energy: 1.3010450039177268
Energy: 1.1926321001046503
Energy: 1.2720971419546696
Energy: 1.2940187701213914
Energy: 1.4854199833963766
Energy: 1.5496146227973855
Energy: 1.2649103136722373
Energy: 1.2259743130030647
Energy: 1.2720971419556517
Energy: 1.2940187701213914
Energy: 1.4854199833953945
Energy: 1.5496146227964032

minimum gb energy = 1.1556036551052102 eV
minimum distance =  2.22643151825915 Angstroms
sigma value = 33


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

Energy: 1.4911925193528033
Energy: 1.3081900158207718
Energy: 1.4342423710676617
Energy: 1.5414596272657104
Energy: 1.4438222331900745
Energy: 1.3538576022891315
Energy: 1.4911925193519946
Energy: 1.3081900158442277
Energy: 1.4342423710921717
Energy: 1.5414596255994533
Energy: 1.5837523476956357
Energy: 1.5158334426173352
Energy: 1.291029515013103
Energy: 1.253262636388555
Energy: 1.266306903993795
Energy: 1.316220322442457
Energy: 1.58375234793196
Energy: 1.5158334426146391
Energy: 1.2910295219748242
Energy: 1.253262636389364
Energy: 1.3269049939604456
Energy: 1.2366753378959177
Energy: 1.4527413143945205
Energy: 1.4264270569966209
Energy: 1.2614754635776009
Energy: 1.2394622471082555
Energy: 1.3269051720713083
Energy: 1.236675337895109
Energy: 1.4527413143947903
Energy: 1.4264270568588997
Energy: 1.226593306732704
Energy: 1.2371342000937813
Energy: 1.223907203539698
Energy: 1.466985487943612
Energy: 1.296964340575695
Energy: 1.473843700911636
Energy: 1.2265933068035864
Energy: 1.2371342000921637
Energy: 1.2239072035407765
Energy: 1.466985487943612
Energy: 1.2147338460024468
Energy: 1.2380359179221114
Energy: 1.2502121434908309
Energy: 1.5707928898071295
Energy: 1.3107965598932625
Energy: 1.4678052183021533
Energy: 1.214733845999481
Energy: 1.2380359179229201
Energy: 1.2502121434911007
Energy: 1.5707928898068595
Energy: 1.396982613551009
Energy: 1.2395123030435513
Energy: 1.3275704329950035
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Energy: 1.254605277046382
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Energy: 1.3071661750286738
Energy: 1.4527344702069505
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Energy: 1.227086236489108
Energy: 1.5577403451647116
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Energy: 1.2545418525275391
Energy: 1.2530731177357577
Energy: 1.277389417357082
Energy: 1.2270862364853337
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Energy: 1.2795886760708635
Energy: 1.3215753751005828
Energy: 1.2466382387388004
Energy: 1.4442986300928027
Energy: 1.2346976129695895
Energy: 1.4813368359717787
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Energy: 1.3215753751008523
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Energy: 1.234697612971207
Energy: 1.4490874489256922
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Energy: 1.2662911813077637
Energy: 1.2440621849838798
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Energy: 1.4250015244394116
Energy: 1.3952656455006025
Energy: 1.2662911812932296
Energy: 1.3029543953322635
Energy: 1.461230926442443
Energy: 1.2385569529445466
Energy: 1.2330503156537642
Energy: 1.2515217628578934
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Energy: 1.3029543962054047
Energy: 1.4612309264429821
Energy: 1.2385569529461644
Energy: 1.2330503156534944
Energy: 1.257984525994565
Energy: 1.4100567584905006
Energy: 1.4037849381302163
Energy: 1.2315917960665501
Energy: 1.5612591056868315
Energy: 1.234228518653189
Energy: 1.257984525993217
Energy: 1.4100567584915793
Energy: 1.4037849381294076
Energy: 1.231591796066011
Energy: 1.2670295775857188
Energy: 1.2569249629229988
Energy: 1.4801107274787413
Energy: 1.3325460971495564
Energy: 1.5861726981663444
Energy: 1.3072856240594177
Energy: 1.2670295775986355
Energy: 1.2569249629216506
Energy: 1.4801107274792809
Energy: 1.332546097151174
Energy: 1.4215975832718357
Energy: 1.5943845958015463
Energy: 1.43587740022665
Energy: 1.300125992647543
Energy: 1.4483986737193277
Energy: 1.341160495915207
Energy: 1.4215975832729142
Energy: 1.5943845958028944
Energy: 1.43587740022665
Energy: 1.3001259926491608
Energy: 1.4280258724617267
Energy: 1.2549462547757335
Energy: 1.2770059159822484
Energy: 1.2299846598495199
Energy: 1.3250232537524802
Energy: 1.291871783024091
Energy: 1.4280258724614572
Energy: 1.2549462547754637
Energy: 1.2770059159827876
Energy: 1.2299846598514073
Energy: 1.2730115338931312
Energy: 1.503321435610519
Energy: 1.2899774810999154
Energy: 1.235486538520044
Energy: 1.2130381796859944
Energy: 1.2367931020730065
Energy: 1.2730115357682372
Energy: 1.503321435610519
Energy: 1.2899774808158702
Energy: 1.235486538519505
Energy: 1.2221088147412251
Energy: 1.468260117539106
Energy: 1.3535586073844112
Energy: 1.4396101883063246
Energy: 1.4014925447458964
Energy: 1.2325122811379041
Energy: 1.2221088147409556
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Energy: 1.2448524860104109
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Energy: 1.257083044194773
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Energy: 1.4382117063457414
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Energy: 1.2143667165405494
Energy: 1.2309626508749685
Energy: 1.4982053311059589
Energy: 1.4244190826858403
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Energy: 1.2393734707246142
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Energy: 1.2515855039863062
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Energy: 1.424419082686649
Energy: 1.1810756642773348
Energy: 1.2393734707375557
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Energy: 1.575804261556406
Energy: 1.2110069321890704
Energy: 1.4600032072481521
Energy: 1.432108131191578
Energy: 1.2528078408259693

minimum gb energy = 1.1743984979275737 eV
minimum distance =  2.2477117700565 Angstroms
sigma value = 219


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

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Energy: 1.179362316560772
Energy: 1.1968106403663052
Energy: 1.4922802941028102
Energy: 1.1765458236968926
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Energy: 1.1162290859768416
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Energy: 1.2349803114617648
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Energy: 1.1707522163745974
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Energy: 1.1774056146212213
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Energy: 1.1618773341703168
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Energy: 1.1892314207607813
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Energy: 1.3326812255091869
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Energy: 1.1790260427747665
Energy: 1.1892314207607813
Energy: 1.2044130194731968
Energy: 1.1760128521511362
Energy: 1.3326812255091869

minimum gb energy = 1.1162290859768416 eV
minimum distance =  2.2342885597599 Angstroms
sigma value = 15


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

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Energy: 1.393521230345593
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Energy: 1.3519070406330522
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Energy: 1.4148288386724837
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minimum gb energy = 1.3519070406330522 eV
minimum distance =  2.26457367590927 Angstroms
sigma value = 293


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

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Energy: 1.4110332964922956
Energy: 1.494866033295713
Energy: 1.4041210210713562
Energy: 1.3919979288251736
Energy: 1.426986018885465
Energy: 1.5705360404350526
Energy: 1.4110332964894743
Energy: 1.4948660332965191
Energy: 1.4041210210713562
Energy: 1.3919979288215465
Energy: 1.6020874515409886
Energy: 1.5002371844648994
Energy: 1.4273729996894629
Energy: 1.8918921356672254
Energy: 1.430588915611313
Energy: 1.516846369541634
Energy: 1.6020874515401824
Energy: 1.50023718448223
Energy: 1.427372999689866
Energy: 1.8918921356668226
Energy: 1.4183067509620257
Energy: 1.575257007378287
Energy: 1.4267063341515402
Energy: 1.3918148850067877
Energy: 1.4041178902877571
Energy: 1.5004141182611366
Energy: 1.4183067509616225
Energy: 1.575257007379093
Energy: 1.4267063341495254
Energy: 1.3918148850055787
Energy: 1.4508726451084453
Energy: 1.3634244483820572
Energy: 1.4614750636380136
Energy: 1.4547985597820174
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Energy: 1.356441172332818
Energy: 1.4508726451080423
Energy: 1.3634244484005966
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Energy: 1.553349483914087
Energy: 1.4205301930785477
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Energy: 1.448080644090562
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Energy: 1.4966370070469013
Energy: 1.5533494839144897
Energy: 1.3893808750465637
Energy: 1.500604646010013
Energy: 1.4791940230869463
Energy: 1.442136494032179
Energy: 1.5969780162930562
Energy: 1.3608383405718723
Energy: 1.3893808750453545
Energy: 1.5006046460096099
Energy: 1.4791940230869463
Energy: 1.442136494032179
Energy: 1.3666195113587547
Energy: 1.4398986987393978
Energy: 1.4506817732544806
Energy: 1.495044404631002
Energy: 1.4318210256049613
Energy: 1.4651129055935888
Energy: 1.3666195113583515
Energy: 1.439898698733792
Energy: 1.4506817732544806
Energy: 1.4950444046511535
Energy: 1.4554710070438008
Energy: 1.4167521190404095
Energy: 1.4716421786192107
Energy: 1.5193627585930034
Energy: 1.3670198054212501
Energy: 1.4462103141971239
Energy: 1.4554710070438008
Energy: 1.4167521190428276
Energy: 1.4716421786192107
Energy: 1.518052287723433
Energy: 1.4550034991547889
Energy: 1.4219384899719143
Energy: 1.4219751526536788
Energy: 1.438004862650895
Energy: 1.363375352656847
Energy: 1.3890199116784996
Energy: 1.4550034991547889
Energy: 1.4219384899719143
Energy: 1.4219751526536788
Energy: 1.438004862651701
Energy: 1.6003691593865474
Energy: 1.485518641048655
Energy: 1.4181681406652487
Energy: 1.4549953884895817
Energy: 1.4292996980824995
Energy: 1.3690836675781262
Energy: 1.6003691796933492
Energy: 1.4855186410482517
Energy: 1.4181681407973707
Energy: 1.454995388490388
Energy: 1.5056431535490082
Energy: 1.4504342545170859
Energy: 1.4183760156223557
Energy: 1.3665753925785256
Energy: 1.4558159372630577
Energy: 1.4764429937934975
Energy: 1.5056431535526356
Energy: 1.4504342545174889
Energy: 1.418376015625177
Energy: 1.3665753925793318
Energy: 1.3774781779388057
Energy: 1.4852398709313623
Energy: 1.500604646010416
Energy: 1.372002234912244
Energy: 1.361643706664562
Energy: 1.5969780162930562
Energy: 1.377478177912242
Energy: 1.4852398709321684
Energy: 1.500604646010013
Energy: 1.3720022349037801
Energy: 1.5533222479919528
Energy: 1.503652643207291
Energy: 1.3679539140908645
Energy: 1.466947675188851
Energy: 1.4667348383089254
Energy: 1.4212853846992304
Energy: 1.5533222479919528
Energy: 1.5036526432080972
Energy: 1.3679539121922004
Energy: 1.466947669882814

minimum gb energy = 1.356407943436851 eV
minimum distance =  2.21863793240468 Angstroms
sigma value = 293


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

Energy: 1.1601149263992414
Energy: 1.2385631746859518
Energy: 1.2632773284582057
Energy: 1.6480965158127856
Energy: 1.2639301376240384
Energy: 1.2446826090819323
Energy: 1.16011492639997
Energy: 1.2385631746932364
Energy: 1.2632773284582057
Energy: 1.6480965158135144
Energy: 1.2426846907044744
Energy: 1.5538384847350628
Energy: 1.25641181940864
Energy: 1.2495137989802803
Energy: 1.7378578134307443
Energy: 1.2687873508768737
Energy: 1.2426846907030176
Energy: 1.5538384847357911
Energy: 1.25641181940864
Energy: 1.2495137989802803
Energy: 1.23161609953561
Energy: 1.1584752103610132
Energy: 1.7054355660341614
Energy: 1.2502230893086272
Energy: 1.2711374974848861
Energy: 1.212170701388447
Energy: 1.2316160995363385
Energy: 1.158475210360285
Energy: 1.7054355660341614
Energy: 1.2502230893086272
Energy: 1.6997771152227696
Energy: 1.1614295793464444
Energy: 1.230674824490885
Energy: 1.2121664865690047
Energy: 1.2831639070430878
Energy: 1.2384746089618865
Energy: 1.6997771152234982
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Energy: 1.2121664865690047
Energy: 1.2044803710872716
Energy: 1.69705370231514
Energy: 1.2388970395659762
Energy: 1.263801308736995
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Energy: 1.2446826090833891
Energy: 1.1601149263992414
Energy: 1.2385631746787007
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Energy: 1.6741754789222658
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Energy: 1.2446826090819323
Energy: 1.16011492639997
Energy: 1.2385631746655887
Energy: 1.7378578134307443
Energy: 1.2687873508717746
Energy: 1.2426846907022888
Energy: 1.5538384847357911
Energy: 1.2564118194079115
Energy: 1.249513798981737
Energy: 1.7378578134307443
Energy: 1.2687873508768737
Energy: 1.2426846907022888
Energy: 1.5538384847357911
Energy: 1.2711374974885283
Energy: 1.212170701388447
Energy: 1.23161609953561
Energy: 1.1584752103610132
Energy: 1.7054355660341614
Energy: 1.2502230893086272
Energy: 1.2711374974790588
Energy: 1.212170701388447
Energy: 1.2316160995363385
Energy: 1.158475210360285
Energy: 1.2831639114904334
Energy: 1.2384746089618865
Energy: 1.6997771152227696
Energy: 1.161429579347173
Energy: 1.230674824490885
Energy: 1.2121664865690047
Energy: 1.2831639088349924
Energy: 1.2384746089633434
Energy: 1.6997771152234982
Energy: 1.1614295793464444
Energy: 1.7271457533102574
Energy: 1.6057078486013447
Energy: 1.2044803696768727
Energy: 1.8846147842357603
Energy: 1.238897039567433
Energy: 1.2638013087406375
Energy: 1.7271457533102574
Energy: 1.6057078486654477
Energy: 1.2044803711426002
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Energy: 1.2632773284582057
Energy: 1.622407964267275
Energy: 1.2639301376240384
Energy: 1.2446826090841177
Energy: 1.1601149263992414
Energy: 1.2385631746517483
Energy: 1.2632773284582057
Energy: 1.6224079642680036
Energy: 1.2639301376240384
Energy: 1.2446826090833891
Energy: 1.25641181940864
Energy: 1.249513798979552
Energy: 1.7378578134307443
Energy: 1.2687873508783307
Energy: 1.242684690700832
Energy: 1.5538384847357911
Energy: 1.25641181940864
Energy: 1.249513798981737
Energy: 1.7378578134307443
Energy: 1.2687873508746885
Energy: 1.7054355660341614
Energy: 1.2502230893086272
Energy: 1.2711374975147522
Energy: 1.212170701388447
Energy: 1.23161609953561
Energy: 1.158475210360285
Energy: 1.7054355660341614
Energy: 1.2502230893086272
Energy: 1.2711374975249508
Energy: 1.212170701388447
Energy: 1.2306748244916135
Energy: 1.2121664865690047
Energy: 1.2831639161948203
Energy: 1.2384746089633434
Energy: 1.6997771152227696
Energy: 1.1614295793464444
Energy: 1.230674824490885
Energy: 1.2121664865690047
Energy: 1.283163916282929
Energy: 1.2384746089633434
Energy: 1.2388970395667045
Energy: 1.2638013087406375
Energy: 1.727145753309529
Energy: 1.563544235413175
Energy: 1.2044803703744236
Energy: 1.9618916004805083
Energy: 1.2388970395667045
Energy: 1.2638013087391806
Energy: 1.7271457533102574
Energy: 1.563544235413175
Energy: 1.16011492639997
Energy: 1.2385631746451924
Energy: 1.2632773284596626
Energy: 1.534049702745748
Energy: 1.263930137624767
Energy: 1.2446826090841177
Energy: 1.1601149263992414
Energy: 1.2385631746430068
Energy: 1.2632773284596626
Energy: 1.5340497027450195
Energy: 1.2426846906971898
Energy: 1.5538384847357911
Energy: 1.2564118194079115
Energy: 1.249513798981737
Energy: 1.737857813430016
Energy: 1.2687873508783307
Energy: 1.2426846906971898
Energy: 1.5538384847357911
Energy: 1.2564118194079115
Energy: 1.249513798981737
Energy: 1.23161609953561
Energy: 1.1584752103595561
Energy: 1.7054355660341614
Energy: 1.2502230893086272
Energy: 1.2711374975198515
Energy: 1.212170701388447
Energy: 1.2316160995363385
Energy: 1.158475210360285
Energy: 1.7054355660341614
Energy: 1.2502230893093556
Energy: 1.6997771152234982
Energy: 1.1614295793457161
Energy: 1.2306748244901897
Energy: 1.2121664865690047
Energy: 1.2831639231884069
Energy: 1.2384746089611582
Energy: 1.6997771152234982
Energy: 1.1614295793457161
Energy: 1.2306748244901897
Energy: 1.2121664865690047
Energy: 1.204480371433845
Energy: 1.9618916004805083
Energy: 1.238897039567433
Energy: 1.2638013087391806
Energy: 1.727145753309529
Energy: 1.5635442354146318
Energy: 1.2044803714396726
Energy: 1.9618916004805083
Energy: 1.2388970395681616
Energy: 1.263801308738452
Energy: 1.263930137624767
Energy: 1.2446826090855745
Energy: 1.16011492639997
Energy: 1.238563174633537
Energy: 1.2632773284596626
Energy: 1.5340497027464763
Energy: 1.263930137624767
Energy: 1.244682609086303
Energy: 1.1601149263992414
Energy: 1.2385631746211536
Energy: 1.7378578134307443
Energy: 1.2687873508797876
Energy: 1.2426846906942761
Energy: 1.5538384847357911
Energy: 1.2564118194079115
Energy: 1.2495137989802803
Energy: 1.7378578134307443
Energy: 1.2687873508761451
Energy: 1.2426846906950044
Energy: 1.5538384847350628

minimum gb energy = 1.1584752103595561 eV
minimum distance =  2.26151526691332 Angstroms
sigma value = 15


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

Energy: 1.6045275614490284
Energy: 1.4088188688944616
Energy: 1.3556808397256626
Energy: 1.7803272860588348
Energy: 1.3543441422947637
Energy: 1.3758595624182153
Energy: 1.6045275614249537
Energy: 1.4088188686822314
Energy: 1.3556808397276436
Energy: 1.7803272860575141
Energy: 1.452765961295187
Energy: 1.3940290253635672
Energy: 1.3591824165027997
Energy: 1.3537677478060903
Energy: 1.352585833831883
Energy: 1.3354757722631407
Energy: 1.452765961312688
Energy: 1.3940290252988776
Energy: 1.3591824165024695
Energy: 1.3537677478051
Energy: 1.4168288335364871
Energy: 1.323935367030216
Energy: 1.5501013543118476
Energy: 1.3611844895246366
Energy: 1.3671192316475027
Energy: 1.6047203620754789
Energy: 1.41682883354078
Energy: 1.3239353670315372
Energy: 1.5501013543131685
Energy: 1.361184489523646
Energy: 1.4454582971188947
Energy: 1.323716684421843
Energy: 1.3998882287420253
Energy: 1.4330246273432279
Energy: 1.4326897445518676
Energy: 1.322508878341923
Energy: 1.4454582971165832
Energy: 1.3237166844158994
Energy: 1.3998882287420253
Energy: 1.433024627341247
Energy: 1.3428350165558263
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Energy: 1.31324086276697
Energy: 1.4254072223331813
Energy: 1.3683538299597617
Energy: 1.3195136714298452
Energy: 1.342835016560119
Energy: 1.5390419207414234
Energy: 1.313240862764989
Energy: 1.4254072223351621
Energy: 1.3406883000060574
Energy: 1.4640713076937497
Energy: 1.5282996091841161
Energy: 1.3580081388994134
Energy: 1.356683671722387
Energy: 1.5492347416237666
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Energy: 1.5282996091860972
Energy: 1.3580081387918277
Energy: 1.4434365564488734
Energy: 1.3330749426301773
Energy: 1.3461519916497662
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Energy: 1.364968328679715
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Energy: 1.3461519916688878
Energy: 1.3900584543813603
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Energy: 1.3594045218877302
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Energy: 1.6154509595451731
Energy: 1.355753128538447
Energy: 1.4549611151291713
Energy: 1.3270902401834215
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Energy: 1.374148513402573
Energy: 1.3503533383525526
Energy: 1.4148018268810083
Energy: 1.476928044207403
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Energy: 1.3338396071403162
Energy: 1.3195387612909932
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Energy: 1.4769280442090538
Energy: 1.3448015638521928
Energy: 1.4985634275299773
Energy: 1.3581733671078204
Energy: 1.32974055907481
Energy: 1.508766303953064
Energy: 1.3445802433271
Energy: 1.3832709440689706
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Energy: 1.5087663039504222
Energy: 1.3336182892024784
Energy: 1.45925624341572
Energy: 1.327906608567682
Energy: 1.508499989708886
Energy: 1.4123168147881715
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Energy: 1.4592568838579754
Energy: 1.3279066078445092
Energy: 1.5084999897072349
Energy: 1.3346263212065306
Energy: 1.3493916879868821
Energy: 1.5600960854941521
Energy: 1.3198203231092183
Energy: 1.425708384321322
Energy: 1.3665608861425416
Energy: 1.3346263208309104
Energy: 1.3493916873954
Energy: 1.5600960854944823
Energy: 1.3198203231082277
Energy: 1.4647242162205152
Energy: 1.3471263590732336
Energy: 1.5041874886623154
Energy: 1.335328244172004
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Energy: 1.3577848761330253
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Energy: 1.3471263590742244
Energy: 1.5041874886633062
Energy: 1.3353282447304358
Energy: 1.3898105641534628
Energy: 1.5358960208693238
Energy: 1.320177230874448
Energy: 1.3691864955811925
Energy: 1.391251565863658
Energy: 1.364312517249922
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Energy: 1.3691856076546391
Energy: 1.3514595510172742
Energy: 1.5560528490027934
Energy: 1.6725894776485355
Energy: 1.356136358208191
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Energy: 1.4072661432250768
Energy: 1.3514595510172742
Energy: 1.5560528490047747
Energy: 1.6725894776468844
Energy: 1.3561363582078607
Energy: 1.3105899688118394
Energy: 1.357096520981307
Energy: 1.440821796620744
Energy: 1.4177901959087085
Energy: 1.3440712153316903
Energy: 1.3906055866762739
Energy: 1.3105899688131604
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Energy: 1.4408217966204135
Energy: 1.4177901959169334
Energy: 1.3820349254754338
Energy: 1.3885256365576752
Energy: 1.3338768814377042
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Energy: 1.415345541340391
Energy: 1.348639551271862
Energy: 1.4011720224426194
Energy: 1.3808075775954778
Energy: 1.3377047264501165
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Energy: 1.3808075775944872
Energy: 1.3377047264514372
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Energy: 1.323350907296787
Energy: 1.3357649919001433
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Energy: 1.3489325149551514
Energy: 1.3641703676592156
Energy: 1.3233509072961267
Energy: 1.3357649919001433
Energy: 1.4826035297393614
Energy: 1.3366483228754271
Energy: 1.4220291651904164
Energy: 1.4928351109828708
Energy: 1.4428503753709228
Energy: 1.331283496534675
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Energy: 1.4220291651897563
Energy: 1.4928351109828708
Energy: 1.3662323186951952
Energy: 1.4383054578590968
Energy: 1.4105669622936452
Energy: 1.337939212380829
Energy: 1.4743181830917953
Energy: 1.3331782798692253
Energy: 1.380171693757689
Energy: 1.4383054578567853
Energy: 1.4105669622936452
Energy: 1.3379392123798384
Energy: 1.3123302994439474
Energy: 1.3733482974708056
Energy: 1.36943915150108
Energy: 1.3456222207409074
Energy: 1.335585290809399
Energy: 1.5056921520142534
Energy: 1.312330299444938
Energy: 1.3733482974701452
Energy: 1.3694391515004196
Energy: 1.3456222207425586
Energy: 1.7040564535872922
Energy: 1.3350749653421292
Energy: 1.3660633574054668
Energy: 1.654174490301787
Energy: 1.3371206192741303
Energy: 1.4154895914148977
Energy: 1.7040564535859715
Energy: 1.335074965364553
Energy: 1.366063357405797
Energy: 1.654174490301787
Energy: 1.3195770303812573
Energy: 1.4773517606396716
Energy: 1.3620572404947555
Energy: 1.3492651522836807
Energy: 1.4648423952823877
Energy: 1.4099059378292058
Energy: 1.3195771295009155
Energy: 1.47735176063769
Energy: 1.3620572404944253
Energy: 1.349265152284341
Energy: 1.411587871453391
Energy: 1.34387691818855
Energy: 1.617128700032084
Energy: 1.3481774803810933
Energy: 1.3232536247341304
Energy: 1.5622009378474924
Energy: 1.4115878714543815
Energy: 1.3438769182139754
Energy: 1.61712870000897
Energy: 1.3481774803807631
Energy: 1.5437343135902255
Energy: 1.3487652846254339
Energy: 1.3404648158417984
Energy: 1.3046375719452734
Energy: 1.3596466084862662
Energy: 1.388027160104868
Energy: 1.5437343126818994
Energy: 1.3487652846244433
Energy: 1.3404648158401473
Energy: 1.304637571944613
Energy: 1.3384281723516531
Energy: 1.486170661641574
Energy: 1.3568533244854157
Energy: 1.3960431942171558
Energy: 1.514636907790615
Energy: 1.4013748421298502
Energy: 1.3384281723506628
Energy: 1.4861706616395927
Energy: 1.3568533244850856
Energy: 1.396043194218807
Energy: 1.339024825854519
Energy: 1.463032861631619
Energy: 1.478277997931938
Energy: 1.3829517054208562
Energy: 1.3376262121522444
Energy: 1.4404814130225836
Energy: 1.339026344180076
Energy: 1.4630328616326096
Energy: 1.4782779979322684
Energy: 1.3829517054165636
Energy: 1.5949404794012145
Energy: 1.3143726619333103
Energy: 1.4040031688979295
Energy: 1.311742546689603
Energy: 1.4436513773217476
Energy: 1.3484678590727788
Energy: 1.594940479400224
Energy: 1.314372661934631
Energy: 1.404003168896939
Energy: 1.3117425466905939
Energy: 1.4672162620058569
Energy: 1.46323734136955
Energy: 1.3452528046186045
Energy: 1.3950594427181506
Energy: 1.451342068221074
Energy: 1.3499350420593068
Energy: 1.46721626201081
Energy: 1.4632370583597236
Energy: 1.3452528046215764
Energy: 1.3950594427198018
Energy: 1.3237531558372555
Energy: 1.3735913961177166
Energy: 1.4740365926855608
Energy: 1.3659597201117024
Energy: 1.3635084575922463
Energy: 1.481982030724466
Energy: 1.323753155838246
Energy: 1.373591393311568
Energy: 1.4740365926835794
Energy: 1.3659597201113722
Energy: 1.3341298302622286
Energy: 1.3715950205119682
Energy: 1.3454951661405543
Energy: 1.559995652267881
Energy: 1.3542918658593828
Energy: 1.5243307766578107
Energy: 1.3348319180914372
Energy: 1.3715950205113079
Energy: 1.345495166141875
Energy: 1.5599956522668905
Energy: 1.3727394452064463
Energy: 1.49434710803349
Energy: 1.343824553593973
Energy: 1.343140458942587
Energy: 1.3638112679953913
Energy: 1.3874215065020505
Energy: 1.3727394452067765
Energy: 1.4943471080344806
Energy: 1.3438245535933124
Energy: 1.3431404589419267
Energy: 1.336093659321231
Energy: 1.3288932319147644
Energy: 1.489866317094436
Energy: 1.3434216028102979
Energy: 1.581132337631501
Energy: 1.4287341211593847
Energy: 1.3360936593192498
Energy: 1.328892920670965
Energy: 1.489866317091494
Energy: 1.3434216028116184
Energy: 1.570126024169037
Energy: 1.3252289258236818
Energy: 1.5630277610630119
Energy: 1.4452309004326516
Energy: 1.3644538484071183
Energy: 1.348851999051925
Energy: 1.5701260241687065
Energy: 1.3252289304134328
Energy: 1.5630277610623815
Energy: 1.4452309004352932
Energy: 1.3557045015049853
Energy: 1.5307872612885056
Energy: 1.3210269582103127
Energy: 1.3864572640984407
Energy: 1.3148625254986341
Energy: 1.4277442941557312
Energy: 1.3557045013607467
Energy: 1.5307872809604839
Energy: 1.321026975638237
Energy: 1.386457264094808
Energy: 1.34834378732591
Energy: 1.494155585894492
Energy: 1.3305691945337943
Energy: 1.3412841805145128
Energy: 1.405322165970991
Energy: 1.4523528146112816
Energy: 1.3483437873265705
Energy: 1.494155585894492
Energy: 1.330569196326012
Energy: 1.3412841805161635
Energy: 1.3972851788963745
Energy: 1.3417603789876609
Energy: 1.4107281943453336
Energy: 1.4472846975183755
Energy: 1.3618953842765102
Energy: 1.360183537653453
Energy: 1.3972851788967047
Energy: 1.3417603789856796
Energy: 1.4107281943453336
Energy: 1.4472846975196962
Energy: 1.6598027246358895
Energy: 1.3467591461542687
Energy: 1.350985222824867
Energy: 1.3380273649506176
Energy: 1.5726262204720016
Energy: 1.3485730239720137
Energy: 1.65980272463688
Energy: 1.3467965942245483
Energy: 1.3509852228258579
Energy: 1.338027364958212
Energy: 1.3744202643637575
Energy: 1.3767176996105617
Energy: 1.4057593841910947
Energy: 1.328662468581632
Energy: 1.4833256567724733
Energy: 1.3548926620029846
Energy: 1.374420264363097
Energy: 1.3767176996122128
Energy: 1.4057593832649378
Energy: 1.3286625258931537
Energy: 1.411682838357173
Energy: 1.326832784213941
Energy: 1.3460013301266183
Energy: 1.5547278192958711
Energy: 1.3366166249939784
Energy: 1.5079561623331847
Energy: 1.411682838357503
Energy: 1.3268327839954368
Energy: 1.3460014061896048
Energy: 1.5547278193034655
Energy: 1.3045230227624733
Energy: 1.4136300614438422
Energy: 1.3214089569269278
Energy: 1.594646519911388
Energy: 1.3414804816407637
Energy: 1.4559760438740188
Energy: 1.304523022761813
Energy: 1.4136300614445028
Energy: 1.321408957062251
Energy: 1.594637901190912
Energy: 1.4349777115205424
Energy: 1.428022772653828
Energy: 1.469407141966648
Energy: 1.3083254275087335
Energy: 1.4505864987207067
Energy: 1.2931944092783583
Energy: 1.4349777115314395
Energy: 1.428022772652507
Energy: 1.4694071419659875
Energy: 1.308325427511705

minimum gb energy = 1.2931944092783583 eV
minimum distance =  2.28216348886428 Angstroms
sigma value = 437


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

Energy: 1.5345653355370699
Energy: 1.442848882406265
Energy: 1.2978271364207723
Energy: 1.6373614869241029
Energy: 1.2961592133946644
Energy: 1.2859808898161371
Energy: 1.534565335539476
Energy: 1.4428488825397419
Energy: 1.2978271364219753
Energy: 1.637361486921697
Energy: 1.2696924630705284
Energy: 1.7247452730168373
Energy: 1.286681315198191
Energy: 1.2827820594064814
Energy: 1.5269682925604562
Energy: 1.2842293867835328
Energy: 1.2696924630705284
Energy: 1.7247452730156345
Energy: 1.2866813151993939
Energy: 1.2827820594064814
Energy: 1.1613700696943006
Energy: 1.2555656973269786
Energy: 1.6391456362567018
Energy: 1.267626784279947
Energy: 1.6027215822208831
Energy: 1.4946820931801736
Energy: 1.1613700696930975
Energy: 1.2555656973269786
Energy: 1.6391456362579047
Energy: 1.2676267842811497
Energy: 1.5941300814999726
Energy: 1.2528807597043494
Energy: 1.2828775902334406
Energy: 1.2816310489363232
Energy: 1.307124521327721
Energy: 1.2833032704359502
Energy: 1.5941300814987696
Energy: 1.2528807597031464
Energy: 1.2828775902310348
Energy: 1.2816310489375258
Energy: 1.2698270310305355
Energy: 1.5633986043984143
Energy: 1.2880004196981791
Energy: 1.2342829264861033
Energy: 1.2765376456613582
Energy: 1.1606882879787337
Energy: 1.2698270310401047
Energy: 1.5633986043972112
Energy: 1.2880004196981791
Energy: 1.2342829264861033
Energy: 1.2851143030939802
Energy: 1.3059303621204503
Energy: 1.2761232030497003
Energy: 1.2329574659248423
Energy: 1.2825657569306486
Energy: 1.2346556807329399
Energy: 1.2851143030939802
Energy: 1.3059303621144354
Energy: 1.2761232030521064
Energy: 1.2329574659248423
Energy: 1.7250762600451197
Energy: 1.28493018447043
Energy: 1.3573029408372956
Energy: 1.2788491856981068
Energy: 1.2907589480249488
Energy: 1.260838127181851
Energy: 1.725076260046323
Energy: 1.2849301844692267
Energy: 1.3573029408360928
Energy: 1.2788491856981068
Energy: 1.3403173149823617
Energy: 1.365279591637008
Energy: 1.3286384272102962
Energy: 1.2816939126543867
Energy: 1.3959510004858757
Energy: 1.2546921369999964
Energy: 1.3403173149811585
Energy: 1.365279591639414
Energy: 1.3286384271706524
Energy: 1.2816939126555897
Energy: 1.2607100570785394
Energy: 1.2809749751492143
Energy: 1.6645659077256
Energy: 1.6301599721468472
Energy: 1.2924540278435614
Energy: 1.425550516393784
Energy: 1.2607100570785394
Energy: 1.2809749751492143
Energy: 1.664565907724397
Energy: 1.63015997214805
Energy: 1.3511235297624065
Energy: 1.2392241366622336
Energy: 1.2755589416566462
Energy: 1.1783296039973241
Energy: 1.2889701733880121
Energy: 1.6591897716281985
Energy: 1.351123529488235
Energy: 1.2392241366622336
Energy: 1.2755589416590523
Energy: 1.17832960399973
Energy: 1.5076632813438922
Energy: 1.2803574910380524
Energy: 1.29502495040272
Energy: 1.2933280765879618
Energy: 1.376193439634258
Energy: 1.2747956730807595
Energy: 1.5076632813438922
Energy: 1.2803574910368491
Energy: 1.295024950401517
Energy: 1.2933280765879618
Energy: 1.1579085924319374
Energy: 1.4190096293404153
Energy: 1.4737824167161746
Energy: 1.247860779880704
Energy: 1.4691777403649002
Energy: 1.379726294278273
Energy: 1.1579085924319374
Energy: 1.4190096293380094
Energy: 1.4737824579494048
Energy: 1.247860779880704
Energy: 1.4943622803317247
Energy: 1.2801840435494436
Energy: 1.3761934396330548
Energy: 1.2948567575266454
Energy: 1.2896215878605464
Energy: 1.2803711634136017
Energy: 1.4943622803305217
Energy: 1.2801840435494436
Energy: 1.3761934396318523
Energy: 1.2948567575266454
Energy: 1.279564610660384
Energy: 1.6850146226015157
Energy: 1.288397196707526
Energy: 1.1787154077659094
Energy: 1.274961282165695
Energy: 1.2372652272275177
Energy: 1.27956461107525
Energy: 1.6850146226027187
Energy: 1.288397196707526
Energy: 1.1787154077647064

minimum gb energy = 1.1579085924319374 eV
minimum distance =  2.28530053541704 Angstroms
sigma value = 33