Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
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=3.61105090379715
cohesive_energy=4.158489038127336
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: 0.01825789992576274
Energy: 0.5581605917094312
Energy: 0.5581605917094312
Energy: 0.018257899927211413
Energy: 0.5581605917094312
Energy: 0.5581605917094312
Energy: 0.01825789992576274
Energy: 0.5581605917094312
Energy: 0.5581605917094312
Energy: 0.01825789992576274
Energy: 0.5535456813325769
Energy: 0.022568375187821774
Energy: 0.5533081279743952
Energy: 0.553545681331128
Energy: 0.022568375187821774
Energy: 0.5533081279758438
Energy: 0.5535456813325769
Energy: 0.022568375187821774
Energy: 0.5533081279743952
Energy: 0.553545681331128
Energy: 1.187071099250795
Energy: 0.3324816484516633
Energy: 0.33248164845021466
Energy: 1.1870710856755007
Energy: 0.33248164845021466
Energy: 0.33248164845021466
Energy: 1.187072959772141
Energy: 1.0121675680804743
Energy: 0.33248164845021466
Energy: 1.1870711489037706
Energy: 0.5535456813325769
Energy: 0.5533081279758438
Energy: 0.022568375187821774
Energy: 0.5535456813340255
Energy: 0.5533081279743952
Energy: 0.022568375187821774
Energy: 0.5535456813325769
Energy: 0.5533081279743952
Energy: 0.022568375187821774
Energy: 0.5535456813340255
Energy: 0.01825789992431406
Energy: 0.5581605917094312
Energy: 0.5581605917079827
Energy: 0.01825789992576274
Energy: 0.5581605917094312
Energy: 0.5581605917094312
Energy: 0.01825789992576274
Energy: 0.5581605917108801
Energy: 0.5581605917094312
Energy: 0.01825789992431406
Energy: 0.5535456813340255
Energy: 0.022568375187821774
Energy: 0.5533081279743952
Energy: 0.5535456813340255
Energy: 0.022568375187821774
Energy: 0.5533081279743952
Energy: 0.5535456813325769
Energy: 0.022568375187821774
Energy: 0.5533081279743952
Energy: 0.5535456813340255
Energy: 1.1870711941431626
Energy: 0.33248164845021466
Energy: 0.33248164845021466
Energy: 1.1870710626836596
Energy: 0.33248164845021466
Energy: 0.332481648453112
Energy: 1.187071102174351
Energy: 1.012167568077577
Energy: 0.33248164845021466
Energy: 1.1870713513993043

minimum gb energy = 0.01825789992431406 eV
minimum distance =  2.30618134119108 Angstroms
sigma value = 3


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

Energy: 1.4628633293989757
Energy: 1.5478691262346267
Energy: 1.5482403696537408
Energy: 1.35086655692685
Energy: 1.5478691262353361
Energy: 1.548240369659741
Energy: 1.4628633293996856
Energy: 1.5478691262371427
Energy: 1.5482403696487728
Energy: 1.3508665569349794
Energy: 1.3446782850931436
Energy: 1.4117851163343276
Energy: 1.5079576680945113
Energy: 1.3446782851098542
Energy: 1.411785116346715
Energy: 1.5079576680905755
Energy: 1.3446782851112735
Energy: 1.4117851163329083
Energy: 1.507957668088124
Energy: 1.3446782850959826
Energy: 1.2572685350154047
Energy: 1.6294226282574027
Energy: 1.5080421502147359
Energy: 1.4476681450038515
Energy: 1.6294226282485635
Energy: 1.5080421487264255
Energy: 1.25726853500334
Energy: 1.6294226282542412
Energy: 1.5080421489183031
Energy: 1.4476681450010127
Energy: 1.5489715105171762
Energy: 1.5474996193331274
Energy: 1.1995503893496988
Energy: 1.5489715105133053
Energy: 1.5474996193348693
Energy: 1.199550389351828
Energy: 1.5489715105168536
Energy: 1.5474996193277724
Energy: 1.1995503893546668
Energy: 1.5489715105164665
Energy: 1.1517927287859153
Energy: 1.6260976245251035
Energy: 1.5216699137901666
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Energy: 1.6206183065191977
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Energy: 1.1517927287880445
Energy: 1.6260976245258134
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Energy: 1.1517927287841734
Energy: 1.548283753990013
Energy: 1.1994039989514405
Energy: 1.6089312455927807
Energy: 1.5482837539982068
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Energy: 1.4081851494890545
Energy: 1.5077857500065115
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Energy: 1.4082591904996506
Energy: 1.5077857500001242
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Energy: 1.5077857500075438
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Energy: 1.5478448057523981
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Energy: 1.547844805750269
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Energy: 1.5514205026252255
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Energy: 1.3986709311223526
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Energy: 1.3413473071575905
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Energy: 1.3413470818171853
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Energy: 1.3413472379930849
Energy: 1.4233374266722312
Energy: 1.4243283806022875
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Energy: 1.5485342145686554
Energy: 1.1996597832120535
Energy: 1.5474981433182555
Energy: 1.548534214557687
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Energy: 1.5485342145807202
Energy: 1.5085672561767502
Energy: 1.553998600408673
Energy: 1.4117753207090302
Energy: 1.5085672561700403
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Energy: 1.4116134700069523
Energy: 1.5085672561710728
Energy: 1.553998600410802
Energy: 1.4117753206849006
Energy: 1.508567256172492
Energy: 1.2707548611364299
Energy: 1.2769163457912944
Energy: 1.549742392340222
Energy: 1.2707548611346882
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Energy: 1.2707548611375268
Energy: 1.4549950570203207
Energy: 1.5481828492576155
Energy: 1.5479848217301149
Energy: 1.3499185221040642
Energy: 1.5481828492540668
Energy: 1.547984821725534
Energy: 1.454995057024579
Energy: 1.548182849255099
Energy: 1.547984821727986
Energy: 1.349918522108645
Energy: 1.5077263492247897
Energy: 1.4084452107089507
Energy: 1.507769100263354
Energy: 1.507726349215628
Energy: 1.4084452107035956
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Energy: 1.4084452107085634
Energy: 1.507769100251289
Energy: 1.5077263492124022
Energy: 1.5492370296043596
Energy: 1.548397928908024
Energy: 1.2002613080136246
Energy: 1.5492370296135858
Energy: 1.5483979288977012
Energy: 1.2002613080174955
Energy: 1.549237029617457
Energy: 1.5483979289101533
Energy: 1.2002613080220765
Energy: 1.5492370296110696
Energy: 1.5496200462781224
Energy: 1.3597740492586547
Energy: 1.1969717446615928
Energy: 1.549620046279929
Energy: 1.2020051810395485
Energy: 1.1969717446421082
Energy: 1.5496200462703158
Energy: 1.359774049262913
Energy: 1.1969717447009491
Energy: 1.5496200462795418
Energy: 1.1520102658584814
Energy: 1.625875873031462
Energy: 1.6272862943778559
Energy: 1.1520102658574491
Energy: 1.620515641523895
Energy: 1.6210854047178842
Energy: 1.15201026585532
Energy: 1.6258758730243648
Energy: 1.6272862943693391
Energy: 1.1520102658524813
Energy: 1.5478184568116695
Energy: 1.1995394893012261
Energy: 1.5475921937533028
Energy: 1.5478184567936044
Energy: 1.199539489296968
Energy: 1.547592193756851
Energy: 1.547818456799992
Energy: 1.199539489305097
Energy: 1.5475921937483346
Energy: 1.547818456805992
Energy: 1.405932043877258
Energy: 1.5071103598014461
Energy: 1.3426606039759816
Energy: 1.405932043879387
Energy: 1.5071103597989295
Energy: 1.3426606039603681
Energy: 1.4059320438871936
Energy: 1.5071103598074462
Energy: 1.3426606039678524
Energy: 1.405932043884742
Energy: 1.2704920178378853
Energy: 1.5070180775441637
Energy: 1.4016071546349413
Energy: 1.2704920178442727
Energy: 1.5070180775544866
Energy: 1.3966581032856544
Energy: 1.2704920178400143
Energy: 1.5070180775509383
Energy: 1.4016071546296507
Energy: 1.2704920178460792
Energy: 1.5017988978596493
Energy: 1.5478691262385622
Energy: 1.54824036965516
Energy: 1.5020994126368237
Energy: 1.5478691262346267
Energy: 1.5482403696647087
Energy: 1.5017988978606815
Energy: 1.547869126238175
Energy: 1.5482403696548377
Energy: 1.5020994125063027
Energy: 1.3446782850942405
Energy: 1.4117851163421342
Energy: 1.5079576680923819
Energy: 1.3446782851059185
Energy: 1.4117851163474249
Energy: 1.5079576680884463
Energy: 1.3446782851041765
Energy: 1.4117851163357469
Energy: 1.507957668085285
Energy: 1.34467828509566
Energy: 1.4445108790763264
Energy: 1.629422628252822
Energy: 1.508042155263753
Energy: 1.4428991122168031
Energy: 1.6294226282521123
Energy: 1.5080421478886537
Energy: 1.4445108790834231
Energy: 1.6294226282616608
Energy: 1.5080421472885035
Energy: 1.442899112217126
Energy: 1.5489715105090467
Energy: 1.547499619331708
Energy: 1.1995503893546668
Energy: 1.5489715105097566
Energy: 1.5474996193359016
Energy: 1.199550389351828
Energy: 1.5489715105118858
Energy: 1.54749961932674
Energy: 1.1995503893575057
Energy: 1.5489715105178858

minimum gb energy = 1.1517927287841734 eV
minimum distance =  2.38912949204239 Angstroms
sigma value = 75


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

Energy: 1.7411312797483731
Energy: 1.4362426193341185
Energy: 1.4363251639790302
Energy: 1.5285862658148
Energy: 1.436242619328924
Energy: 1.4363251639772985
Energy: 1.74113127974491
Energy: 1.4362426193341185
Energy: 1.4363251639772985
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Energy: 1.6372814717406945
Energy: 1.629037464199587
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Energy: 1.7912345415141047
Energy: 1.6358663753560834
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Energy: 1.7399029749829558
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Energy: 1.6569747187121007
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Energy: 1.6666075952942003
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Energy: 1.6569747187103687
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Energy: 1.4676485797097358
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Energy: 1.925750043244593
Energy: 1.4369904985145914
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Energy: 1.6020321640525907
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Energy: 1.7660396763709003
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Energy: 1.600923632625803
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Energy: 1.621663925604598
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Energy: 1.7609053717797616
Energy: 1.5875417194746249
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minimum gb energy = 1.4360701696856741 eV
minimum distance =  2.2464612857547 Angstroms
sigma value = 105


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

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Energy: 1.6111229355757304
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Energy: 1.643231285493566
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Energy: 1.611122935573777
Energy: 1.6488479717327513
Energy: 1.7436859977511658
Energy: 1.6194210164097487
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Energy: 1.6983417339844569
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Energy: 1.6464919407837544
Energy: 1.7431797788688022
Energy: 1.6031957890516182
Energy: 1.6893816725145092
Energy: 1.645870375507066
Energy: 1.603195789059432
Energy: 1.748644554663882
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Energy: 1.603195789061385
Energy: 1.6893816725145092
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Energy: 1.5503421474813919
Energy: 1.6417151188123584
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Energy: 1.5503421474774852
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Energy: 1.6769461884155497
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Energy: 1.7092799548293764
Energy: 1.733592839028034
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Energy: 1.7335928390260806
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Energy: 1.7092799548293764
Energy: 1.7335928390241273
Energy: 1.7328992791199231
Energy: 1.7088886856781134
Energy: 1.7675218892127922
Energy: 1.7076508368773018
Energy: 1.6174905261000363
Energy: 1.7675218892206057
Energy: 1.7076508368753838
Energy: 1.6174905261039432
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Energy: 1.7076508368792553
Energy: 1.6174905261058967
Energy: 1.7675218892166988
Energy: 1.776190158942351
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Energy: 1.5723672080202022
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Energy: 1.5723672080162954
Energy: 1.8448049708058627
Energy: 1.7337661288785864
Energy: 1.594586578864259
Energy: 1.8041140239151001
Energy: 1.6459434200625847
Energy: 1.6463171743271166
Energy: 1.641760137150505
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Energy: 1.6463081293589041
Energy: 1.6417601371466337
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Energy: 1.6417601371485515
Energy: 1.6459338669596397
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Energy: 1.754251035646966
Energy: 1.6181380657913154
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Energy: 1.6181380657913154
Energy: 1.6551760453307696
Energy: 1.5293026632468671
Energy: 1.5806677266713989
Energy: 1.6593653978109888
Energy: 1.5293026632468671
Energy: 1.5806677266753058
Energy: 1.6593653978051288
Energy: 1.5293026632488205
Energy: 1.5806677266694453
Energy: 1.6593653978070821
Energy: 1.5293026632527271
Energy: 1.7009384987464722
Energy: 1.6326930286173225
Energy: 1.701194046574477
Energy: 1.7009384987445186
Energy: 1.6003348546441754
Energy: 1.7110486226081787
Energy: 1.700938498750379
Energy: 1.6326930286212291
Energy: 1.6643298423303838
Energy: 1.700938498750379
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Energy: 1.630119690971824
Energy: 1.6124567618625183
Energy: 1.6812181235633001
Energy: 1.6301196909737774
Energy: 1.6124567618605647
Energy: 1.6812181235613468
Energy: 1.6301196909737774
Energy: 1.6124567618625183
Energy: 1.6812181235535333
Energy: 1.6096257031375112
Energy: 1.8011371253764887
Energy: 1.5702353979276409
Energy: 1.6096257031355579
Energy: 1.8011371253745352
Energy: 1.5702353979256876
Energy: 1.6096257031296977
Energy: 1.8011371253764887
Energy: 1.5702353979276409
Energy: 1.6096257031277443
Energy: 1.5427191969250853
Energy: 1.6462117142204413
Energy: 1.6468264751835175
Energy: 1.5427191969250853
Energy: 1.6462117142145813
Energy: 1.6468264751854707
Energy: 1.5427191969328635
Energy: 1.646211714218488
Energy: 1.6468264751874242
Energy: 1.542719196923132
Energy: 1.5505419728550498
Energy: 1.6066221354245882
Energy: 1.6580594942226066
Energy: 1.5505419728550498
Energy: 1.6065201121456647
Energy: 1.6580594942265134
Energy: 1.5505419728550498
Energy: 1.6066221354206813
Energy: 1.658059494220653
Energy: 1.5505419728570033
Energy: 1.821708277484238
Energy: 1.614971275885463
Energy: 1.6193259534232307
Energy: 1.8217082774920514
Energy: 1.6149750791708224
Energy: 1.6193259534271374
Energy: 1.8217082774920514
Energy: 1.614971275885463
Energy: 1.6193259534232307
Energy: 1.821708277490098
Energy: 1.6167437958472468
Energy: 1.6170876029314047
Energy: 1.7075321120962674
Energy: 1.616743795855025
Energy: 1.6170876029235912
Energy: 1.7075321120923608
Energy: 1.6167437958511535
Energy: 1.617087602921638
Energy: 1.707532112088454
Energy: 1.6167437958492001
Energy: 1.62682028483745
Energy: 1.7864748864731599
Energy: 1.6624478689337805
Energy: 1.6268202848433104
Energy: 1.7950930055063783
Energy: 1.6624478689298738
Energy: 1.6268202848354967
Energy: 1.7864748864712063
Energy: 1.6624478689240134
Energy: 1.6268202848296365
Energy: 1.777028152340342
Energy: 1.6578823777117697
Energy: 1.7468200185705796
Energy: 1.777028152340342
Energy: 1.6575597824905826
Energy: 1.7468200185705796
Energy: 1.7770281523442488
Energy: 1.657882377707863
Energy: 1.7468200185686615
Energy: 1.7770281523422953
Energy: 1.6437627548874734
Energy: 1.611109752313874
Energy: 1.6434197864399285
Energy: 1.6437627548835667
Energy: 1.6109136479149389
Energy: 1.6434197864399285
Energy: 1.6437627548933338
Energy: 1.6111097523158273
Energy: 1.643419786441882
Energy: 1.643762754889427

minimum gb energy = 1.529217640870138 eV
minimum distance =  2.34856037288519 Angstroms
sigma value = 165


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

Energy: 1.7846462845397517
Energy: 1.7182070022154656
Energy: 1.7205239309392395
Energy: 1.6751060756036968
Energy: 1.7182070022161362
Energy: 1.7205239309372278
Energy: 1.7846462845337163
Energy: 1.7182070022147953
Energy: 1.7205239309358868
Energy: 1.6751060756057088
Energy: 1.8187286468136385
Energy: 1.662565137614531
Energy: 1.824153424423525
Energy: 1.8187286468082735
Energy: 1.6625651376105075
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Energy: 1.8187286468096149
Energy: 1.662565137607825
Energy: 1.8241534244228539
Energy: 1.818728646817662
Energy: 1.7005264017770987
Energy: 1.7516915200165717
Energy: 1.700032453280638
Energy: 1.7005264017757575
Energy: 1.751691520012548
Energy: 1.6999583756652974
Energy: 1.7005264017777693
Energy: 1.7516915200159011
Energy: 1.700032453278626
Energy: 1.7005264017777693
Energy: 1.7651214604640992
Energy: 1.7640123748289769
Energy: 1.6633190523806392
Energy: 1.7651214604620873
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Energy: 1.6633190523833217
Energy: 1.765121460457393
Energy: 1.764012374824953
Energy: 1.6633190523853334
Energy: 1.7651214604620873
Energy: 1.8726693988627021
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Energy: 1.8726693739393325
Energy: 1.764628626005548
Energy: 1.6030879777740612
Energy: 1.8726693925175517
Energy: 1.7646286260048774
Energy: 1.6030879777686962
Energy: 1.8726693879434109
Energy: 1.66282477973516
Energy: 1.802100467730382
Energy: 1.7616331310785411
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Energy: 1.802100467727029
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Energy: 1.8021004677263583
Energy: 1.7616331310778706
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Energy: 1.7177414543398881
Energy: 1.7942320589122285
Energy: 1.7611389880163542
Energy: 1.717741454345253
Energy: 1.8144335271984664
Energy: 1.7169140282869273
Energy: 1.6641270551613436
Energy: 1.8144335272004781
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Energy: 1.814433527197796
Energy: 1.7169140282815625
Energy: 1.66412705515732
Energy: 1.814433527195784
Energy: 1.7183946112937099
Energy: 1.7615456588103975
Energy: 1.7943633725320978
Energy: 1.7183946112957216
Energy: 1.7615456588103975
Energy: 1.7939393384874385
Energy: 1.7183946112923687
Energy: 1.761545658811068
Energy: 1.794363372530086
Energy: 1.7183946112910273
Energy: 1.764778056137503
Energy: 1.762598762480176
Energy: 1.876893454464832
Energy: 1.6631652165591866
Energy: 1.762598762480176
Energy: 1.8768934544628202
Energy: 1.7647780561388442
Energy: 1.7625987624821877
Energy: 1.8768934544594669
Energy: 1.6631652165544926
Energy: 1.7339339308238282
Energy: 1.6031118768520716
Energy: 1.9347460788259248
Energy: 1.7724882424784194
Energy: 1.6031118768540833
Energy: 1.8884699904347446
Energy: 1.7339339308184636
Energy: 1.6031118768527421
Energy: 1.9347460788279367
Energy: 1.7724882424784194
Energy: 1.7688802336918699
Energy: 1.6721958807942459
Energy: 1.7615572992542652
Energy: 1.7688802336858345
Energy: 1.6721958807955872
Energy: 1.761557299256277
Energy: 1.7688802336865053
Energy: 1.6721958807962578
Energy: 1.7615572992556063
Energy: 1.7688802336905287
Energy: 1.7979738550773023
Energy: 1.699903775199476
Energy: 1.811293797194425
Energy: 1.7979738550752906
Energy: 1.699903775194843
Energy: 1.811293802124536
Energy: 1.7979738550806554
Energy: 1.699903775196123
Energy: 1.8112937884046727
Energy: 1.7979738550779727
Energy: 1.71930692013563
Energy: 1.7719167640193474
Energy: 1.6622682694748876
Energy: 1.7193069201376416
Energy: 1.7719167640159945
Energy: 1.6622682694735464
Energy: 1.7193069201342888
Energy: 1.7719167640193474
Energy: 1.6622682694782405
Energy: 1.7193069201376416
Energy: 1.6751060756043676
Energy: 1.718207002213454
Energy: 1.7205239309419222
Energy: 1.6751060756057088
Energy: 1.7182070022154656
Energy: 1.7205239309378986
Energy: 1.6751060756050384
Energy: 1.718207002213454
Energy: 1.7205239309378986
Energy: 1.6751060756036968

minimum gb energy = 1.6030879777686962 eV
minimum distance =  2.33172603889157 Angstroms
sigma value = 41


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

Energy: 1.5762326983781794
Energy: 1.6078915799308655
Energy: 1.6079121840749648
Energy: 1.5762326983989945
Energy: 1.6078915799360693
Energy: 1.607912184072363
Energy: 1.576232698385985
Energy: 1.6078915799334674
Energy: 1.6079121840749648
Energy: 1.5762326983781794
Energy: 1.5725284907821546
Energy: 1.3853358776881168
Energy: 1.6322656214984494
Energy: 1.5725284908601642
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Energy: 1.6322656215036533
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Energy: 1.3853358776881168
Energy: 1.6322656214984494
Energy: 1.5725284911098516
Energy: 1.4201083256185076
Energy: 1.3816618285836755
Energy: 1.4117457301559084
Energy: 1.4521834219381042
Energy: 1.3816618285992868
Energy: 1.4117457301533065
Energy: 1.420106612971183
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Energy: 1.4117457301559084
Energy: 1.4521834219276966
Energy: 1.4106508257081838
Energy: 1.4106046137621215
Energy: 1.384957671654499
Energy: 1.4106484267801265
Energy: 1.410604613962373
Energy: 1.384957671649295
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Energy: 1.4106046138583443
Energy: 1.384957671651897
Energy: 1.4106618931612145
Energy: 1.515412029092682
Energy: 1.7006027961778645
Energy: 1.3880203408219447
Energy: 1.515412029095284
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Energy: 1.3880203408219447
Energy: 1.515412029092682
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Energy: 1.3880203408245466
Energy: 1.515412029095284
Energy: 1.3810515066096025
Energy: 1.540045960980622
Energy: 1.5302166723150081
Energy: 1.3810515065913893
Energy: 1.5400354749387368
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Energy: 1.3810515066017968
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Energy: 1.53021667231761
Energy: 1.3810515065939915
Energy: 1.384793253710059
Energy: 1.3820598287191828
Energy: 1.6332183810356151
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Energy: 1.382059828716581
Energy: 1.6332183810460228
Energy: 1.384793253707457
Energy: 1.3820598287217847
Energy: 1.6332183810356151
Energy: 1.3847932537126608
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Energy: 1.5245910185943716
Energy: 1.5966056100792114
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Energy: 1.529548044195563
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Energy: 1.4194741839918361
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Energy: 1.5295480441929612
Energy: 1.4709914701199998
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Energy: 1.3824512509660372
Energy: 1.5947926245501522
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Energy: 1.3824512509608333
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Energy: 1.5145551020767707
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Energy: 1.5947926245501522
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Energy: 1.3841811824208106
Energy: 1.4211815516759334
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Energy: 1.3841811824182084
Energy: 1.382486906658017
Energy: 1.4122500522589228
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Energy: 1.382486906655415
Energy: 1.4122500224336316
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Energy: 1.5306497300736366
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Energy: 1.5797460614470542
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Energy: 1.6259310264483318
Energy: 1.3822965459986072
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Energy: 1.6259310264509337
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Energy: 1.3827911135361506
Energy: 1.4715837190529024
Energy: 1.4928446086795077
Energy: 1.3827911135387525
Energy: 1.4715837190737175
Energy: 1.4928431523351153
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Energy: 1.6119158846588248
Energy: 1.5294794597866437
Energy: 1.381853383690281
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Energy: 1.5874609740098333
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Energy: 1.6119158846614265
Energy: 1.566417528487914
Energy: 1.3818533836980866
Energy: 1.6119158846588248
Energy: 1.3824675809260314
Energy: 1.6274890895684497
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Energy: 1.4277273452249537
Energy: 1.6075653936527865
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Energy: 1.5774668050403489
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Energy: 1.6075653936527865
Energy: 1.577466805035145
Energy: 1.4277273452275556
Energy: 1.5905767911880289
Energy: 1.3854569350887664
Energy: 1.5325015958076729
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Energy: 1.3854569350887664
Energy: 1.5325015958076729
Energy: 1.590576791180223
Energy: 1.3854569350887664
Energy: 1.5325015958128767
Energy: 1.590576791185427
Energy: 1.3823002755668625
Energy: 1.4115670405735297
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Energy: 1.3823002755616587
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Energy: 1.4117911191289079
Energy: 1.3823002755668625
Energy: 1.4115670405709277
Energy: 1.411791119123704
Energy: 1.4161077381997638
Energy: 1.4211778349527628
Energy: 1.4198903270998482
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Energy: 1.4211867472788917
Energy: 1.4198903270894407
Energy: 1.385020364312535
Energy: 1.421173529362124
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Energy: 1.3850203643151369
Energy: 1.4211777807793118
Energy: 1.51537311575758
Energy: 1.8632441426577142
Energy: 1.3881011703666992
Energy: 1.515373115760182
Energy: 1.8632441426629183
Energy: 1.3881011703640973
Energy: 1.5153731157679877
Energy: 1.8632441426629183
Energy: 1.3881011703666992
Energy: 1.5153731157627839
Energy: 1.4183093681620582
Energy: 1.454340450834953
Energy: 1.5290205185605237
Energy: 1.4183093681828733
Energy: 1.4543747910282525
Energy: 1.5290205185657275
Energy: 1.418309368172466
Energy: 1.4543443696252538
Energy: 1.5290205185657275
Energy: 1.418309368172466
Energy: 1.596789393804438
Energy: 1.3815742514675584
Energy: 1.6340677101681813
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Energy: 1.385916751604451
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Energy: 1.5306682645824021
Energy: 1.5274642911651453
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Energy: 1.410711126621381
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Energy: 1.411783508819194
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Energy: 1.4117836151400707
Energy: 1.5180549866893498
Energy: 1.3814649936335346
Energy: 1.6322925854356858
Energy: 1.3878938556060234
Energy: 1.5717287165846818
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Energy: 1.3878938556060234
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Energy: 1.6322925854356858
Energy: 1.3878938556034217
Energy: 1.5714716885454538
Energy: 1.6322925854356858
Energy: 1.586743758579176
Energy: 1.6111892840290583
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Energy: 1.5867437585817779
Energy: 1.6111892840290583
Energy: 1.4219369916566118
Energy: 1.5867437585895834
Energy: 1.3846609204382578
Energy: 1.5005024436242103
Energy: 1.4119724285540376
Energy: 1.3846609204434617
Energy: 1.5005024439960921
Energy: 1.412076302579926
Energy: 1.3846609204382578
Energy: 1.5005024442171584
Energy: 1.412011494630623
Energy: 1.3846609204434617
Energy: 1.383229680554867
Energy: 1.4194470168613693
Energy: 1.4185032335531222
Energy: 1.383229680567876
Energy: 1.419447016871777
Energy: 1.418503233534909
Energy: 1.3832296805574686
Energy: 1.4194470168613693
Energy: 1.418503233300833
Energy: 1.3832296805600706
Energy: 1.4196964938695371
Energy: 1.3875398142418336
Energy: 1.4539162432298767
Energy: 1.419696493872139
Energy: 1.387539814239232
Energy: 1.4539162183069823
Energy: 1.419696493872139
Energy: 1.3875398142418336
Energy: 1.453912832790679
Energy: 1.4196964938695371
Energy: 1.6978341001418764
Energy: 1.3852173403840473
Energy: 1.4121238113435794
Energy: 1.697834100149682
Energy: 1.3852173403840473
Energy: 1.4121238113487833
Energy: 1.697834100144478
Energy: 1.3852173403814452
Energy: 1.4121238113383756
Energy: 1.6978341001522836
Energy: 1.656365192720204
Energy: 1.565891861640958
Energy: 1.3814996503161505
Energy: 1.6425001651252187
Energy: 1.6026906033733292
Energy: 1.3814996510807767
Energy: 1.6425001651174131
Energy: 1.586346689365685
Energy: 1.3814996504955868
Energy: 1.6425001651304225

minimum gb energy = 1.3810515065913893 eV
minimum distance =  2.25399770129705 Angstroms
sigma value = 185


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

Energy: 0.9308693067082048
Energy: 0.7634458094482206
Energy: 0.7627259544896394
Energy: 0.967025696016294
Energy: 0.7634458094460305
Energy: 0.7627259544912118
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Energy: 0.8301661027267693
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Energy: 0.7634458094460305
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Energy: 1.0494432611860351
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Energy: 0.8132950665783707
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Energy: 1.0233271969802327
Energy: 0.8135684306225444
Energy: 1.046474881031208
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Energy: 0.9668795359569066
Energy: 0.7664637948118082
Energy: 1.0464748810305904
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Energy: 0.9351792504933124
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Energy: 0.7669549411802339
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Energy: 1.0089541687939492
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Energy: 0.7613768782721636
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Energy: 0.7613768782699736
Energy: 0.982992361054517
Energy: 0.8132950665758998
Energy: 0.7613768782724444
Energy: 0.9672242636252624
Energy: 0.8132950665774722
Energy: 1.0172540658965965
Energy: 1.0111446403841395
Energy: 0.9812239530651375
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Energy: 1.0116707798977895
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Energy: 1.0172540658990674
Energy: 1.011144640381388
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Energy: 1.0683012421204054
Energy: 1.0233271969789974
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Energy: 0.9535061102862312
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Energy: 0.8135684306241168
Energy: 1.0682992002199672
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Energy: 1.0464748810330613
Energy: 1.1526815288119847
Energy: 0.7664637948136613
Energy: 1.0464748810358127
Energy: 1.2623388486762843
Energy: 0.7664637948124259
Energy: 1.0464748810358127
Energy: 1.1526815286949554
Energy: 0.7664637948108535
Energy: 1.046474881037666
Energy: 0.956574062803116
Energy: 1.1452643293328948
Energy: 0.7647868461147075
Energy: 0.9564415652321334
Energy: 1.148608202448664
Energy: 0.7647868461162799
Energy: 0.9565740628092932
Energy: 1.1452643280122163
Energy: 0.7647868461177961
Energy: 0.9564415652367382
Energy: 1.1470652612062116
Energy: 1.1396041921469602
Energy: 0.7622021619384087
Energy: 1.1507475254654518
Energy: 1.1349695298065101
Energy: 0.7622021619384087
Energy: 1.1470652612015504
Energy: 1.139604192147578
Energy: 0.7622021619294238
Energy: 1.150747525459612
Energy: 1.188243448959023
Energy: 1.026543194719639
Energy: 0.7629364074413044
Energy: 1.2440619659532623
Energy: 1.02654319472211
Energy: 0.7629364074434384
Energy: 1.1882434489587426
Energy: 1.0265431947202566
Energy: 0.762936407440069
Energy: 1.2440619659479837

minimum gb energy = 0.7613768782656496 eV
minimum distance =  2.26924599975885 Angstroms
sigma value = 33


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

Energy: 1.3636788531529633
Energy: 1.4041498483005939
Energy: 1.404082375183632
Energy: 1.3526481157145946
Energy: 1.4041498483056805
Energy: 1.404082375183632
Energy: 1.363678853161441
Energy: 1.4041498483039845
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Energy: 1.3526481157162902
Energy: 1.3998013144485553
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Energy: 1.399801314445164
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Energy: 1.3804881014531627
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Energy: 1.4243946310312317
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Energy: 1.380488101444685
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Energy: 1.3804881014565538
Energy: 1.3277743954060834
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Energy: 1.327774395404388
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Energy: 1.3905173163650066
Energy: 1.3864038123725695
Energy: 1.3805137932729195
Energy: 1.3905173163616156
Energy: 1.386403812377656
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Energy: 1.4094276448018308
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Energy: 1.4094276447984395
Energy: 1.4053572733195623
Energy: 1.3123942232085792
Energy: 1.4094276447950485
Energy: 1.4053572733229531
Energy: 1.3955027338818178
Energy: 1.387407216774108
Energy: 1.3806937513368396
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Energy: 1.387407216784281
Energy: 1.380693751331753
Energy: 1.3955027338801225
Energy: 1.3874072167774991
Energy: 1.3806937513368396
Energy: 1.3955027338801225
Energy: 1.4096065567062643
Energy: 1.4303017780271916
Energy: 1.3245412719288978
Energy: 1.4096065566994824
Energy: 1.4303017780271916
Energy: 1.3245412719221155
Energy: 1.409606556704569
Energy: 1.4303017780373648
Energy: 1.3245412719221155
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Energy: 1.3809918848271334
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Energy: 1.3809918848339158
Energy: 1.3264987174670957
Energy: 1.3926206145913995
Energy: 1.3809918848288292
Energy: 1.3261279826281622
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Energy: 1.355347818148581
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Energy: 1.3738153161821707
Energy: 1.3553478181468854
Energy: 1.3261279826264667
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Energy: 1.3553478181536676
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Energy: 1.3715313171403378
Energy: 1.3982401963728952
Energy: 1.3951909259249398
Energy: 1.3715313171403378
Energy: 1.3982401963711997
Energy: 1.3951909259283306
Energy: 1.371531317143729
Energy: 1.3982401963728952
Energy: 1.395190925926635
Energy: 1.409098234916524
Energy: 1.406726504902764
Energy: 1.4016039338010091
Energy: 1.4090982349216106
Energy: 1.406726504899373
Energy: 1.401603933797618
Energy: 1.409098234913133
Energy: 1.406726504902764
Energy: 1.401603933794227
Energy: 1.409098234916524
Energy: 1.4023745255803186
Energy: 1.395485822320745
Energy: 1.4061714685456488
Energy: 1.4023745255871007
Energy: 1.3954858223292228
Energy: 1.406171468543953
Energy: 1.4023745255837095
Energy: 1.3954858223275268
Energy: 1.406171468537171
Energy: 1.402374525588796
Energy: 1.33298712897228
Energy: 1.3504703120491197
Energy: 1.3657044408634667
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Energy: 1.3504703120491197
Energy: 1.3657044408753356
Energy: 1.3329871289638024
Energy: 1.3504703120508152
Energy: 1.3657044408634667
Energy: 1.3329871289671935

minimum gb energy = 1.3123942232017969 eV
minimum distance =  2.29005761606672 Angstroms
sigma value = 219


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

Energy: 1.8288718374303703
Energy: 1.9465913847578957
Energy: 1.94663051335756
Energy: 1.828871837429248
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Energy: 1.8356057586457697
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Energy: 1.835605758644648
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Energy: 1.8395404048831974
Energy: 1.835605758644648
Energy: 1.9508026685159996
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Energy: 1.8437994026739326
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Energy: 1.8263740375704718
Energy: 1.8437994026716882
Energy: 1.8258584253484473
Energy: 1.8795243668485584
Energy: 1.8357036461511875
Energy: 1.8258079465827057
Energy: 1.8795243668496806
Energy: 1.8357036461523095
Energy: 1.8258040472362458
Energy: 1.8795243668485584
Energy: 1.8357036461511875
Energy: 1.8258142215243836
Energy: 1.8258262957079334
Energy: 1.9437776046908386
Energy: 1.9508218964169524
Energy: 1.8258262957090554
Energy: 1.943777604693083
Energy: 1.9508218964180746
Energy: 1.8258262957023226
Energy: 1.9437776046908386
Energy: 1.9508218964180746
Energy: 1.825826295705689
Energy: 1.8931362120925719
Energy: 1.891492100861415
Energy: 1.955176130311687
Energy: 1.8931362120948163
Energy: 1.891492100861415
Energy: 1.955176130311687
Energy: 1.8931362120925719
Energy: 1.8914921008602927
Energy: 1.955176130311687
Energy: 1.8931362120948163

minimum gb energy = 1.8258040472362458 eV
minimum distance =  2.30555828567145 Angstroms
sigma value = 15


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

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Energy: 2.1069719929735395
Energy: 2.1073287567888563
Energy: 2.160833720428625
Energy: 2.1069719929859567
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Energy: 2.070885017587992
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Energy: 2.129474040030841
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Energy: 2.1071662509081737
Energy: 2.0752029072793206
Energy: 2.1108134092620126
Energy: 2.1071662508874787
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Energy: 2.1108134092537343
Energy: 2.1071662508978637
Energy: 2.0752029072834595
Energy: 2.1108134092599053
Energy: 2.107166250918484
Energy: 2.1114553128141766
Energy: 2.1548294957891105
Energy: 2.092326619304833
Energy: 2.111455312818316
Energy: 2.1548294958015277
Energy: 2.0923174238243916
Energy: 2.1114553128162084
Energy: 2.15482949579942
Energy: 2.092326619306865
Energy: 2.1114553128079305
Energy: 2.148367089682507
Energy: 2.071059970377873
Energy: 2.1449894189070027
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minimum gb energy = 2.0685425612276385 eV
minimum distance =  2.29002046486785 Angstroms
sigma value = 293


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

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Energy: 2.0655311603017568
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Energy: 2.1799720875171635
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Energy: 2.1799720875171635
Energy: 2.063771420036064
Energy: 2.1263680831831167
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Energy: 2.179986768233955
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Energy: 2.063759340351909
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Energy: 2.1263834215025663
Energy: 2.063759340352646
Energy: 2.179986768233955
Energy: 2.126383421503811
Energy: 2.063759340351125
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Energy: 2.0951293780508626
Energy: 2.2272399433193755
Energy: 2.0654933715735324
Energy: 2.095129378052153
Energy: 2.227239943320389
Energy: 2.065493371576574
Energy: 2.095129378051139
Energy: 2.2272399433216794
Energy: 2.0654933715740396
Energy: 2.2156426690399798
Energy: 2.1110535756161846
Energy: 2.072358756655296
Energy: 2.215642669040717
Energy: 2.1110535756151703
Energy: 2.0723587566580615
Energy: 2.2156426690391964
Energy: 2.1110535756166913
Energy: 2.0723587566570476
Energy: 2.215642669040717
Energy: 2.1284014541884693
Energy: 2.196641272244376
Energy: 2.061589738119441
Energy: 2.128401454187732
Energy: 2.1966412722456203
Energy: 2.061589738120455
Energy: 2.1284014541884693
Energy: 2.196641272242855
Energy: 2.061589738118704
Energy: 2.128401454188239

minimum gb energy = 2.0609232222183977 eV
minimum distance =  2.25455039960019 Angstroms
sigma value = 293


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

Energy: 2.120323090572179
Energy: 2.119646346580469
Energy: 2.119786743651764
Energy: 2.12032309056943
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Energy: 2.1210851968746707
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Energy: 2.119786743650848
Energy: 2.1203230905740114
Energy: 2.119646346573139
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Energy: 2.1203230905666817
Energy: 2.1196463465740556
Energy: 2.1197867436535964
Energy: 2.1203230905675983
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Energy: 2.121131623087045
Energy: 2.120613840041414
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Energy: 2.121131623082464
Energy: 2.1206138400400394
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Energy: 2.1188743148627305
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Energy: 2.0630946229229297
Energy: 2.1188743148650215
Energy: 2.1186031293585605
Energy: 2.0630946229655343
Energy: 2.118874314855859
Energy: 2.1186031293526053
Energy: 2.0630946229476677
Energy: 2.1188743148572335
Energy: 2.0629385161079625
Energy: 2.1185475249889842
Energy: 2.118922331620248
Energy: 2.062938515621657
Energy: 2.1185475249944816
Energy: 2.1189223316188737
Energy: 2.0629385225383827
Energy: 2.1185475249935655
Energy: 2.1189223316147925
Energy: 2.0629385116960206
Energy: 2.1230701784543298
Energy: 2.1206732669648782
Energy: 2.1210851968829165
Energy: 2.1230701784557047
Energy: 2.1206732669635042
Energy: 2.121085196881084
Energy: 2.1230701784543298
Energy: 2.1206732669662527
Energy: 2.1210851968838327
Energy: 2.1230701784607433
Energy: 2.11964634657772
Energy: 2.119786743654971
Energy: 2.1203230905671395
Energy: 2.1196463465745135
Energy: 2.119786743655887
Energy: 2.1203230905703467
Energy: 2.119646346573139
Energy: 2.1197867436535964
Energy: 2.120323090572179
Energy: 2.11964634657772
Energy: 2.120613840040956
Energy: 2.122997396541693
Energy: 2.1211316230856703
Energy: 2.1206138400363743
Energy: 2.1229973965412348
Energy: 2.121131623077883
Energy: 2.120613840035916
Energy: 2.1229973965394024
Energy: 2.1211316230820056
Energy: 2.12061384004233

minimum gb energy = 2.0629385116960206 eV
minimum distance =  2.32422393101783 Angstroms
sigma value = 15


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

Energy: 2.120823034603634
Energy: 2.0634574236224457
Energy: 2.1042934628599856
Energy: 2.0306286144153294
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Energy: 2.1095699850329463
Energy: 2.0377605210641474
Energy: 1.9783999939372223
Energy: 1.9938141348141862
Energy: 2.0377605210620704
Energy: 1.9783999939434522
Energy: 1.9938141348204161
Energy: 2.0377605210662235
Energy: 1.9783999939476056
Energy: 1.99381413481211
Energy: 2.0377605210662235
Energy: 2.0212610217565303
Energy: 2.2160877558791423
Energy: 2.0142225584663627
Energy: 2.021261021748224
Energy: 2.2160877558853342
Energy: 2.0142987641251797
Energy: 2.0212610217523768
Energy: 2.2160877558915644
Energy: 2.0142225584622477
Energy: 2.0212610217544538
Energy: 1.9731383501531188
Energy: 2.0370354089274865
Energy: 1.9915329669386963
Energy: 1.9731383501593485
Energy: 2.03703540893164
Energy: 1.9915329669324668
Energy: 1.9731383501655786
Energy: 2.037035408933716
Energy: 1.9915329669324668
Energy: 1.9731383501510422
Energy: 2.023180234913012
Energy: 1.974795016274544
Energy: 1.977563899007391
Energy: 2.0259901425622573
Energy: 1.974795016270391
Energy: 1.977563899011544
Energy: 2.023180234917128
Energy: 1.974795016270391
Energy: 1.977563899011544
Energy: 2.025990142558104
Energy: 2.022402913723005
Energy: 2.0054340922249554
Energy: 2.12226860882662
Energy: 2.023779578767993
Energy: 2.005434092229109
Energy: 2.239190227434591
Energy: 2.022402913731312
Energy: 2.0054340922270315
Energy: 2.122268608837003
Energy: 2.0237795787762995
Energy: 1.9705903406738123
Energy: 2.1637074301701444
Energy: 2.0391465534712347
Energy: 1.9705903406924639
Energy: 2.1637074301701444
Energy: 2.039146553475388
Energy: 1.9705903406820808
Energy: 2.1637074301659918
Energy: 2.039146553479541
Energy: 1.970590340675889
Energy: 2.0674770893631993
Energy: 2.015780091791697
Energy: 1.9966906076082591
Energy: 2.0674770893673533
Energy: 2.0157800917875437
Energy: 1.9966906076061826
Energy: 2.0674770893631993
Energy: 2.01578009178962
Energy: 1.9966906076082591
Energy: 2.0674770893673533
Energy: 2.0367773594596126
Energy: 1.9956877504687285
Energy: 1.9731345442787145
Energy: 2.0367773594533825
Energy: 1.9956877504708053
Energy: 1.9730855924943553
Energy: 2.0367773594596126
Energy: 1.9956877504666521
Energy: 1.9731345443057107
Energy: 2.0367773594596126
Energy: 2.0558891516704954
Energy: 2.1345680874905675
Energy: 1.978878426374919
Energy: 2.055889151674648
Energy: 2.1345680874905675
Energy: 1.9788784263769956
Energy: 2.0558891516725715
Energy: 2.1345680874905675
Energy: 1.9788784263790722
Energy: 2.0558891516663422
Energy: 2.0047700745550436
Energy: 2.265800303103457
Energy: 2.0239156791667687
Energy: 2.004770074548814
Energy: 2.265800303097227
Energy: 2.0239156791708837
Energy: 2.004770074550891
Energy: 2.265800303093074
Energy: 2.0239156791750377
Energy: 2.0047700745550436
Energy: 2.142549927991378
Energy: 2.094043944221609
Energy: 1.972844490329542
Energy: 2.142549927995531
Energy: 2.094043944217456
Energy: 1.9728444903274651
Energy: 2.142549927987225
Energy: 2.094043944204996
Energy: 1.9728444903171198
Energy: 2.142549927991378
Energy: 2.012439898654515
Energy: 2.086140481860464
Energy: 2.041427169113546
Energy: 2.012439898658668
Energy: 2.0861404818563107
Energy: 2.041427169115623
Energy: 2.0124398986524388
Energy: 2.0861404818646174
Energy: 2.0414271691093933
Energy: 2.0124398986524388
Energy: 1.9967704222633929
Energy: 2.043111612256365
Energy: 2.0338839840282787
Energy: 1.9967704222633929
Energy: 2.0437350065637596
Energy: 2.0343730371799156
Energy: 1.9967704222696223
Energy: 2.043111612260518
Energy: 2.033883984015819
Energy: 1.9967704222592393
Energy: 2.0567505512325064
Energy: 1.9696102451051205
Energy: 2.081524519778421
Energy: 2.0567505512262767
Energy: 1.9696102451051205
Energy: 2.0815245197825747
Energy: 2.0567505512262767
Energy: 1.9696102450988904
Energy: 2.0815245197825747
Energy: 2.0567505512283533
Energy: 2.015479574364191
Energy: 2.2100586521160857
Energy: 2.0151874720109606
Energy: 2.015479574372497
Energy: 2.210058652012293
Energy: 2.0151874720068075
Energy: 2.0154795743704206
Energy: 2.2100586520413654
Energy: 2.015187472004731
Energy: 2.0154795743683436
Energy: 2.107786035874891
Energy: 1.9793560880765178
Energy: 2.0228708205219625
Energy: 2.107786035866584
Energy: 1.97936139112888
Energy: 2.0228708205157324
Energy: 2.1077860358728144
Energy: 1.979356088078594
Energy: 2.0228708205198855
Energy: 2.107786035879044
Energy: 2.033189486224257
Energy: 2.0110874282198155
Energy: 1.9965572478273217
Energy: 2.0331894862304867
Energy: 2.011087428232275
Energy: 1.9965572478293983
Energy: 2.0331894862325637
Energy: 2.011087428226045
Energy: 1.9965572478314748
Energy: 2.0331894862304867
Energy: 2.1414164910031617
Energy: 2.045907500173224
Energy: 2.007402668373649
Energy: 2.1414164910052382
Energy: 2.0459075001794536
Energy: 2.0074069942357853
Energy: 2.1414164910010856
Energy: 2.0459075001690707
Energy: 2.0074026683757253
Energy: 2.1414164910031617
Energy: 1.9734918249077213
Energy: 2.0392125960194663
Energy: 2.1073209681007974
Energy: 1.9734918249014917
Energy: 2.0392125960339644
Energy: 2.107320968102874
Energy: 1.9734918248890316
Energy: 2.039212596027773
Energy: 2.107320968111143
Energy: 1.9734918249014917
Energy: 2.0239525638030016
Energy: 2.2391241323918547
Energy: 2.005589220543181
Energy: 2.023952563813385
Energy: 2.239124132398084
Energy: 2.0055892205369514
Energy: 2.0239525638030016
Energy: 2.2391241323877007
Energy: 2.005589220539028
Energy: 2.0239525638009255

minimum gb energy = 1.9689695955825939 eV
minimum distance =  2.25436894049067 Angstroms
sigma value = 437


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

Energy: 1.8240168794901044
Energy: 2.070509919018212
Energy: 2.0702663273042656
Energy: 1.8240168794931306
Energy: 2.070509919018969
Energy: 2.070266327301239
Energy: 1.824016879490861
Energy: 2.0705099190174554
Energy: 2.070266327303509
Energy: 1.8240168794938871
Energy: 1.9035510087006338
Energy: 1.7837920890189591
Energy: 1.7956940849156282
Energy: 1.9035510087029035
Energy: 1.7837920890234986
Energy: 1.7956940849133587
Energy: 1.9035510087029035
Energy: 1.7837920890182026
Energy: 1.7956940849163847
Energy: 1.9035510087021468
Energy: 1.9804475577221377
Energy: 1.7670438184341826
Energy: 1.7798425099711987
Energy: 1.9804475577244074
Energy: 1.767043818438722
Energy: 1.7799505531029596
Energy: 1.9804475577228944
Energy: 1.7670438184341826
Energy: 1.7799522441719011
Energy: 1.980447557725164
Energy: 1.801169638597646
Energy: 1.9030383008083849
Energy: 1.8011957945823374
Energy: 1.8011696385991591
Energy: 1.9030383008083849
Energy: 1.8011957945823374
Energy: 1.8011696385961327
Energy: 1.9030383008061154
Energy: 1.801195794584607
Energy: 1.8011696385984026
Energy: 1.8294354308911622
Energy: 1.8014911088038204
Energy: 2.2808584966567222
Energy: 1.8294354308919187
Energy: 1.8014911088000378
Energy: 2.280858496657479
Energy: 1.8294354308888925
Energy: 1.8014911088038204
Energy: 2.280858496657479
Energy: 1.8294354308926755
Energy: 1.7985145025819451
Energy: 1.9090912711837662
Energy: 1.78323199601719
Energy: 1.7985145025849714
Energy: 1.9090912711830097
Energy: 1.7832319960141638
Energy: 1.798514502578919
Energy: 1.9090912711830097
Energy: 1.78323199601719
Energy: 1.798514502585728
Energy: 1.9014093341096483
Energy: 1.8282637859613209
Energy: 1.7669414123170528
Energy: 1.9014093341058655
Energy: 1.8282637859635904
Energy: 1.7669414123170528
Energy: 1.9014093341134308
Energy: 1.828263785962834
Energy: 1.7669414123178093
Energy: 1.901409334105109
Energy: 1.7865059457339523
Energy: 2.0536169994439737
Energy: 1.794826150774799
Energy: 1.7865059457263865
Energy: 2.0536169994409477
Energy: 1.7948261507717729
Energy: 1.7865059457331955
Energy: 2.053616999442461
Energy: 1.794826150774799
Energy: 1.7865059457271433
Energy: 2.0617363872959764
Energy: 1.8028272620753027
Energy: 1.8020863852081914
Energy: 2.0617363872944634
Energy: 1.8028272620790855
Energy: 1.8020863852066782
Energy: 2.0617363872967327
Energy: 1.802827262076816
Energy: 1.8020863852104612
Energy: 2.0617363872974894
Energy: 1.8060517489061911
Energy: 1.9360882329047464
Energy: 2.308445574368056
Energy: 1.8060517489084609
Energy: 1.9360882329062594
Energy: 2.3084455743688124
Energy: 1.8060517489061911
Energy: 1.9360882329062594
Energy: 2.308445574369569
Energy: 1.8060517489077041
Energy: 1.7678801276870864
Energy: 1.7782640707202921
Energy: 1.9175092871383739
Energy: 1.76788012768633
Energy: 1.7782640707195356
Energy: 1.9175092871383739
Energy: 1.767880127687843
Energy: 1.7782640707202921
Energy: 1.9175092871376171
Energy: 1.7678801276848168
Energy: 1.9363371454772762
Energy: 1.7822059689273861
Energy: 2.027839271014873
Energy: 1.9363371454765197
Energy: 1.7822059689273861
Energy: 2.027839271011847
Energy: 1.9363371454780327
Energy: 1.7822059689258731
Energy: 2.02783927101563
Energy: 1.9363371454765197
Energy: 1.8024382781459143
Energy: 2.3116836920557016
Energy: 1.8019721566503801
Energy: 1.8024382781459143
Energy: 2.311683692053432
Energy: 1.8019721566496236
Energy: 1.8024382781451578
Energy: 2.311683692054945
Energy: 1.8019721566496236
Energy: 1.8024382781459143
Energy: 1.8080795509331666
Energy: 1.7827087237022277
Energy: 1.902351343384498
Energy: 1.8080795509331666
Energy: 1.782708723698445
Energy: 1.902351343382985
Energy: 1.8080795509331666
Energy: 1.782708723701471
Energy: 1.9023513433837418
Energy: 1.80807955093241

minimum gb energy = 1.7669414123170528 eV
minimum distance =  2.26483766282831 Angstroms
sigma value = 33