Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.56183634698391
cohesive_energy=3.9401847031687383
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.0192572253714439
Energy: 0.821973073779931
Energy: 0.47833222732841313
Energy: 0.8223695986113141
Energy: 0.019257225371180138
Energy: 0.8219730737791691
Energy: 0.4783322273279149
Energy: 0.9239226021229879
Energy: 0.01992207234578296
Energy: 0.414639912180306
Energy: 0.020012354445302173
Energy: 0.9239226021214639
Energy: 0.01992207234578296
Energy: 0.4146399121821229
Energy: 0.019257225371707657
Energy: 0.821973073779931
Energy: 0.47833222732814934
Energy: 0.8223695986113141
Energy: 0.019257225371180138
Energy: 0.8219730737794329
Energy: 0.4783322273279149
Energy: 0.9239226021229879
Energy: 0.01992207234604672
Energy: 0.414639912180306
Energy: 0.020012354445565938
Energy: 0.9239226021209365
Energy: 0.0199220723455192
Energy: 0.4146399121815954
Energy: 0.019257225371707657
Energy: 0.821973073779931
Energy: 0.47833222732814934
Energy: 0.8223695986115779
Energy: 0.019257225371180138
Energy: 0.8219730737794329
Energy: 0.4783322273276512
Energy: 0.9239226021227535
Energy: 0.01992207234578296
Energy: 0.41463991218056967
Energy: 0.02001235444580039
Energy: 0.9239226021209365
Energy: 0.0199220723455192
Energy: 0.4146399121818592

minimum gb energy = 0.019257225371180138 eV
minimum distance =  2.50133844641302 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 2.0063001345755644
Energy: 1.8861034002417683
Energy: 1.9283597594566306
Energy: 1.885907030280649
Energy: 2.006300134581866
Energy: 1.8861034002511632
Energy: 1.9283597594503292
Energy: 1.8673070410082762
Energy: 1.8529751098853968
Energy: 1.9075795385939276
Energy: 1.8793301065176937
Energy: 1.8673070410082762
Energy: 1.8529751099043015
Energy: 1.9075795385844756
Energy: 1.8758378403826665
Energy: 1.8760284877535276
Energy: 1.8533329553783364
Energy: 1.8716736066328643
Energy: 1.875837840376365
Energy: 1.876028487728379
Energy: 1.8533329553657332
Energy: 1.9493005814065774
Energy: 1.8916722335613918
Energy: 1.8638081684198076
Energy: 1.9101863585911403
Energy: 1.9493005814002762
Energy: 1.891672233558241
Energy: 1.8638081697646027
Energy: 1.9091004457973697
Energy: 1.856743880862501
Energy: 1.8507901893685474
Energy: 1.8711279014251296
Energy: 1.9091004458099725
Energy: 1.8567438808688024
Energy: 1.850790189359095
Energy: 1.8899557859656364
Energy: 1.901975038343119
Energy: 1.8954166297130752
Energy: 1.8594531828329943
Energy: 1.8899557859656364
Energy: 1.901975038343119
Energy: 1.8954166297193769
Energy: 1.8732912888937687
Energy: 1.9228864723254817
Energy: 1.8860855166755817
Energy: 1.912861778592764
Energy: 1.8732912888874673
Energy: 1.9228864723286325
Energy: 1.8860855166472255
Energy: 1.8722885320106804
Energy: 1.8749124590461133
Energy: 1.857619979665046
Energy: 1.8746141458797836
Energy: 1.8722885320232832
Energy: 1.8749124590555655
Energy: 1.8576199796587447
Energy: 1.8371636698366673
Energy: 1.9079315339155076
Energy: 1.8430856550570878
Energy: 1.8966682183031807
Energy: 1.8371636698524212
Energy: 1.9079315339155076
Energy: 1.8430856550602388
Energy: 1.9086330468560269
Energy: 1.9019691019280849
Energy: 1.8953691867284939
Energy: 1.8887188469401526
Energy: 1.9086330468717807
Energy: 1.9019691019501404
Energy: 1.8953691867347953
Energy: 1.8546357279916792
Energy: 1.908949047648826
Energy: 1.8925806498664821
Energy: 1.8889507336704259
Energy: 1.85463572799483
Energy: 1.9089490476551274
Energy: 1.8925806498727837
Energy: 1.92673898749575
Energy: 1.8837280350612304
Energy: 1.918257480953777
Energy: 1.8636159757751256
Energy: 1.92673898749575
Energy: 1.8837280350486272
Energy: 1.918257480953777
Energy: 1.9013978850585658
Energy: 1.9327252809664033
Energy: 1.8692315571623566
Energy: 1.9170476829592806
Energy: 1.9013978850522641
Energy: 1.9327252809601019
Energy: 1.869231557171809
Energy: 1.8515174942681496
Energy: 1.8372161218145113
Energy: 1.8956246348112769
Energy: 1.874396897021489
Energy: 1.8515174942649988
Energy: 1.8372161218113607
Energy: 1.8956246348175783
Energy: 1.8911829705826095
Energy: 1.890319006415652
Energy: 1.9069815041666918
Energy: 1.9024506524697846
Energy: 1.8911829705857601
Energy: 1.890319006415652
Energy: 1.9069815041698426
Energy: 1.8656393359529906
Energy: 1.8989633347345016
Energy: 1.8730159075434487
Energy: 1.882028123896147
Energy: 1.8656393359183325
Energy: 1.8989633347345016
Energy: 1.8730159075497501
Energy: 1.8892204008424034
Energy: 1.8959456077988168
Energy: 1.835196790087441
Energy: 1.912385481074548
Energy: 1.8892204008455542
Energy: 1.8959456077956665
Energy: 1.83519679008429
Energy: 1.8719726954019864
Energy: 1.8550546737386744
Energy: 1.8956159150547494
Energy: 1.8953949770353837
Energy: 1.8719726953988358
Energy: 1.8550546737481266
Energy: 1.8956159150579004
Energy: 1.9022407913387778
Energy: 1.8953698897341746
Energy: 1.8558294171268026
Energy: 1.9075872489410353
Energy: 1.9022407913324764
Energy: 1.8953698897341746
Energy: 1.8558294171424992
Energy: 1.908169025366506
Energy: 1.855916094862732
Energy: 1.8666958562561973
Energy: 1.8690182785541278
Energy: 1.9081690253791088
Energy: 1.8559160948375262
Energy: 1.8666958562561973
Energy: 1.8734893598291757
Energy: 1.914095424514498
Energy: 1.870998041205071
Energy: 1.9062740128846367
Energy: 1.8734893598323263
Energy: 1.9140954245176485
Energy: 1.8709980411893175
Energy: 1.872823789304406
Energy: 1.8975578320031274
Energy: 1.887501756077898
Energy: 1.9006736903923431
Energy: 1.8728237892981046
Energy: 1.8975578320062785
Energy: 1.8875017560747471
Energy: 1.890872681538871
Energy: 1.8758518921510463
Energy: 1.8714859564027229
Energy: 1.874648204745441
Energy: 1.8908726815483234
Energy: 1.8758518921668002
Energy: 1.871485956405874
Energy: 1.8587205463073053
Energy: 1.86246236380958
Energy: 1.8623334695451297
Energy: 1.8907538139724687
Energy: 1.858720546313607
Energy: 1.8624623638221833
Energy: 1.8623334695545821
Energy: 1.9117805961334597
Energy: 1.9051447099688776
Energy: 1.937426450085695
Energy: 1.90355675177581
Energy: 1.9117805961366106
Energy: 1.9051447099783296
Energy: 1.937426450104542
Energy: 1.8920725174751387
Energy: 1.894842589634486
Energy: 1.8461450855967776
Energy: 1.8786706894475822
Energy: 1.8920725174688373
Energy: 1.8948425896376369
Energy: 1.8461450855842318
Energy: 1.9889260322397706
Energy: 1.8470484418824658
Energy: 1.854925978474288
Energy: 1.8616760182840093
Energy: 1.9889260322460722
Energy: 1.8470484418887676
Energy: 1.8549259784679863
Energy: 1.9599474911544856
Energy: 1.9506469892976335
Energy: 1.8724982844876246
Energy: 1.9509010753776839
Energy: 1.9599474911450336
Energy: 1.9506469893039353
Energy: 1.8724982844813232
Energy: 1.8778358732492222
Energy: 1.8924545994357047
Energy: 1.8164943872546524
Energy: 1.845527442991665
Energy: 1.8778358732460716
Energy: 1.8924545994388555
Energy: 1.8164943872767074
Energy: 1.8610334393845762
Energy: 1.8794078213275434
Energy: 1.9556882624816792
Energy: 1.8974096346603604
Energy: 1.8610334393719734
Energy: 1.8794078213275434
Energy: 1.9556882624911316
Energy: 1.9089116729132258
Energy: 1.9286752490271177
Energy: 1.8669953870938825
Energy: 1.9183850348192348
Energy: 1.9089116729132258
Energy: 1.9286752490176655
Energy: 1.8669953870938825
Energy: 1.8736966710493468
Energy: 1.8725329138506115
Energy: 1.8780867173075733
Energy: 1.8402764063619583
Energy: 1.8736966710430454
Energy: 1.8725329138537623
Energy: 1.878086717285518
Energy: 1.9125197762912656
Energy: 1.9042359860904343
Energy: 1.868025470404768
Energy: 1.8760375493790924
Energy: 1.9125197762912656
Energy: 1.904235986084133
Energy: 1.8680254704142205
Energy: 1.9173717732968738
Energy: 1.8749858386132006
Energy: 1.8647471041493788
Energy: 1.8745379190300464
Energy: 1.9173717732968738
Energy: 1.874985838622653
Energy: 1.8647471041556807
Energy: 1.8739041535340912
Energy: 1.8767428472991843
Energy: 1.8583366349251818
Energy: 1.8884865280775622
Energy: 1.8739041535309409
Energy: 1.8767428472991843
Energy: 1.8583366349346337
Energy: 1.9080777627962422
Energy: 1.9021116091555499
Energy: 1.8661585001596854
Energy: 1.8891228185950737
Energy: 1.9080777627962422
Energy: 1.902111609152399
Energy: 1.8661585001627787
Energy: 1.8372300041028422
Energy: 1.9081045682124778
Energy: 1.8901542401366664
Energy: 1.8958054134604263
Energy: 1.8372300040902392
Energy: 1.9081045682061766
Energy: 1.8901542401492695
Energy: 1.8587193532248776
Energy: 1.8864108707268215
Energy: 1.896120558618423
Energy: 1.8561187854035768
Energy: 1.8587193532091237
Energy: 1.8864108707236706
Energy: 1.8961205586309688
Energy: 1.8882417974153012
Energy: 1.9500233956208528
Energy: 1.8305937831277501
Energy: 1.9165380172124677
Energy: 1.8882417973995471
Energy: 1.9500233956240034
Energy: 1.830593783130901
Energy: 1.8565146658550375
Energy: 1.8364847410546867
Energy: 1.8715775236702827
Energy: 1.8827847647361737
Energy: 1.8565146658676401
Energy: 1.8364847410578375
Energy: 1.8715775236828858
Energy: 1.8721572276671068
Energy: 1.8931980519749625
Energy: 1.907464118603869
Energy: 1.8921254917097758
Energy: 1.8721572276545035
Energy: 1.8931980519812641
Energy: 1.907464118603869
Energy: 1.9304085297116869
Energy: 1.8788983700944883
Energy: 1.8951034417278783
Energy: 1.8400432595934109
Energy: 1.9304085297337423
Energy: 1.8788983701007897
Energy: 1.8951034417215766
Energy: 1.901415037983545
Energy: 1.917005748615698
Energy: 1.8700988250219155
Energy: 1.933341068328803
Energy: 1.901415037986696
Energy: 1.9170057486000014
Energy: 1.870098825025066
Energy: 1.8790338271667173
Energy: 1.8897024881648554
Energy: 1.8775666442071477
Energy: 1.8801422845013904
Energy: 1.8790338271730185
Energy: 1.8897024881743076
Energy: 1.8775666442008458
Energy: 1.8372688313049
Energy: 1.9080309520897671
Energy: 1.8567502451874534
Energy: 1.906142463670739
Energy: 1.8372688313080507
Energy: 1.908030952080315
Energy: 1.8567502451811517
Energy: 1.9081827084271747
Energy: 1.9138580702635384
Energy: 1.8919681724094368
Energy: 1.9133938336831002
Energy: 1.9081827084177228
Energy: 1.9138580702477845
Energy: 1.891968172415738
Energy: 1.837387321349755
Energy: 1.9080627956330567
Energy: 1.877922037854348
Energy: 1.8965010584432882
Energy: 1.8373873213529057
Energy: 1.9080627956330567
Energy: 1.8779220378574986

minimum gb energy = 1.8164943872546524 eV
minimum distance =  2.23102738644737 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.9028458015889806
Energy: 1.96926012906605
Energy: 1.914354371555884
Energy: 1.96931775506281
Energy: 1.902845801595028
Energy: 1.9692601290617584
Energy: 1.92149120332736
Energy: 1.8780749806586559
Energy: 1.974860886626296
Energy: 1.8789167649270202
Energy: 1.9579272275785116
Energy: 1.878074980629329
Energy: 1.9748608866377406
Energy: 1.8789167649302065
Energy: 1.8560491028891277
Energy: 1.977565537686509
Energy: 1.8791962498106158
Energy: 1.9217340099361215
Energy: 1.8560491028730013
Energy: 1.9775655376843628
Energy: 1.8791962497895476
Energy: 1.8677344060454084
Energy: 1.977718148314176
Energy: 1.8796357159729695
Energy: 1.8587301019050375
Energy: 1.8677344060514558
Energy: 1.9777181483152813
Energy: 1.8796357159612
Energy: 1.8679239621110428
Energy: 1.9760022544338156
Energy: 1.8784297284104798
Energy: 1.9151691432032196
Energy: 1.8679239621056456
Energy: 1.9760022544431144
Energy: 1.8784297284111948
Energy: 1.856083935984167
Energy: 1.9759299598743876
Energy: 1.8582317451844512
Energy: 1.8634663002610694
Energy: 1.8560839359809156
Energy: 1.9759299598590416
Energy: 1.8582317451812649
Energy: 1.8557258640286902
Energy: 1.9065883231651832
Energy: 1.8701717367865145
Energy: 1.9165585341772107
Energy: 1.85572586400333
Energy: 1.9065883231887877
Energy: 1.8701717367743547
Energy: 1.855718473637822
Energy: 1.9163973571885309
Energy: 1.874858624512612
Energy: 1.9065130644413144
Energy: 1.8557184736438697
Energy: 1.916397357180988
Energy: 1.8748586245265277
Energy: 1.8559346414656002
Energy: 1.8645250560663345
Energy: 1.8889935245072025
Energy: 1.9759502712162809
Energy: 1.8559346414670308
Energy: 1.864525056058141
Energy: 1.8889935244960832
Energy: 1.867932508173055
Energy: 1.9152691068693224
Energy: 1.8925761807073014
Energy: 1.9761210406303222
Energy: 1.867932508180923
Energy: 1.9152691068903906
Energy: 1.8925761807022945
Energy: 1.867699766249951
Energy: 1.8589306622702633
Energy: 1.8968509120169879
Energy: 1.9777752145549328
Energy: 1.867699766242473
Energy: 1.8589306622720836
Energy: 1.8968509120223198
Energy: 1.8559545357421428
Energy: 1.921588522102532
Energy: 1.887771289358132
Energy: 1.9775325863918256
Energy: 1.8559545357438985
Energy: 1.9215885220946638
Energy: 1.8932717892502942
Energy: 1.8781055196981626
Energy: 1.9578102925909995
Energy: 1.9284924180798098
Energy: 1.9748397138044
Energy: 1.878105519711753
Energy: 1.957810292596722
Energy: 1.9308338293913065
Energy: 1.902845801590021
Energy: 1.969260129060718
Energy: 1.9214912033327571
Energy: 1.9693177550624197
Energy: 1.902845801594703
Energy: 1.9692601290617584
Energy: 1.9099757503697417
Energy: 1.8780749806586559
Energy: 1.9748608866266213
Energy: 1.87891676492663
Energy: 1.9579272275785116
Energy: 1.878074980629719
Energy: 1.9748608866384558
Energy: 1.8789167649313119
Energy: 1.8560491028894528
Energy: 1.9775655376868988
Energy: 1.8791962498106158
Energy: 1.921734009931505
Energy: 1.856049102872676
Energy: 1.9775655376847532
Energy: 1.8791962497895476
Energy: 1.8677344060457337
Energy: 1.9777181483145663
Energy: 1.8796357159722543
Energy: 1.8587301019168723
Energy: 1.867734406051846
Energy: 1.9777181483148913
Energy: 1.8796357159597694
Energy: 1.8679239621117583
Energy: 1.9760022544334908
Energy: 1.8784297284104798
Energy: 1.9151691432025042
Energy: 1.8679239621060357
Energy: 1.9760022544441547
Energy: 1.8784297284130156
Energy: 1.8560839359852075
Energy: 1.9759299598736724
Energy: 1.8582317451851664
Energy: 1.863466300260354
Energy: 1.8560839359823462
Energy: 1.9759299598590416
Energy: 1.8582317451808747
Energy: 1.8557258640290804
Energy: 1.9065883231651832
Energy: 1.8701717367865145
Energy: 1.9165585341768856
Energy: 1.8557258640036554
Energy: 1.9065883231880725
Energy: 1.8701717367754602
Energy: 1.855718473637822
Energy: 1.9163973571885309
Energy: 1.874858624512612
Energy: 1.9065130644417048
Energy: 1.8557184736438697
Energy: 1.9163973571813782
Energy: 1.8748586245268526
Energy: 1.8559346414666407
Energy: 1.8645250560613273
Energy: 1.8889935245125344
Energy: 1.9759502712162809
Energy: 1.855934641467356
Energy: 1.864525056057036
Energy: 1.8889935244989442
Energy: 1.8679325081733802
Energy: 1.915269106868932
Energy: 1.8925761807076915
Energy: 1.9761210406303222
Energy: 1.8679325081805331
Energy: 1.9152691068900656
Energy: 1.8925761807051558
Energy: 1.8676997662503412
Energy: 1.8589306622695476
Energy: 1.8890823750496468
Energy: 1.977775214555258
Energy: 1.867699766242083
Energy: 1.8589306622720836
Energy: 1.8890823750556942
Energy: 1.8559545357424676
Energy: 1.9215885221011013
Energy: 1.8877712893567011
Energy: 1.9775325863911104
Energy: 1.8559545357450038
Energy: 1.921588522089657
Energy: 1.8877712893477276
Energy: 1.8781055196974474
Energy: 1.9578102925917147
Energy: 1.9284924180783791
Energy: 1.9748397138040747
Energy: 1.8781055197121432
Energy: 1.957810292596722
Energy: 1.891983577576583
Energy: 1.902845801590021
Energy: 1.969260129063189
Energy: 1.9214912033327571
Energy: 1.9693177550624197
Energy: 1.9028458015939875
Energy: 1.9692601290588971
Energy: 1.9214912033291807
Energy: 1.8780749806579402
Energy: 1.9748608866266213
Energy: 1.87891676492663
Energy: 1.9579272275785116
Energy: 1.878074980629329
Energy: 1.9748608866380657
Energy: 1.878916764930922
Energy: 1.8560491028887378
Energy: 1.9775655376868988
Energy: 1.8791962498099006
Energy: 1.9217340099322202
Energy: 1.8560491028733914
Energy: 1.9775655376843628
Energy: 1.8791962497902628
Energy: 1.8677344060457337
Energy: 1.977718148314176
Energy: 1.8796357159736852
Energy: 1.8587301019111497
Energy: 1.8677344060514558
Energy: 1.9777181483152813
Energy: 1.8796357159612
Energy: 1.8679239621106527
Energy: 1.9760022544338156
Energy: 1.8784297284104798
Energy: 1.9151691432025042
Energy: 1.8679239621053203
Energy: 1.9760022544434395
Energy: 1.8784297284126257
Energy: 1.8560839359848824
Energy: 1.9759299598740625
Energy: 1.8582317451848411
Energy: 1.8634663002685472
Energy: 1.856083935982021
Energy: 1.9759299598583264
Energy: 1.8582317451812649
Energy: 1.855725864027975
Energy: 1.9065883231655085
Energy: 1.870171736785474
Energy: 1.9165585341772107
Energy: 1.85572586400333
Energy: 1.9065883231887877
Energy: 1.8701717367754602
Energy: 1.855718473637822
Energy: 1.9163973571888562
Energy: 1.874858624512612
Energy: 1.9065130644409896
Energy: 1.8557184736442596
Energy: 1.9163973571813782
Energy: 1.8748586245272427
Energy: 1.8559346414670308
Energy: 1.8645250560656192
Energy: 1.8889935245032359
Energy: 1.9759502712159556
Energy: 1.8559346414684614
Energy: 1.864525056050988
Energy: 1.8889935244932219
Energy: 1.8679325081733802
Energy: 1.915269106868607
Energy: 1.892576180704115
Energy: 1.9761210406303222
Energy: 1.867932508180923
Energy: 1.9152691068900656
Energy: 1.8925761807166004
Energy: 1.8676997662503412
Energy: 1.8589306622677924
Energy: 1.8968509120216044
Energy: 1.9777752145545426
Energy: 1.8676997662427983
Energy: 1.8589306622709783
Energy: 1.8968509120234254
Energy: 1.8559545357421428
Energy: 1.9215885221028572
Energy: 1.8877712893577419
Energy: 1.9775325863911104
Energy: 1.8559545357446137
Energy: 1.9215885220932334
Energy: 1.8932717892517248
Energy: 1.8781055196981626
Energy: 1.9578102925909995
Energy: 1.9284924180772736
Energy: 1.9748397138040747
Energy: 1.8781055197110377
Energy: 1.957810292597112
Energy: 1.9308338293880551
Energy: 1.902845801590411
Energy: 1.9692601290642944
Energy: 1.921491203334188
Energy: 1.9693177550620948
Energy: 1.9028458015954182
Energy: 1.9692601290600027
Energy: 1.92149120332736
Energy: 1.8780749806586559
Energy: 1.9748608866266213
Energy: 1.87891676492663
Energy: 1.957927227578902
Energy: 1.878074980629719
Energy: 1.9748608866377406
Energy: 1.8789167649313119

minimum gb energy = 1.855718473637822 eV
minimum distance =  2.26719546537913 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.07066974745169
Energy: 1.9374010717202657
Energy: 2.060772561261032
Energy: 1.937376779232088
Energy: 2.070669747449625
Energy: 1.9374010717219174
Energy: 2.0607725612614454
Energy: 2.0355138513698514
Energy: 1.9057664771651575
Energy: 1.9588197611139877
Energy: 1.95534002500464
Energy: 2.0355138513776976
Energy: 1.9057664771643315
Energy: 1.958819761114401
Energy: 1.8763441081448313
Energy: 1.8803169396485542
Energy: 2.072599357517147
Energy: 1.926829827071543
Energy: 1.8763441081452443
Energy: 1.880316939651445
Energy: 2.0725993575121913
Energy: 1.9318877138638748
Energy: 1.9437465716953188
Energy: 1.9408839716783015
Energy: 1.8807277289998303
Energy: 1.9318877138647008
Energy: 1.9437465716936668
Energy: 1.9408839716787145
Energy: 2.0386726642201705
Energy: 1.9461783112815738
Energy: 2.077899330647284
Energy: 1.875216340842881
Energy: 2.0386726642214095
Energy: 1.9461783112832256
Energy: 2.0778993306448066
Energy: 1.9319198493524676
Energy: 1.8804833534774528
Energy: 1.9091956418237617
Energy: 1.9020597605067449
Energy: 1.9319198493458603
Energy: 1.880483353476214
Energy: 1.909195641829956
Energy: 2.0398758067678022
Energy: 1.9371014925379602
Energy: 1.9754246126633224
Energy: 1.981777518801076
Energy: 2.0398758067706932
Energy: 1.9371014925363081
Energy: 1.9754246126641481
Energy: 1.9320485282144069
Energy: 1.955316078415631
Energy: 1.9515346233242934
Energy: 1.9437241381576116
Energy: 1.9320485282152327
Energy: 1.955316078416457
Energy: 1.951534623330075
Energy: 2.0405401175832494
Energy: 1.943660668091886
Energy: 1.977433849371783
Energy: 1.9565183550636436
Energy: 2.0405401175782942
Energy: 1.943660668087756
Energy: 1.9700996042809
Energy: 1.9230803710162476
Energy: 1.9613925714964915
Energy: 2.09937391747323
Energy: 1.9383546523184445
Energy: 1.9230803710146336
Energy: 1.9613925714956655
Energy: 2.0993739174740567
Energy: 2.0385589081345894
Energy: 1.9662570423588914
Energy: 1.9702895749635676
Energy: 1.88096672510003
Energy: 2.038558908133763
Energy: 1.9662570423617822
Energy: 1.9702895749652194
Energy: 1.9676792451723388
Energy: 1.967947463950679
Energy: 2.014676071394189
Energy: 2.0097516587697055
Energy: 1.9676792451719258
Energy: 1.9679474639490646
Energy: 2.01467607138882
Energy: 1.9848915361722959
Energy: 1.9127469291937114
Energy: 2.0264839359890985
Energy: 1.9358608464902134
Energy: 1.9848915361685793
Energy: 1.9127469291937114
Energy: 2.0264839359895115
Energy: 2.0006289387574823
Energy: 1.882148954254352
Energy: 2.0424070540528008
Energy: 1.8819898112490079
Energy: 2.0006289387611993
Energy: 1.882148954253939
Energy: 2.0424070540552783
Energy: 1.9847895291080266
Energy: 1.9358799436061265
Energy: 2.026612851430524
Energy: 1.91318111116888
Energy: 1.9847895291080266
Energy: 1.935879943609017
Energy: 2.0266128514301114
Energy: 1.967652038876049
Energy: 2.009586130458746
Energy: 2.0147026346067376
Energy: 1.9677387257513108
Energy: 1.9676520388731582
Energy: 2.009586130460398
Energy: 2.01470263461128
Energy: 2.0385287672896784
Energy: 1.8809498342444237
Energy: 1.9706401040419754
Energy: 1.9662594595378287
Energy: 2.0385287672900914
Energy: 1.880949834243598
Energy: 1.9706401040394974
Energy: 1.9231583272156891
Energy: 1.9381409456951286
Energy: 2.099456766558732
Energy: 1.9615327930835205
Energy: 1.92315832721858
Energy: 1.9381409456967804
Energy: 2.0994567665603845
Energy: 2.0403012485131686
Energy: 1.956085319105526
Energy: 1.9404009170451662
Energy: 1.9436734080389435
Energy: 2.04030124851482
Energy: 1.956085319100983
Energy: 1.9404009170488825
Energy: 1.9320946294813728
Energy: 1.9436929580497009
Energy: 1.9517080940309341
Energy: 1.9552377596670538
Energy: 1.9320946294805468
Energy: 1.9436929580530045
Energy: 1.9517080940329992
Energy: 2.0398809403318876
Energy: 1.9816393351103487
Energy: 2.093711577612616
Energy: 1.9371096279236752
Energy: 2.0398809403323006
Energy: 1.9816393351107615
Energy: 2.0937115776097253
Energy: 1.931976121698407
Energy: 1.902075324178705
Energy: 1.9091211051532504
Energy: 1.880462452703411
Energy: 1.9319761216992328
Energy: 1.9020753241827968
Energy: 1.9091211051487078
Energy: 2.0388703293092396
Energy: 1.875233577142976
Energy: 2.0077676893597713
Energy: 1.9461523757612313
Energy: 2.038870329312543
Energy: 1.8752335771475186
Energy: 2.007767689359359
Energy: 1.931848087596116
Energy: 1.880740617354727
Energy: 1.9410700911020105
Energy: 1.9437513266962367
Energy: 1.9318480875965287
Energy: 1.8807406173530752
Energy: 1.9410700911057275
Energy: 1.8762217184154946
Energy: 1.9267290524316527
Energy: 1.991689155647587
Energy: 1.8803255116855844
Energy: 1.8762217184121908
Energy: 1.9267290524357823
Energy: 1.9916891556442835
Energy: 2.0355305118844056
Energy: 1.9553004182513571
Energy: 1.9584750454544653
Energy: 1.9058057661261103
Energy: 2.035530511887709
Energy: 1.955300418258753
Energy: 1.9584750454585949
Energy: 2.070669747450451
Energy: 1.9374010717206787
Energy: 2.0366484904135955
Energy: 1.9373767792386951
Energy: 2.070669747451277
Energy: 1.9374010717186139
Energy: 2.036648490410705
Energy: 2.0355138513752205
Energy: 1.9057664771663965
Energy: 1.9588197611156397
Energy: 1.9553400250083568
Energy: 2.0355138513686124
Energy: 1.9057664771647447
Energy: 1.9588197611164655
Energy: 1.8763441081440053
Energy: 1.8803169396493802
Energy: 2.0405378319948566
Energy: 1.9268298270711302
Energy: 1.876344108148135
Energy: 1.8803169396481414
Energy: 2.040537831993617
Energy: 1.9318877138663526
Energy: 1.94374657169408
Energy: 1.940883971675411
Energy: 1.8807277289973527
Energy: 1.9318877138667656
Energy: 1.9437465716953188
Energy: 1.9408839716774755
Energy: 2.038672664222235
Energy: 1.9461783112848774
Energy: 2.0139030709829497
Energy: 1.8752163408437068
Energy: 2.038672664221822
Energy: 1.9461783112811608
Energy: 2.0139030709821233
Energy: 1.9319198493520546
Energy: 1.8804833534766265
Energy: 1.9091956418303688
Energy: 1.9020597605104614
Energy: 1.9319198493524676
Energy: 1.8804833534753882
Energy: 1.9091956418221094
Energy: 2.0398758067682157
Energy: 1.9371014925379602
Energy: 1.9196113429347184
Energy: 1.9817775187994242
Energy: 2.039875806766564
Energy: 1.9371014925400247
Energy: 1.9196113429322406
Energy: 1.9320485282148196
Energy: 1.9553160784172827
Energy: 1.95153462332801
Energy: 1.9437241381613282
Energy: 1.9320485282144069
Energy: 1.9553160784143921
Energy: 1.95153462332801
Energy: 2.0405401175803592
Energy: 1.9436606680947766
Energy: 1.9404666719236527
Energy: 1.9565183550632308
Energy: 2.0405401175807723
Energy: 1.9436606680931248
Energy: 1.9404666719257175
Energy: 1.9230803710142204
Energy: 1.9613925714960783
Energy: 2.0993739174757082
Energy: 1.9383546523225745
Energy: 1.9230803710109168
Energy: 1.9613925714964915
Energy: 2.09937391747323

minimum gb energy = 1.875216340842881 eV
minimum distance =  2.25332453485286 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.947836426129972
Energy: 1.9814555272003302
Energy: 2.0209338647700705
Energy: 1.9815431321840962
Energy: 1.9478364261226615
Energy: 1.9814555271983807
Energy: 2.02093386477202
Energy: 1.9268865987547117
Energy: 1.9456364097526133
Energy: 1.7668361067236227
Energy: 1.9459069258549984
Energy: 1.9268865987464265
Energy: 1.9456364097472525
Energy: 1.7668361067177742
Energy: 1.9485725332728305
Energy: 1.8038834217389215
Energy: 1.9490225792539844
Energy: 1.9757049533496664
Energy: 1.9485725332747799
Energy: 1.803883421736972
Energy: 1.9490225792622697
Energy: 1.9362896456058893
Energy: 1.948522934559963
Energy: 1.7664814182864492
Energy: 1.9180168882471105
Energy: 1.9362896456088137
Energy: 1.9485229346062203
Energy: 1.7664814182859616
Energy: 1.9886034197165021
Energy: 1.9756044008782983
Energy: 1.9038973955314544
Energy: 1.9757459385166354
Energy: 1.9886034197213758
Energy: 1.9756044008724494
Energy: 1.9038973955363279
Energy: 1.9261712320330422
Energy: 1.946403549494157
Energy: 2.012372865998142
Energy: 1.919464982575108
Energy: 1.9261712320218765
Energy: 1.946403549493182
Energy: 2.0123728659937554
Energy: 2.0989089278947066
Energy: 1.975424049202429
Energy: 1.9436157302740016
Energy: 1.975648461465199
Energy: 2.098908927902992
Energy: 1.9754240491941433
Energy: 1.94361573027985
Energy: 1.9258812363621345
Energy: 1.780064633342852
Energy: 1.8956739786269952
Energy: 1.7800454925860048
Energy: 1.9258812363557984
Energy: 1.7800646333457761
Energy: 1.8956739786235837
Energy: 2.098993949950796
Energy: 1.9756567473085513
Energy: 1.978300602218169
Energy: 1.97540456529078
Energy: 2.0989939499576193
Energy: 1.975656747310501
Energy: 1.9783006022137823
Energy: 1.9360644574394614
Energy: 1.9194674004210428
Energy: 2.0121512240404984
Energy: 1.9463008141072888
Energy: 1.9360644574433605
Energy: 1.9194674004210428
Energy: 2.012151224041961
Energy: 1.988612971917482
Energy: 1.9758337043691034
Energy: 1.9431969927911896
Energy: 1.9753807414503528
Energy: 1.9886129719101715
Energy: 1.9758337043603305
Energy: 1.9327094267616696
Energy: 1.9362202280906604
Energy: 1.9178784311936503
Energy: 1.766644125387519
Energy: 1.94731265429813
Energy: 1.9362202280823746
Energy: 1.9178784311839028
Energy: 1.7666441253919052
Energy: 1.9483562678375639
Energy: 1.975773612340966
Energy: 1.9340308681897527
Energy: 1.8038859144338049
Energy: 1.948356267834152
Energy: 1.9757736123434027
Energy: 1.9340308681878033
Energy: 1.9268621163206794
Energy: 1.945797646473986
Energy: 1.766968194636736
Energy: 1.9455520885899977
Energy: 1.926862116317268
Energy: 1.9457976464754478
Energy: 1.7669681946372233
Energy: 1.947836426129972
Energy: 1.9814555272003302
Energy: 2.008970458137781
Energy: 1.9815431321831216
Energy: 1.9478364261226615
Energy: 1.9814555271964311
Energy: 2.0089704581392436
Energy: 1.9268865987542245
Energy: 1.9456364097516385
Energy: 1.7668361067255722
Energy: 1.945906925857923
Energy: 1.9268865987474013
Energy: 1.945636409744328
Energy: 1.7668361067182614
Energy: 1.9485725332713684
Energy: 1.8038834217384339
Energy: 1.9490225792515474
Energy: 1.9757049533496664
Energy: 1.9485725332742925
Energy: 1.803883421737459
Energy: 1.9490225792612952
Energy: 1.936289645606377
Energy: 1.9485229345755595
Energy: 1.7664814182869362
Energy: 1.9180168882466229
Energy: 1.9362896456088137
Energy: 1.9485229345706854
Energy: 1.766481418284987
Energy: 1.9886034197165021
Energy: 1.9756044008797602
Energy: 1.9038973955338911
Energy: 1.9757459385166354
Energy: 1.9886034197233255
Energy: 1.9756044008739115
Energy: 1.9038973955387648
Energy: 1.9261712320349915
Energy: 1.9464035494917198
Energy: 2.0123728659971674
Energy: 1.919464982574133
Energy: 1.9261712320223638
Energy: 1.9464035494946441
Energy: 2.0123728659932683
Energy: 2.098908927895194
Energy: 1.9754240492019415
Energy: 1.9166733252436883
Energy: 1.9756484614647118
Energy: 2.098908927902505
Energy: 1.9754240491956057
Energy: 1.916673325241739
Energy: 1.9258812363621345
Energy: 1.7800646333433392
Energy: 1.895673978626508
Energy: 1.7800454925855176
Energy: 1.9258812363562856
Energy: 1.7800646333457761
Energy: 1.8956739786235837
Energy: 2.0989939499537202
Energy: 1.975656747308064
Energy: 1.886444652064206
Energy: 1.9754045652893175
Energy: 2.0989939499590817
Energy: 1.9756567473109883
Energy: 1.8864446520603069
Energy: 1.9360644574389738
Energy: 1.9194674004195809
Energy: 2.012151224038549
Energy: 1.946300814106802
Energy: 1.9360644574423858
Energy: 1.9194674004229926
Energy: 2.012151224040986
Energy: 1.988612971919919
Energy: 1.975833704369591
Energy: 1.8055109826207216
Energy: 1.975380741453277
Energy: 1.9886129719106587
Energy: 1.9758337043617928
Energy: 1.8055109826187719
Energy: 1.9362202280896856
Energy: 1.9178784311921884
Energy: 1.7666441253855691
Energy: 1.9473126542947183
Energy: 1.9362202280818874
Energy: 1.917878431185365
Energy: 1.7666441253909304
Energy: 1.9483562678370765
Energy: 1.9757736123404785
Energy: 1.9209469453958279
Energy: 1.803885914431368
Energy: 1.948356267835614
Energy: 1.975773612344865
Energy: 1.9209469453987522
Energy: 1.9268621163236037
Energy: 1.9457976464734985
Energy: 1.766968194638198
Energy: 1.9455520885899977
Energy: 1.9268621163197046
Energy: 1.9457976464764228
Energy: 1.7669681946362483
Energy: 1.947836426129485
Energy: 1.9814555271983807
Energy: 1.929876333382353
Energy: 1.9815431321840962
Energy: 1.9478364261221741
Energy: 1.9814555271969183
Energy: 1.9298763333818656
Energy: 1.9268865987542245
Energy: 1.9456364097531007
Energy: 1.7668361067236227
Energy: 1.9459069258569481
Energy: 1.926886598746914
Energy: 1.9456364097462775
Energy: 1.7668361067182614

minimum gb energy = 1.766481418284987 eV
minimum distance =  2.26934590703923 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.039761058842051
Energy: 1.9229144649537988
Energy: 1.890971746316119
Energy: 1.9229071150406383
Energy: 2.039761058845601
Energy: 1.922914464952615
Energy: 1.8909717463184856
Energy: 2.0450828122566054
Energy: 1.9090525910635536
Energy: 1.7119332644264398
Energy: 1.9085520932804148
Energy: 2.0450828122601554
Energy: 1.909052591066512
Energy: 1.7119332644234817
Energy: 2.0397841620272494
Energy: 1.8719975101069282
Energy: 1.8608844595296736
Energy: 1.9206778060947491
Energy: 2.039784162028433
Energy: 1.8719975101027866
Energy: 1.860884459529082
Energy: 2.0466014833605195
Energy: 1.90966885918673
Energy: 1.8256578914906887
Energy: 1.900419930419222
Energy: 2.046601483358745
Energy: 1.90966885918673
Energy: 1.8256578914895054
Energy: 1.9277558720252717
Energy: 1.8224094094718928
Energy: 1.95448335968989
Energy: 1.8220710901124555
Energy: 1.9277558720246801
Energy: 1.8224094094724845
Energy: 1.95448335968989
Energy: 2.046540346518092
Energy: 1.8303691572333693
Energy: 2.0672162476023876
Energy: 1.9012948712511661
Energy: 2.0465403465151337
Energy: 1.8303691572327776
Energy: 2.067216247602979
Energy: 1.9894022987097604
Energy: 1.8224198897052197
Energy: 1.9540468965600606
Energy: 1.947006100942598
Energy: 1.989402298708577
Energy: 1.8224198897052197
Energy: 1.9540468965565108
Energy: 1.9833913853134957
Energy: 1.923118893872406
Energy: 2.0668673453633866
Energy: 1.9012768549888908
Energy: 1.9833913853152707
Energy: 1.9231188938700396
Energy: 2.066867345367528
Energy: 1.9893046543703023
Energy: 1.9004928238480818
Energy: 1.8907869301044795
Energy: 1.9436852281237031
Energy: 1.9893046543703023
Energy: 1.9004928238480818
Energy: 1.890786930101521
Energy: 1.9880011345210336
Energy: 1.9302352530472937
Energy: 1.8034282567105266
Energy: 1.9007685655449564
Energy: 1.9880011345222168
Energy: 1.9302352530472937
Energy: 1.8034282567087516
Energy: 2.0661712632410625
Energy: 1.9131499708305653
Energy: 1.9653905017062452
Energy: 1.9112096571966448
Energy: 2.066171263240471
Energy: 1.9131499708293822
Energy: 1.96539050170447
Energy: 1.8140021958214914
Energy: 1.9296668391209808
Energy: 1.8235629808993052
Energy: 1.8213826110669125
Energy: 1.814002195820308
Energy: 1.929666839123939
Energy: 1.8235629809069966
Energy: 2.0589310147078206
Energy: 1.9124096078083044
Energy: 1.9679260343841938
Energy: 1.8998712997534164
Energy: 2.058931014709595
Energy: 1.9124096078083044
Energy: 1.9679260343830105
Energy: 1.8139693571476694
Energy: 1.9300156867164555
Energy: 1.928121222558208
Energy: 1.821354922461484
Energy: 1.813969357151219
Energy: 1.9300156867146807
Energy: 1.9281212225576163
Energy: 2.043347889140034
Energy: 1.8405429726011568
Energy: 1.8251220978686713
Energy: 1.8997847760957403
Energy: 2.0433478891364834
Energy: 1.8405429726023403
Energy: 1.8251220978698546
Energy: 1.814547361294826
Energy: 1.987764517675208
Energy: 1.9273453343523694
Energy: 1.931482359660513
Energy: 1.8145473613013072
Energy: 1.9877645176757996
Energy: 1.9273453343511862
Energy: 2.0432760057339956
Energy: 1.840514239198606
Energy: 1.9798524313700725
Energy: 1.8998654333304772
Energy: 2.0432760057345876
Energy: 1.8405142391980145
Energy: 1.9798524313724393
Energy: 1.8146735180751827
Energy: 1.9288841180572693
Energy: 1.9047777542989923
Energy: 1.928349218682342
Energy: 1.8146735180769578
Energy: 1.9288841180584528
Energy: 1.904777754296034
Energy: 2.040084471433274
Energy: 1.840587049702029
Energy: 2.097623112983884
Energy: 1.8998872644897997
Energy: 2.040084471435049
Energy: 1.8405870497026207
Energy: 2.097623112990984
Energy: 1.81446186019646
Energy: 2.00980144136093
Energy: 1.8888347492988857
Energy: 2.0098162461056317
Energy: 1.8144618601923184
Energy: 2.0098014413615215
Energy: 1.8888347492959274
Energy: 2.040041472626399
Energy: 1.9000876158725923
Energy: 2.0975766410006216
Energy: 1.840684717779055
Energy: 2.040041472625808
Energy: 1.9000876158737756
Energy: 2.097576640998255
Energy: 1.81452719771827
Energy: 1.9282246164269277
Energy: 1.9048520762628747
Energy: 1.9288544722127787
Energy: 1.814527197720045
Energy: 1.9282246164275192
Energy: 1.9048520762646497
Energy: 2.043271842271968
Energy: 1.8996974558341422
Energy: 2.0157092468238074
Energy: 1.840492116837109
Energy: 2.0432718422678264
Energy: 1.8996974558359172
Energy: 2.015709246826174
Energy: 1.8147107166106897
Energy: 1.9316776010771035
Energy: 1.927316185121425
Energy: 1.9876558288168138
Energy: 1.8147107166112815
Energy: 1.9316776010771035
Energy: 1.9273161851220169
Energy: 2.0432543345630085
Energy: 1.8997737305820317
Energy: 1.828356227234592
Energy: 1.8405028991300958
Energy: 2.0432543345659666
Energy: 1.8997737305784816
Energy: 1.8283562272334088

minimum gb energy = 1.7119332644234817 eV
minimum distance =  2.29978315342837 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.797058146458568
Energy: 1.8925879926825195
Energy: 1.816913458303811
Energy: 1.8922259784804545
Energy: 1.7970581464816826
Energy: 1.892587992649499
Energy: 1.8169134582939044
Energy: 1.9698045597458955
Energy: 1.9017024398071427
Energy: 1.7261591322194438
Energy: 1.9008492945370103
Energy: 1.9698045597458955
Energy: 1.9017024398071427
Energy: 1.7261591322227459
Energy: 1.7970098082134125
Energy: 1.767896645701243
Energy: 1.701468246615472
Energy: 1.8565625721269763
Energy: 1.7970098081936
Energy: 1.767896645701243
Energy: 1.701468246605566
Energy: 1.7463789609684703
Energy: 1.9003859694396197
Energy: 1.7359244615481337
Energy: 1.8511183230737969
Energy: 1.7463789609684703
Energy: 1.9003859694462237
Energy: 1.7359244615514355
Energy: 1.7725213822836172
Energy: 1.7522701781051513
Energy: 1.8061207515774713
Energy: 1.7397375299985338
Energy: 1.7725213822869192
Energy: 1.7522701781084533
Energy: 1.806120751564263
Energy: 1.746243996473025
Energy: 1.7371323854413783
Energy: 1.8628395490553935
Energy: 1.814585251625609
Energy: 1.7462439964697232
Energy: 1.737132385438076
Energy: 1.8628395490553935
Energy: 1.7537572678086015
Energy: 1.7520249526632568
Energy: 1.7034927662337724
Energy: 1.7581478737599883
Energy: 1.7537572678184477
Energy: 1.752024952669861
Energy: 1.7034927662239263
Energy: 1.7565888023542418
Energy: 1.7995823305697538
Energy: 1.7708811800854782
Energy: 1.7962011237743472
Energy: 1.7565888023509395
Energy: 1.7995823305598477
Energy: 1.7708811800920825
Energy: 1.7535506469521016
Energy: 1.771317288212749
Energy: 1.8991101793399823
Energy: 1.7455411589527356
Energy: 1.7535506469686122
Energy: 1.771317288219353
Energy: 1.8991101793663985
Energy: 1.7454805700918634
Energy: 1.7996127676927431
Energy: 1.8275324860599278
Energy: 1.8201952488358644
Energy: 1.7454805700918634
Energy: 1.7996127676795348
Energy: 1.827532486050082
Energy: 1.753287538188156
Energy: 1.8092474136928292
Energy: 1.8429552033071044
Energy: 1.74533337396818
Energy: 1.753287538188156
Energy: 1.809247413696131
Energy: 1.842955203317011
Energy: 1.74537912437698
Energy: 1.778331557454913
Energy: 1.7872955313020051
Energy: 1.796827085716531
Energy: 1.7453791243934904
Energy: 1.778331557448309
Energy: 1.787295531311911
Energy: 1.7532824629287396
Energy: 1.733199494296189
Energy: 1.8433272132364706
Energy: 1.7792413185803306
Energy: 1.7532824629254375
Energy: 1.7331994942763767
Energy: 1.8433272132266243
Energy: 1.8007391205426306
Energy: 1.8454983084084084
Energy: 1.822512519032764
Energy: 1.8041207747950099
Energy: 1.8007391205426306
Energy: 1.8454983083952001
Energy: 1.822512519032764
Energy: 1.7531680598123
Energy: 1.7711245303078242
Energy: 1.863828878477163
Energy: 1.8465015673486949
Energy: 1.753168059805696
Energy: 1.7711245303111263
Energy: 1.8638288784837673
Energy: 1.800669243227982
Energy: 1.7785363775900074
Energy: 1.798917159559193
Energy: 1.778899451786246
Energy: 1.8006692432345863
Energy: 1.778536377573497
Energy: 1.798917159559193
Energy: 1.7970614495261863
Energy: 1.8112983598194452
Energy: 1.90837372068719
Energy: 1.7791642262242566
Energy: 1.7970614495261863
Energy: 1.811298359812841
Energy: 1.908373720693794
Energy: 1.7448342811924198
Energy: 1.7779740658367704
Energy: 1.798398127090031
Energy: 1.7437084054866963
Energy: 1.744834281185816
Energy: 1.7779740658400727
Energy: 1.798398127080125
Energy: 1.7966012549485944
Energy: 1.7788961964551502
Energy: 1.8029151496440143
Energy: 1.7950196265156773
Energy: 1.7966012549618027
Energy: 1.778896196448546
Energy: 1.8029151496506184
Energy: 1.7424581309660503
Energy: 1.7742030920291774
Energy: 1.8204362095651108
Energy: 1.7738894500123394
Energy: 1.7424581309561442
Energy: 1.7742030920423855
Energy: 1.8204362095618087
Energy: 1.794828366146816
Energy: 1.7708137480980768
Energy: 1.8012616804323776
Energy: 1.8098108115315414
Energy: 1.794828366150118
Energy: 1.770813748101379
Energy: 1.8012616804389818
Energy: 1.7427807650506366
Energy: 1.7734156367985074
Energy: 1.8330771682885834
Energy: 1.7762643350999845
Energy: 1.7427807650473344
Energy: 1.7734156368018097
Energy: 1.833077168281979
Energy: 1.7948445006890748
Energy: 1.7717399385237433
Energy: 1.9055814810821252
Energy: 1.7887476130356115
Energy: 1.7948445006857725
Energy: 1.7717399385237433
Energy: 1.9055814810953335
Energy: 1.7483976206304166
Energy: 1.8006505969946414
Energy: 1.823518857296422
Energy: 1.7765326055627801
Energy: 1.748397620646927
Energy: 1.8006505969847353
Energy: 1.8235188572997243
Energy: 1.7950468036054292
Energy: 1.8780875819761333
Energy: 1.8746898715658702
Energy: 1.9003826074323509
Energy: 1.7950468036021274
Energy: 1.8780875819761333
Energy: 1.8746898715658702
Energy: 1.7829955258344423
Energy: 1.7787183199543666
Energy: 1.9055383314463337
Energy: 1.73138081345725
Energy: 1.7829955258377443
Energy: 1.7787183199510643
Energy: 1.9055383314529377
Energy: 2.0434685729666677
Energy: 1.878106550416515
Energy: 1.7901185747209671
Energy: 1.9280279893012908
Energy: 2.0434685729765745
Energy: 1.8781065504231191
Energy: 1.7901185747209671
Energy: 1.7832433675527835
Energy: 1.8127573441208453
Energy: 1.8629464612352575
Energy: 1.9143853306692251
Energy: 1.7832433675527835
Energy: 1.8127573441175433
Energy: 1.8629464612484654
Energy: 2.0435238012696515
Energy: 1.8786192176265242
Energy: 1.7560555756420009
Energy: 1.9282562702965604
Energy: 2.043523801279558
Energy: 1.878619217623222
Energy: 1.756055575632095
Energy: 1.7839488447881822
Energy: 1.7786293311908956
Energy: 1.8827271789761004
Energy: 1.7777992739801274
Energy: 1.78394884478488
Energy: 1.7786293311776873
Energy: 1.8827271789529862
Energy: 1.7954991110602863
Energy: 1.9160293290569415
Energy: 1.8367399376113738
Energy: 1.9006725434799228
Energy: 1.7954991110701923
Energy: 1.916029329047035
Energy: 1.836739937617978
Energy: 1.7835621005002211
Energy: 1.7586071367974232
Energy: 1.7781690401598458
Energy: 1.7254097378685262
Energy: 1.7835621005035232
Energy: 1.7586071368040272
Energy: 1.7781690401466974
Energy: 1.795562728774558
Energy: 1.7675320307302522
Energy: 1.8365364119416696
Energy: 1.781646805995771
Energy: 1.7955627287811622
Energy: 1.7675320307335542
Energy: 1.8365364119351257
Energy: 1.8208794933489896
Energy: 1.75820770950656
Energy: 1.8513108597291565
Energy: 1.7682810803405324
Energy: 1.8208794933522918
Energy: 1.7582077095230102
Energy: 1.8513108597093442
Energy: 1.8207299021868377
Energy: 1.759653450423864
Energy: 1.8005266874846104
Energy: 1.7754889104715188
Energy: 1.820729902193442
Energy: 1.7596534504205619
Energy: 1.8005266874813082
Energy: 1.8210338769586012
Energy: 1.7777450808079036
Energy: 1.851017168256068
Energy: 1.8009319084235877
Energy: 1.821033876961903
Energy: 1.7777450808012996
Energy: 1.851017168249464
Energy: 1.8205464964740816
Energy: 1.77511788891122
Energy: 1.817965820959703
Energy: 1.7877806449458924
Energy: 1.8205464964542692
Energy: 1.7751178889145223
Energy: 1.817965820966307
Energy: 1.8247230487403432
Energy: 1.767340435537457
Energy: 1.820205939154536
Energy: 1.8019149718100953
Energy: 1.8247230487568535
Energy: 1.7673404355407594
Energy: 1.8202059391578382
Energy: 1.8210729603291063
Energy: 1.892016081281755
Energy: 1.8698019672435768
Energy: 1.772876726395558
Energy: 1.821072960315898
Energy: 1.8920160812850568
Energy: 1.8698019672435768
Energy: 1.8231770255608488
Energy: 1.8343617406720159
Energy: 1.8441086729375167
Energy: 1.7724539644495896
Energy: 1.8231770255575468
Energy: 1.8343617406720159
Energy: 1.8441086729210063
Energy: 1.9439634391771998
Energy: 1.7744489910055303
Energy: 1.879980476631258
Energy: 1.7728102134546786
Energy: 1.9439634391738976
Energy: 1.7744489910121344
Energy: 1.8799804766477084
Energy: 1.8226679642955668
Energy: 1.793723407096726
Energy: 1.9127627471604933
Energy: 1.7692933467723357
Energy: 1.822667964292265
Energy: 1.7937234071066321
Energy: 1.9127627471604933
Energy: 1.8497416948620502
Energy: 1.7750754793801309
Energy: 1.7934763707766925
Energy: 1.7728958814749343
Energy: 1.849741694855446
Energy: 1.7750754793768289
Energy: 1.7934763707799946
Energy: 1.8191475359044695
Energy: 1.7983298142285873
Energy: 1.8354944325108427
Energy: 1.797265523064897
Energy: 1.8191475359077713
Energy: 1.7983298142351916
Energy: 1.8354944324976346
Energy: 1.7408058867971157
Energy: 1.7755819077240935
Energy: 1.7919300755617427
Energy: 1.7809402438895772
Energy: 1.7408058867806055
Energy: 1.7755819077174897
Energy: 1.7919300755551388

minimum gb energy = 1.701468246605566 eV
minimum distance =  2.26548023844926 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.695226427772525
Energy: 1.4773158067640002
Energy: 2.4957594302400268
Energy: 1.4773158067662333
Energy: 1.695226427772525
Energy: 1.477315806765489
Energy: 2.4957594302400268
Energy: 1.695226427771036
Energy: 1.4773158067662333
Energy: 2.4957594302444934
Energy: 1.4773158067647445
Energy: 1.6952264277680582
Energy: 1.477315806766978
Energy: 2.4957594302430044
Energy: 1.6952264277688027
Energy: 1.4773158067662333
Energy: 1.658045796923675
Energy: 1.477315806766978
Energy: 1.6952264277702918
Energy: 1.477315806766978
Energy: 2.4957594302444934
Energy: 1.695226427772525
Energy: 1.4773158067632557
Energy: 1.6580457967204965
Energy: 1.4773158067647445
Energy: 1.6952264277695472
Energy: 1.4773158067640002
Energy: 2.4957594302415154
Energy: 1.6952264277695472
Energy: 1.477315806766978
Energy: 2.4957594302444934
Energy: 1.477315806766978
Energy: 1.6952264277673137
Energy: 1.477315806766978
Energy: 2.4957594302422597
Energy: 1.6952264277695472
Energy: 1.4773158067647445
Energy: 1.6580457972562936
Energy: 1.477315806766978
Energy: 1.6952264277702918
Energy: 1.4773158067647445
Energy: 2.495759430245983
Energy: 1.6952264277695472
Energy: 1.477315806765489
Energy: 2.4957594302415154
Energy: 1.4773158067662333
Energy: 1.695226427771036
Energy: 1.477315806765489
Energy: 2.4957594302422597
Energy: 1.695226427771036
Energy: 1.4773158067662333
Energy: 1.6580457974840068
Energy: 1.4773158067662333
Energy: 1.695226427772525
Energy: 1.4773158067662333
Energy: 2.4957594302430044
Energy: 1.6952264277702918
Energy: 1.4773158067662333
Energy: 1.524233014593486
Energy: 1.4773158067662333
Energy: 1.695226427772525
Energy: 1.4773158067662333
Energy: 2.4957594302452377
Energy: 1.6952264277702918
Energy: 1.4773158067625112
Energy: 2.4957594302422597
Energy: 1.4773158067647445
Energy: 1.6952264277680582
Energy: 1.4773158067640002
Energy: 2.4957594302422597
Energy: 1.6952264277740139
Energy: 1.4773158067677223
Energy: 1.65804579757629
Energy: 1.4773158067677223
Energy: 1.695226427772525
Energy: 1.477315806766978
Energy: 2.4957594302430044
Energy: 1.695226427771036
Energy: 1.477315806765489
Energy: 1.658045797302452
Energy: 1.4773158067662333
Energy: 1.6952264277732696
Energy: 1.477315806765489
Energy: 2.495759430245983
Energy: 1.6952264277717808
Energy: 1.4773158067640002
Energy: 1.6580457976313485
Energy: 1.4773158067662333
Energy: 1.6952264277673137
Energy: 1.477315806765489
Energy: 1.6580457975852239
Energy: 1.6952264277680582
Energy: 1.4773158067662333
Energy: 2.495759430245983
Energy: 1.4773158067647445
Energy: 1.695226427772525
Energy: 1.4773158067662333
Energy: 2.4957594302422597
Energy: 1.695226427771036
Energy: 1.4773158067662333
Energy: 1.6825339078450432
Energy: 1.4773158067677223
Energy: 1.695226427771036
Energy: 1.4773158067662333
Energy: 1.658045797988569
Energy: 1.695226427771036
Energy: 1.4773158067632557
Energy: 1.5242330145324714
Energy: 1.4773158067647445
Energy: 1.6952264277673137
Energy: 1.4773158067640002
Energy: 1.5242330145183258
Energy: 1.6952264277702918
Energy: 1.477315806766978
Energy: 1.6580457974869847
Energy: 1.4773158067662333
Energy: 1.695226427771036
Energy: 1.477315806766978
Energy: 1.6580457977169312
Energy: 1.695226427771036
Energy: 1.4773158067647445
Energy: 1.8664326535047366
Energy: 1.4773158067662333
Energy: 1.695226427771036
Energy: 1.477315806765489
Energy: 1.5242330144580558
Energy: 1.6952264277732696
Energy: 1.4773158067640002
Energy: 1.8664326535017586
Energy: 1.4773158067662333
Energy: 1.6952264277688027
Energy: 1.4773158067662333
Energy: 1.8664326535039923
Energy: 1.6952264277717808
Energy: 1.4773158067662333
Energy: 1.524233014474401
Energy: 1.4773158067647445
Energy: 1.6952264277732696
Energy: 1.4773158067662333
Energy: 1.5242330144640117

minimum gb energy = 1.4773158067625112 eV
minimum distance =  2.27892652457078 Angstroms
sigma value = 23