Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860195450484753
cohesive_energy=4.280338510564498
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: 0.014961177689537105
Energy: 0.01517693171564412
Energy: 0.015185300302215977
Energy: 1.6765163267027645
Energy: 0.015185300301533738
Energy: 0.01517693171564412
Energy: 0.014961177690009424
Energy: 0.01517693171588028
Energy: 0.015185300301297578
Energy: 1.6765163267027645
Energy: 0.9403404859135773
Energy: 0.017548123774508154
Energy: 0.01818744829689959
Energy: 0.9389970323756743
Energy: 0.01818744829689959
Energy: 0.017548123774744313
Energy: 0.9403404859135773
Energy: 0.017548123775426555
Energy: 0.01818744829689959
Energy: 0.9389970323747558
Energy: 0.014961177688618703
Energy: 0.015176931716798679
Energy: 0.015185300301743657
Energy: 1.6765163267020562
Energy: 0.015185300301533738
Energy: 0.01517693171564412
Energy: 0.014961177690009424
Energy: 0.01517693171632636
Energy: 0.015185300301979817
Energy: 1.6765163267022922
Energy: 0.9403404859142859
Energy: 0.017548123774744313
Energy: 0.01818744829689959
Energy: 0.9389970323756743
Energy: 0.018187448297135752
Energy: 0.017548123774744313
Energy: 0.9403404859138135
Energy: 0.017548123775662717
Energy: 0.01818744829737191
Energy: 0.9389970323747558
Energy: 0.014961177689327185
Energy: 0.01517693171632636
Energy: 0.015185300301533738
Energy: 1.9821700134079414
Energy: 0.015185300301979817
Energy: 0.01517693171632636
Energy: 0.014961177689773264
Energy: 0.0151769317160902
Energy: 0.015185300301297578
Energy: 1.6765163267020562
Energy: 0.9403404859147321
Energy: 0.017548123775190393
Energy: 0.01818744829666343
Energy: 0.9389970323759105
Energy: 0.01818744829598119
Energy: 0.017548123774271993
Energy: 0.9403404859138135
Energy: 0.017548123774035838
Energy: 0.01818744829666343
Energy: 0.9389970323747558
Energy: 0.014961177688618703
Energy: 0.01517693171588028
Energy: 0.015185300302215977
Energy: 2.3893628034143486
Energy: 0.015185300301979817
Energy: 0.01517693171632636
Energy: 0.014961177690009424
Energy: 0.01517693171564412
Energy: 0.015185300301979817
Energy: 2.2460872426695584

minimum gb energy = 0.014961177688618703 eV
minimum distance =  2.32044291450669 Angstroms
sigma value = 3


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

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Energy: 1.6297819864083474
Energy: 1.5638296807338448
Energy: 1.6453183584393076
Energy: 1.5375099482110377
Energy: 1.6043077618496422
Energy: 1.5897295023217035
Energy: 1.629781986407216
Energy: 1.5638296807310164
Energy: 1.6453183584370452
Energy: 1.5939008071931036
Energy: 1.5040453450791724
Energy: 1.5300339245861665
Energy: 1.5746383675095121
Energy: 1.4865518342008164
Energy: 1.4990059130909632
Energy: 1.5939008071919722
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Energy: 1.530033924585601
Energy: 1.5746383675083808
Energy: 1.46433152644151
Energy: 1.508433619658409
Energy: 1.4817403104310953
Energy: 1.5007732159564688
Energy: 1.575774831308581
Energy: 1.5241583473136746
Energy: 1.4643315264449037
Energy: 1.5084336196544499
Energy: 1.4817403104293985
Energy: 1.5007732159570348
Energy: 1.4873658995797054
Energy: 1.5176805515500642
Energy: 1.4068743222621325
Energy: 1.4347834011904443
Energy: 1.4015421083469612
Energy: 1.4985791868110148
Energy: 1.4873658995785741
Energy: 1.5176805515483673
Energy: 1.406874322264395
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Energy: 1.5073618185122615
Energy: 1.425657636587619
Energy: 1.3918594050031112
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Energy: 1.3918594050031112
Energy: 1.4024526160804545
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Energy: 1.423070652151359
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Energy: 1.567040055847519
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Energy: 1.6413317075311193
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Energy: 1.5008638772687182
Energy: 1.4546607654683936
Energy: 1.3953881285073868
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Energy: 1.4546607654672625
Energy: 1.395388128506821
Energy: 1.4411138157859156
Energy: 1.450365862608725
Energy: 1.4781241568500543
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Energy: 1.6502248215517676
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Energy: 1.450365862608725
Energy: 1.478124156848923
Energy: 1.4792605749643761
Energy: 1.5122775088024027
Energy: 1.6695897751077382
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Energy: 1.6695897751077382
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Energy: 1.5601208900897592
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Energy: 1.7550965149933495
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Energy: 1.6117685284937415
Energy: 1.4978459969525666
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Energy: 1.525899995107079
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Energy: 1.4939898994270844
Energy: 1.4978459969508695
Energy: 1.5227859512047142
Energy: 1.5258999951076446
Energy: 1.5344622968969734
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Energy: 1.5086511702532222
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Energy: 1.4500944595080485
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Energy: 1.4244642222217259
Energy: 1.5086511702515253
Energy: 1.3784644788483682
Energy: 1.4243625008510135
Energy: 1.4223199995608753
Energy: 1.504937504951538
Energy: 1.3824301710822857
Energy: 1.509960971981608
Energy: 1.3784644788466711
Energy: 1.424362500850448
Energy: 1.422319999569925
Energy: 1.504937504950407
Energy: 1.4122712700352318
Energy: 1.4083976500899469
Energy: 1.3913509708977958
Energy: 1.4473944016781821
Energy: 1.4476917904113684
Energy: 1.4974013177954715
Energy: 1.412271270033535
Energy: 1.4083976500893811
Energy: 1.3913509708977958
Energy: 1.4473944016787479
Energy: 1.4100667098114532
Energy: 1.421237015380528
Energy: 1.5418690444851444
Energy: 1.459335964343641
Energy: 1.5053281154960036
Energy: 1.396482714704202
Energy: 1.410066709813716
Energy: 1.4212370153793967
Energy: 1.5418690444851444
Energy: 1.4593359643408133
Energy: 1.477968001821176
Energy: 1.4765414699432124
Energy: 1.5190229443779697
Energy: 1.4594696672830452
Energy: 1.5103086838702287
Energy: 1.5691253567519337
Energy: 1.477968001820045
Energy: 1.4765414699460404
Energy: 1.5190229443796668
Energy: 1.4594696672858731
Energy: 1.5988825856086852
Energy: 1.5484586200519312
Energy: 1.6297205581710628
Energy: 1.630805212523743
Energy: 1.50528175979882
Energy: 1.4737865061143414
Energy: 1.5988825856069884
Energy: 1.5484586200536279
Energy: 1.6297205581699312
Energy: 1.630805212522612
Energy: 1.5705628886413239
Energy: 1.5402922537891883
Energy: 1.5508383800146275
Energy: 1.5444407544808203
Energy: 1.5737441493308597
Energy: 1.5638296807344103
Energy: 1.5705628886430205
Energy: 1.5402922537874917
Energy: 1.550838380014062
Energy: 1.5444407544796892
Energy: 1.5746383675095121
Energy: 1.486551834201382
Energy: 1.4990059130932256
Energy: 1.5939008071942349
Energy: 1.504045345079738
Energy: 1.5300339245867323
Energy: 1.5746383675066842
Energy: 1.486551834201382
Energy: 1.499005913089832
Energy: 1.5939008071936693
Energy: 1.4779680018177825
Energy: 1.5757748313097122
Energy: 1.5241583473148057
Energy: 1.4643315264449037
Energy: 1.5084336196561468
Energy: 1.4817403104316609
Energy: 1.4779680018183483
Energy: 1.5757748313068844
Energy: 1.5241583473125433
Energy: 1.464331526443207
Energy: 1.4347834011910097
Energy: 1.4015421083469612
Energy: 1.4951572842798833
Energy: 1.487365899577443
Energy: 1.517680551548933
Energy: 1.4068743222632638
Energy: 1.4347834011887475
Energy: 1.4015421083463955
Energy: 1.4951572842815801
Energy: 1.4873658995785741

minimum gb energy = 1.3784644788466711 eV
minimum distance =  2.22573302593292 Angstroms
sigma value = 75


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

Energy: 1.8578465303929834
Energy: 1.8042443324919377
Energy: 1.7464873779067067
Energy: 1.8502440932519568
Energy: 1.9094700090233057
Energy: 1.7646397095219826
Energy: 1.8578465303940874
Energy: 1.804244332489454
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Energy: 1.5266141770404469
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Energy: 1.64050936935441
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Energy: 1.640509369354686
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Energy: 1.4600453948090248
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Energy: 1.4986008454276978
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Energy: 1.4909522442507186
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Energy: 1.6420617085684306
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Energy: 1.6413464933407969
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minimum gb energy = 1.4294628228372461 eV
minimum distance =  2.20935628218681 Angstroms
sigma value = 105


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

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Energy: 1.5487674491228642
Energy: 1.4937514161864045
Energy: 1.6404997475564844
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Energy: 1.820430178821152
Energy: 1.8296422271593618
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Energy: 1.7382928987250679
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Energy: 1.8071337490492683
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Energy: 1.6081164360373903
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Energy: 1.8900026873134825
Energy: 1.5579230855364958
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Energy: 1.642968555213966
Energy: 1.7810639977677793
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Energy: 1.5579230855364958
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Energy: 1.642968555213966
Energy: 1.5101239035789211
Energy: 1.659749755786432
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Energy: 1.659749755786432
Energy: 1.613742847727888
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Energy: 1.4246103345752523
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Energy: 1.6668565228242196
Energy: 1.4639164581992952
Energy: 1.4343160950936582
Energy: 1.4092997010641524
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Energy: 1.5555647168298483
Energy: 1.7528021259557793
Energy: 1.5759049839030528
Energy: 1.5423641968916955
Energy: 1.5094845440010463
Energy: 1.7506637864155417
Energy: 1.5555647168307825
Energy: 1.752802125957336
Energy: 1.7522862958395777
Energy: 1.755770542020371
Energy: 1.6827439340748784
Energy: 1.8077186447934397
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Energy: 1.6146449095544595
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Energy: 1.6470619072418569
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Energy: 1.7187800170582204
Energy: 1.4936107473472857
Energy: 1.6146449095535254
Energy: 1.4879749306202545
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Energy: 1.4879749306215004
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Energy: 1.7201837852554718
Energy: 1.6493340143833637
Energy: 1.4853223214246387
Energy: 1.5228748788404898
Energy: 1.6176497979850717
Energy: 1.450941558063431
Energy: 1.649377998039203
Energy: 1.6839218804797031
Energy: 1.4853223214261957
Energy: 1.5228748788398672
Energy: 1.6176497979863174
Energy: 1.4509415580637424
Energy: 1.7578613337513496
Energy: 1.771939439316076
Energy: 1.7977408565110649
Energy: 1.5116921055356227
Energy: 1.5104567491536227
Energy: 1.4922344159255418
Energy: 1.7578613337507267
Energy: 1.7719394393185386
Energy: 1.7977408565110649
Energy: 1.5116921055343775
Energy: 1.6554443801806318
Energy: 1.7256916723378017
Energy: 1.7517665831331295
Energy: 1.6574798378546172
Energy: 1.7711551000677113
Energy: 1.7756187754907815
Energy: 1.6554443801803205
Energy: 1.7256916723371791
Energy: 1.7517665831349978
Energy: 1.6574798378549285
Energy: 1.7215129413166634
Energy: 1.5493199748877204
Energy: 1.6328713696571335
Energy: 1.5888814169523278
Energy: 1.7438656714051102
Energy: 1.5412548719692776
Energy: 1.7215129413166634
Energy: 1.5493199748874091
Energy: 1.6328713696583794
Energy: 1.5888814169513936
Energy: 1.7659713144967097
Energy: 1.478193094310366
Energy: 1.6182069458612511
Energy: 1.460341635276457
Energy: 1.630729014241408
Energy: 1.6545550885088394
Energy: 1.7659713144979552
Energy: 1.4781930943091208
Energy: 1.6182069458624966
Energy: 1.4603416352761458
Energy: 1.4518673880601858
Energy: 1.5452261463232835
Energy: 1.4973769789771758
Energy: 1.6716218822027864
Energy: 1.6677262987385326
Energy: 1.4549793910707782
Energy: 1.451867388060497
Energy: 1.5452261463214152
Energy: 1.4973769789777984
Energy: 1.671621882203098
Energy: 1.8071798537720527
Energy: 1.5340803167849308
Energy: 1.520636431444201
Energy: 1.5661390542670552
Energy: 1.4951819770901968
Energy: 1.6478907457300775
Energy: 1.8071798537717414
Energy: 1.5340803167830626
Energy: 1.5206364314448235
Energy: 1.566139054266744

minimum gb energy = 1.4092997010641524 eV
minimum distance =  2.22465910699991 Angstroms
sigma value = 165


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

Energy: 1.470865809957305
Energy: 1.723188750644263
Energy: 1.4322141316067467
Energy: 1.9468239241481238
Energy: 1.4323895586164699
Energy: 1.7231165953839942
Energy: 1.470865809957305
Energy: 1.7231887506453318
Energy: 1.4322141316088846
Energy: 1.9468239241481238
Energy: 1.7555498975246455
Energy: 1.6957125272420919
Energy: 1.4478888201817228
Energy: 1.5229918862979444
Energy: 1.3934476499017956
Energy: 1.440344769561593
Energy: 1.7555498975246455
Energy: 1.6957125272420919
Energy: 1.447888820182792
Energy: 1.5229918862990133
Energy: 1.3174616238044767
Energy: 1.5189321737217467
Energy: 1.4341505157977588
Energy: 1.3860684245219552
Energy: 1.467178114598041
Energy: 1.5157879847782747
Energy: 1.3174616238055457
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Energy: 1.4341505157977588
Energy: 1.3860684245219552
Energy: 1.4418962530641364
Energy: 1.6280841632544918
Energy: 1.51894430412257
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Energy: 1.6280841632555607
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Energy: 1.3170829534204465
Energy: 1.511124522177063
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Energy: 1.9407490767404938
Energy: 1.808384138524268
Energy: 1.6444345681647163
Energy: 1.7739167562638156
Energy: 1.6916596929277483
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Energy: 1.8530967294579725
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Energy: 1.8530967294579725
Energy: 1.8777958813951576
Energy: 1.3861827499259005
Energy: 1.425425749807025
Energy: 1.418964268822837
Energy: 1.388773603306572
Energy: 1.404084069680545
Energy: 1.432300968906209
Energy: 1.4381248270292193
Energy: 1.4254257498080942
Energy: 1.418964268821768
Energy: 1.388773603306572
Energy: 1.4040840696794763
Energy: 1.468516102496415
Energy: 1.692917444636584
Energy: 1.7744063682031712
Energy: 1.6445049553219817
Energy: 1.4480555258191832
Energy: 1.7558632226515463
Energy: 1.468516102496415
Energy: 1.692917444636584
Energy: 1.7744063682031712
Energy: 1.6445049553219817
Energy: 1.808438201714675
Energy: 1.9406158475832949
Energy: 1.44692653757834
Energy: 1.5111596674542038
Energy: 1.4624066514951184
Energy: 1.623285091119974
Energy: 1.808438201714675
Energy: 1.9406158475811566
Energy: 1.44692653757834
Energy: 1.511159667452066
Energy: 1.3171698761021529
Energy: 1.5190611541707042
Energy: 1.628081393321023
Energy: 1.442808108133546
Energy: 1.4306407599782494
Energy: 1.429069127741508
Energy: 1.317169876103222
Energy: 1.5190611541707042
Energy: 1.628081393321023
Energy: 1.442808108133546
Energy: 1.3868951913318788
Energy: 1.4341505157966894
Energy: 1.5189339038192886
Energy: 1.3174648711876065
Energy: 1.5157879847782747
Energy: 1.4673450550337706
Energy: 1.3868951913318788
Energy: 1.4341505157966894
Energy: 1.5189339038182197
Energy: 1.3174648711876065
Energy: 1.528034503424643
Energy: 1.4479706171494873
Energy: 1.6954730652099352
Energy: 1.7553826197011086
Energy: 1.4246348424464137
Energy: 1.4303051518512984
Energy: 1.528034503424643
Energy: 1.4479706171494873
Energy: 1.695473065208866
Energy: 1.7553826197021773
Energy: 1.699992004820611
Energy: 1.4323895586154012
Energy: 1.7231165953839942
Energy: 1.470865809957305
Energy: 1.7231887506453318
Energy: 1.4322141316078159
Energy: 1.699992004820611
Energy: 1.4323895586154012
Energy: 1.7231165953839942
Energy: 1.470865809957305

minimum gb energy = 1.3170829534193775 eV
minimum distance =  2.24995172763045 Angstroms
sigma value = 41


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

Energy: 1.9789361613011243
Energy: 1.7191483776490468
Energy: 1.3284360209916106
Energy: 1.9521890635083556
Energy: 1.324920860193392
Energy: 1.6044265880630497
Energy: 1.978936161301539
Energy: 1.7191483776482175
Energy: 1.3284360209924402
Energy: 1.9521890635083556
Energy: 1.7259654729159897
Energy: 1.5485746774702285
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Energy: 1.3242208646907567
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Energy: 1.2561158800705885
Energy: 1.2580190033245806
Energy: 1.520163181231552
Energy: 1.4313747284983283
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Energy: 1.475957389191564
Energy: 1.2561158800710028
Energy: 1.258019003324166
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Energy: 1.4313747284995724
Energy: 1.7172797308230525
Energy: 1.464217482375446
Energy: 1.2747147717429785
Energy: 1.3450192737108635
Energy: 1.576021198329806
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Energy: 1.7172797308234673
Energy: 1.4642174823742018
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Energy: 1.345019273711693
Energy: 1.6480511582118493
Energy: 1.8357231905589413
Energy: 1.5815119326632523
Energy: 1.3300065728052206
Energy: 1.6163869114136487
Energy: 1.324330427328496
Energy: 1.6480511582118493
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Energy: 1.3300065728056354
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Energy: 1.6953870135383786
Energy: 1.548562465018834
Energy: 1.324889896573202
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Energy: 1.695387013537549
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Energy: 1.4943732404596537
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Energy: 1.2562882163800264
Energy: 1.6898770456151604
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Energy: 1.3496801567723433
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Energy: 1.2562882163804412
Energy: 1.6898770456159897
Energy: 1.3244586090291763
Energy: 1.7770163251335584
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Energy: 1.2807476646781248
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Energy: 1.2329382776375415
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Energy: 1.3258690099073855
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Energy: 1.255884112614059
Energy: 1.4951803720573682
Energy: 1.3243750324986572
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Energy: 1.3040236721020628
Energy: 1.3246371171004467
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Energy: 1.3242482800254973
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Energy: 1.4199963548164594
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Energy: 1.394049806912093
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Energy: 1.3313648806417622
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Energy: 1.6780987689507163
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Energy: 1.3313648806417622
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Energy: 1.3449826321395533
Energy: 1.4780881124492011
Energy: 1.6328524104330546
Energy: 1.4292439090574467
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Energy: 1.264335585764442
Energy: 1.3449826321407974
Energy: 1.4780881124492011
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Energy: 1.4292439090578613
Energy: 1.5143511005777788
Energy: 1.6300077634067127
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Energy: 1.3802181787697017
Energy: 1.4237981204513996
Energy: 1.3487540998601586
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Energy: 1.3392135210073666
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Energy: 1.3248461100597668
Energy: 1.7658022091778425
Energy: 1.3240896320973254
Energy: 1.656101410297074
Energy: 1.6285692820365207
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Energy: 1.8561836323249463
Energy: 1.7658022091778425
Energy: 1.324089632096496
Energy: 1.6561014102974885
Energy: 1.6285692820373503
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Energy: 1.361774085069519
Energy: 1.4271354282661297
Energy: 1.3454595837134058
Energy: 1.3397036592121039
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Energy: 1.4271354282669593
Energy: 1.345459583712991
Energy: 1.3070285639576638
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Energy: 1.6766382025098516
Energy: 1.306740110017942
Energy: 1.3070285639568342
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Energy: 1.3635654960088421
Energy: 1.4793834163269262
Energy: 1.9215949618356392
Energy: 1.5193517994279917
Energy: 1.378674392324629
Energy: 1.5166592117762543
Energy: 1.3278968381024472
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Energy: 1.9215949618343948
Energy: 1.519351799425918
Energy: 1.3786743923242142
Energy: 1.5166592117758395
Energy: 1.980842046324826
Energy: 1.7021353624946478
Energy: 1.3244852679741017
Energy: 1.6386345777844826
Energy: 1.8113690918982945
Energy: 1.5978722621959316
Energy: 1.9808420463239964
Energy: 1.7021353624946478
Energy: 1.3244852679736872
Energy: 1.6386345777836533
Energy: 1.186941459001211
Energy: 1.569854773000416
Energy: 1.3255908714384363
Energy: 1.5124446936704299
Energy: 1.3485203951636024
Energy: 1.3395310556684428
Energy: 1.1869414590016258
Energy: 1.5698547730294097
Energy: 1.325590871437607
Energy: 1.5124446936708447
Energy: 1.303705230764942
Energy: 1.256538016113253
Energy: 1.5081522728127577
Energy: 1.3488721735516782
Energy: 1.4593928756938233
Energy: 1.4859497129189319
Energy: 1.3037052307641126
Energy: 1.256538016113253
Energy: 1.5081522728127577
Energy: 1.3488721735512639
Energy: 1.7421450411937665
Energy: 1.8303493145009273
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Energy: 1.3240738038255921
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Energy: 1.8303493145005125
Energy: 1.414413243360715
Energy: 1.345511691722384
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Energy: 1.8341268901592924
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Energy: 1.3244623700032707
Energy: 1.8403963603408298
Energy: 1.3255371346398797
Energy: 1.6122570367294853
Energy: 1.8341268901592924
Energy: 1.719634211549515
Energy: 1.3244623700036857
Energy: 1.348180080125122
Energy: 1.7380419542042347
Energy: 1.50541544388225
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Energy: 1.5018926491232134
Energy: 1.344984314540737
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Energy: 1.7380419542042347
Energy: 1.5054154438814205
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Energy: 1.3026117683298082
Energy: 1.2567285777647357
Energy: 1.5203150495732136
Energy: 1.4098916642752932
Energy: 1.438378333838427
Energy: 1.5203150495744582
Energy: 1.3026117683293934
Energy: 1.256728577763906
Energy: 1.5203150495732136
Energy: 1.3241681428986347
Energy: 1.7608725918938337
Energy: 1.8303281772775826
Energy: 1.3490939651497293
Energy: 1.3450141617328284
Energy: 1.5856871574801052
Energy: 1.32416814289822
Energy: 1.7608725918930044
Energy: 1.8303281772775826
Energy: 1.3490939651509737
Energy: 1.3243820886234847
Energy: 1.645733729313302
Energy: 1.83410875913481
Energy: 1.5883297709903175
Energy: 1.3281467855550633
Energy: 1.843615293256515
Energy: 1.3243820886251436
Energy: 1.6457337293128873
Energy: 1.8341087591343956
Energy: 1.588329770991147
Energy: 1.3488819303827002
Energy: 1.4144132433582266
Energy: 1.711308995257127
Energy: 1.5483737874771235
Energy: 1.3240842432663809
Energy: 1.5390521077231207
Energy: 1.3488819303822854
Energy: 1.4144132433598855
Energy: 1.7113089952562974
Energy: 1.5483737874771235
Energy: 1.349257650421054
Energy: 1.5081522728131722
Energy: 1.2561738629852235
Energy: 1.2560373500284756
Energy: 1.4859497129201762
Energy: 1.5248203055589324
Energy: 1.349257650421054
Energy: 1.5081522728144168
Energy: 1.2561738629839794
Energy: 1.2560373500288902
Energy: 1.5820116211607769
Energy: 1.3243942648020868
Energy: 1.4871795945107598
Energy: 1.2605901918798372
Energy: 1.323449226503438
Energy: 1.348690001439767
Energy: 1.5820116211611919
Energy: 1.324394264801672
Energy: 1.4871795945082713
Energy: 1.2605901918794227
Energy: 1.6376639370470552
Energy: 1.3243482482953373
Energy: 1.6064847716712805
Energy: 1.9807219127738132
Energy: 1.6594872725480887
Energy: 1.7611136577920994
Energy: 1.6376639370466406
Energy: 1.3243482482957518
Energy: 1.6064847716700361
Energy: 1.980721912772569
Energy: 1.4872176652440634
Energy: 1.3640216281876396
Energy: 1.5193517994449957
Energy: 1.8113957672097927
Energy: 1.550413457286853
Energy: 1.3278338328955943
Energy: 1.4872176652448927
Energy: 1.3640216281880542
Energy: 1.5193517994462398
Energy: 1.8113957672097927

minimum gb energy = 1.186941459001211 eV
minimum distance =  2.2020648940561 Angstroms
sigma value = 185


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

Energy: 1.800615766094366
Energy: 1.9348156485901955
Energy: 1.735730408019919
Energy: 1.973686842928446
Energy: 1.696142475283286
Energy: 1.761097645477062
Energy: 1.8006157660948583
Energy: 1.9348156485897032
Energy: 1.735730408019919
Energy: 1.9736868429289383
Energy: 1.8350414681487874
Energy: 1.5346434682934174
Energy: 1.3696352479062617
Energy: 1.4351472149963262
Energy: 1.2676205278609376
Energy: 1.3016020123442018
Energy: 1.8350414681507565
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Energy: 1.4351472149978033
Energy: 1.6248886989288487
Energy: 1.2668112232798403
Energy: 1.7262062677401682
Energy: 1.7717919727759541
Energy: 1.2672861121391017
Energy: 1.4948109131504639
Energy: 1.6248886989283564
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Energy: 1.7262062677411527
Energy: 1.771791972774477
Energy: 1.498850236184891
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Energy: 1.4724872231783517
Energy: 1.3817656248592778
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Energy: 1.3817656248592778
Energy: 2.037110162481754
Energy: 1.271705033460206
Energy: 1.6436311002021577
Energy: 1.232347106545496
Energy: 1.7269148193452668
Energy: 1.7161954505682897
Energy: 2.037110162481754
Energy: 1.2717050334611906
Energy: 1.6436311002056039
Energy: 1.232347106545496
Energy: 1.3405314280485616
Energy: 1.7021846602645687
Energy: 1.6686035204633929
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Energy: 1.2665365966041833
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Energy: 1.4701645477450824
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Energy: 1.6985937801203588
Energy: 1.3411012745046167
Energy: 1.683605591500762
Energy: 1.5312608877168112
Energy: 1.3695797201740982
Energy: 2.015686289103371
Energy: 1.7120082736103408
Energy: 1.6278062822798995
Energy: 1.6836055915002697
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Energy: 1.3819982659054086
Energy: 1.4107372856243658
Energy: 1.267386494632482
Energy: 1.7831315023299674
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Energy: 1.807263038887935
Energy: 1.381998265905901
Energy: 1.4107372856263354
Energy: 1.2673864946300204
Energy: 1.7831315023294751
Energy: 1.8433031348050823
Energy: 1.7695910377637747
Energy: 1.2669880727783305
Energy: 1.5558168213187442
Energy: 1.6421873552346882
Energy: 1.2674466968195073
Energy: 1.8433031348070514
Energy: 1.7695910377637747
Energy: 1.2669880727798073
Energy: 1.5558168213177597
Energy: 1.5021496648027013
Energy: 1.2719361657125579
Energy: 1.7796306289430577
Energy: 1.746561310804791
Energy: 1.29202619540769
Energy: 1.2670224408079263
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Energy: 1.7796306289450268
Energy: 1.746561310803314
Energy: 1.915337986295153
Energy: 1.7401379319629708
Energy: 1.8229759616685717
Energy: 1.7122725990457994
Energy: 1.9677967357376664
Energy: 1.7357304080194267
Energy: 1.9153379862956452
Energy: 1.7401379319614938
Energy: 1.822975961666602
Energy: 1.7122725990457994
Energy: 1.4351472149968187
Energy: 1.267620527859953
Energy: 1.2920261954091667
Energy: 1.834533796791956
Energy: 1.5346434682934174
Energy: 1.3696352479057692
Energy: 1.435147214997311
Energy: 1.267620527859953
Energy: 1.29202619540769
Energy: 1.8345337967909712
Energy: 1.7400347815721309
Energy: 1.2672861121376249
Energy: 1.4871462445642332
Energy: 1.6248886989273719
Energy: 1.2671749037689535
Energy: 1.769591037764267
Energy: 1.7400347815741002
Energy: 1.2672861121395942
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Energy: 1.6248886989293412
Energy: 1.3818376838114
Energy: 1.8016046175416833
Energy: 1.6824430557931014
Energy: 1.6227478286579384
Energy: 1.267098808209144
Energy: 1.488743720485399
Energy: 1.3818376838118924
Energy: 1.801604617541191
Energy: 1.682443055795563
Energy: 1.6227478286559693
Energy: 1.2323471065573113
Energy: 1.8917555795743775
Energy: 1.7119777857090062
Energy: 2.037110162481754
Energy: 1.271705033460206
Energy: 1.6436311002031423
Energy: 1.2323471065573113
Energy: 1.8917555795738852
Energy: 1.7119777857085139
Energy: 2.0371101624812615
Energy: 1.2665365966022137
Energy: 1.4683280904380511
Energy: 1.5249899741829758
Energy: 1.3456607074239284
Energy: 1.7021846602655535
Energy: 1.6454918358986543
Energy: 1.2665365966046755
Energy: 1.4683280904385434
Energy: 1.5249899741810065
Energy: 1.3456607074249132
Energy: 1.3411012745065858
Energy: 1.5561585010212529
Energy: 1.4701645477455747
Energy: 1.2665902739674428
Energy: 1.6686035204624083
Energy: 1.7244769297504159
Energy: 1.3411012745056012
Energy: 1.5561585010212529
Energy: 1.47016454774459
Energy: 1.2665902739659658
Energy: 2.018270564361221
Energy: 1.716293020171691
Energy: 1.5920295192065466
Energy: 1.6836055915002697
Energy: 1.5196554670238782
Energy: 1.3698968422770312
Energy: 2.0182705643626977
Energy: 1.716293020169722
Energy: 1.5920295192085157
Energy: 1.6836055914997774
Energy: 1.6947645148002726
Energy: 1.7098940862269467
Energy: 1.8072630388918736
Energy: 1.3819982659054086
Energy: 1.4107372856238736
Energy: 1.2673864946305127
Energy: 1.6947645148017496
Energy: 1.709894086227439
Energy: 1.8072630388913813
Energy: 1.381998265904424
Energy: 1.5534669878700549
Energy: 1.6421873552346882
Energy: 1.2672300078541467
Energy: 1.8433031348065592
Energy: 1.7262062677421375
Energy: 1.2669880727798073
Energy: 1.5534669878671012
Energy: 1.642187355234196
Energy: 1.2672300078531622
Energy: 1.8433031348055746
Energy: 1.7136561523896543
Energy: 1.3016020123432173
Energy: 1.267167489130463
Energy: 1.4354432962397248
Energy: 1.2736473953838405
Energy: 1.7533421602833132
Energy: 1.713656152390639
Energy: 1.3016020123461711
Energy: 1.2671674891294784
Energy: 1.4354432962407093
Energy: 1.800615766094366
Energy: 1.9348156485897032
Energy: 1.7357304080204115
Energy: 1.9380001956564772
Energy: 1.6961424752823013
Energy: 1.7436771671391742
Energy: 1.800615766094366
Energy: 1.9348156485897032
Energy: 1.735730408019919
Energy: 1.9380001956569697
Energy: 1.8350414681487874
Energy: 1.5346434682939096
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Energy: 1.4351472149963262
Energy: 1.26762052786143
Energy: 1.3016020123442018
Energy: 1.8350414681507565
Energy: 1.5346434682939096
Energy: 1.3696352479072462
Energy: 1.4351472149978033
Energy: 1.6248886989283564
Energy: 1.2668112232798403
Energy: 1.7262062677401682
Energy: 1.7717919727754619
Energy: 1.2672861121391017
Energy: 1.4948109131499716
Energy: 1.6248886989278641
Energy: 1.2668112232803326
Energy: 1.7262062677411527
Energy: 1.7717919727739846
Energy: 1.498850236184891
Energy: 1.267127373653203
Energy: 1.4724872231768749
Energy: 1.3817656248602623
Energy: 1.7597632535998606
Energy: 1.6893972482002209
Energy: 1.4988502361858758
Energy: 1.2671273736536954
Energy: 1.4724872231763826
Energy: 1.3817656248602623
Energy: 2.0371101624807695
Energy: 1.2717050334597138
Energy: 1.6436311002036346
Energy: 1.2323471065730653
Energy: 1.7269148193472361
Energy: 1.7161954505677974
Energy: 2.0371101624812615
Energy: 1.2717050334606983
Energy: 1.6436311002041268
Energy: 1.2323471065715883
Energy: 1.3383433422835391
Energy: 1.702184660265061
Energy: 1.6415956684505855
Energy: 1.2665365966051678
Energy: 1.467157373972734
Energy: 1.5275044967219786
Energy: 1.3383433422805855
Energy: 1.702184660266538
Energy: 1.6415956684496005
Energy: 1.266536596603691
Energy: 1.2666054356081005
Energy: 1.6454918359006236
Energy: 1.698593780122328
Energy: 1.3411012745238167
Energy: 1.5545543293964523
Energy: 1.4701645477440977
Energy: 1.2666054356071157
Energy: 1.6454918358991466
Energy: 1.6985937801203588
Energy: 1.3411012745223398
Energy: 1.6836055915002697
Energy: 1.5312608877158267
Energy: 1.3695797201750828
Energy: 2.015686289103863
Energy: 1.7120082736103408
Energy: 1.627806283144971
Energy: 1.683605591500762
Energy: 1.531260887712873
Energy: 1.3695797201760678
Energy: 2.0156862891023866
Energy: 1.381998265904424
Energy: 1.4107372856248581
Energy: 1.2673864946319897
Energy: 1.7831315023289829
Energy: 1.7287948962629394
Energy: 1.8072630388943351
Energy: 1.381998265905901
Energy: 1.4107372856248581
Energy: 1.2673864946300204
Energy: 1.7831315023294751
Energy: 1.8433031348050823
Energy: 1.7695910377637747
Energy: 1.2669880727783305
Energy: 1.555816821319729
Energy: 1.6421873552346882
Energy: 1.2674466968185227
Energy: 1.8433031348070514
Energy: 1.7695910377637747
Energy: 1.266988072780792
Energy: 1.555816821318252
Energy: 1.502149664802209
Energy: 1.2719361657125579
Energy: 1.7796306289450268
Energy: 1.746561310804791
Energy: 1.2920261954052283
Energy: 1.267022440807434
Energy: 1.502149664804178
Energy: 1.2719361657125579
Energy: 1.779630628946996
Energy: 1.746561310804791

minimum gb energy = 1.232347106545496 eV
minimum distance =  2.17365447687269 Angstroms
sigma value = 33


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

Energy: 1.410213417743982
Energy: 1.880859883950819
Energy: 1.4424732601940566
Energy: 1.952672138866379
Energy: 1.442461870825498
Energy: 1.8806543014275132
Energy: 1.410213417743171
Energy: 1.880859883950819
Energy: 1.4424732601924353
Energy: 1.9526721388661086
Energy: 1.8327916790529126
Energy: 1.5361997877368334
Energy: 1.3893962083839488
Energy: 1.3823653617806078
Energy: 1.2783111009405574
Energy: 1.3470718052644814
Energy: 1.832791679053183
Energy: 1.5361997877371036
Energy: 1.3893962083850298
Energy: 1.3823653617795268
Energy: 1.6694954256986114
Energy: 1.339941314328305
Energy: 1.608593429338624
Energy: 1.8346806049483508
Energy: 1.3385399084374396
Energy: 1.3837406315860061
Energy: 1.669495425700233
Energy: 1.3399413143307373
Energy: 1.6085934293378132
Energy: 1.8346806049488913
Energy: 1.4481552883131588
Energy: 1.3394094791932734
Energy: 1.3635502007080884
Energy: 1.376604587173699
Energy: 1.3690197969387512
Energy: 1.8098887189400568
Energy: 1.4481552883145103
Energy: 1.3394094791924624
Energy: 1.3635502007086289
Energy: 1.3766045871723476
Energy: 1.3564369169978703
Energy: 1.3149562309196623
Energy: 1.4485697713188521
Energy: 1.7871179975422142
Energy: 1.3761462665778341
Energy: 1.376305822757214
Energy: 1.3564369169989514
Energy: 1.3149562309191216
Energy: 1.4485697713210142
Energy: 1.7871179975438358
Energy: 1.7543086102623333
Energy: 1.314903244085802
Energy: 1.66953948477374
Energy: 1.383844838747273
Energy: 1.330484411667675
Energy: 1.8342353861166385
Energy: 1.7543086102628738
Energy: 1.314903244087964
Energy: 1.6695394847745508
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Energy: 1.3977162308875788
Energy: 1.8417712990551078
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Energy: 1.2784089184419931
Energy: 1.3832006795898082
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Energy: 1.3977162308894706
Energy: 1.8417712990556483
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Energy: 1.7494432304756526
Energy: 1.4105504094455734
Energy: 1.7612624247075053
Energy: 1.442238959067071
Energy: 1.397628363719563
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Energy: 1.7612624247075053
Energy: 1.2783719293913776
Energy: 1.3907610454387607
Energy: 1.8109294553929542
Energy: 1.332680278625555
Energy: 1.389420855239564
Energy: 1.5112146667395554
Energy: 1.2783719293913776
Energy: 1.3907610454374095
Energy: 1.8109294553926838
Energy: 1.3326802750969646
Energy: 1.4051709824665746
Energy: 1.383440049059158
Energy: 1.682842838689155
Energy: 1.3151556212610358
Energy: 1.607518010882761
Energy: 1.8346305052380059
Energy: 1.4051709824663041
Energy: 1.3834400490586176
Energy: 1.6828428386907768
Energy: 1.3151556212629274
Energy: 1.7060103206976636
Energy: 1.4337383847797713
Energy: 1.7278229326316448
Energy: 1.3465637384210316
Energy: 1.3628668030127693
Energy: 1.3792871533490343
Energy: 1.7060103206976636
Energy: 1.4337383847803116
Energy: 1.7278229326308339
Energy: 1.3465637384202207
Energy: 1.37612501780702
Energy: 1.376214837589832
Energy: 1.3568792960108933
Energy: 1.315666559431774
Energy: 1.4487530415685397
Energy: 1.7868490431789552
Energy: 1.3761250178083713
Energy: 1.376214837589832
Energy: 1.3568792960103528
Energy: 1.3156665594304227
Energy: 1.280168464090736
Energy: 1.7295874579718373
Energy: 1.7932334332972544
Energy: 1.241415733663893
Energy: 1.6696353239397859
Energy: 1.384430445852721
Energy: 1.2801684640904658
Energy: 1.7295874579710266
Energy: 1.7932334332975246
Energy: 1.2414157336614602
Energy: 1.2786887858720364
Energy: 1.3882501718492999
Energy: 1.3894043342124833
Energy: 1.3975727045786004
Energy: 1.8531311156853172
Energy: 1.346982075431316
Energy: 1.2786887858706852
Energy: 1.388250171850381
Energy: 1.389404334213024
Energy: 1.3975727045802218
Energy: 1.441785912716569
Energy: 1.395100554900439
Energy: 1.4422060734402642
Energy: 1.7496901134539105
Energy: 1.4073252603529514
Energy: 1.8055506616743697
Energy: 1.4417859127184607
Energy: 1.395100554900439
Energy: 1.4422060734402642
Energy: 1.7496901134544511
Energy: 1.3894708545926915
Energy: 1.5120007848034387
Energy: 1.2783317302683497
Energy: 1.3936440997836181
Energy: 1.7352815978887235
Energy: 1.3977012624163356
Energy: 1.3894708545921508
Energy: 1.512000784802628
Energy: 1.2783317302683497
Energy: 1.393644099782537
Energy: 1.5330357804071708
Energy: 1.825973942660175
Energy: 1.3530108599218647
Energy: 1.3833845525561468
Energy: 1.397241159266864
Energy: 1.3154499704003497
Energy: 1.5330357804082517
Energy: 1.8259739426617967
Energy: 1.3530108599215944
Energy: 1.3833845525545252
Energy: 1.363582661730196
Energy: 1.3781303647724321
Energy: 1.7062295189247934
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Energy: 1.49963582423341
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Energy: 1.4341413473339897
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Energy: 1.8645594906153313
Energy: 1.3764410244888148
Energy: 1.3763738835609012
Energy: 1.6716127357870185
Energy: 1.3769186021785935

minimum gb energy = 1.2409384089704467 eV
minimum distance =  2.22688733578001 Angstroms
sigma value = 219


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

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Energy: 1.4001531904270497
Energy: 1.318987437437406
Energy: 1.9648813193021233
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Energy: 1.262162235656771
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Energy: 1.3753254890116047
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Energy: 1.3698656172285861
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Energy: 1.2081562274917979
Energy: 1.3753254890116047
Energy: 1.3173471411976334
Energy: 1.3698656172285861
Energy: 1.6017856430297812
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Energy: 1.4724026786261941
Energy: 1.6017856430297812
Energy: 1.3396188819734942
Energy: 1.3186769091917172
Energy: 1.515421819630823

minimum gb energy = 1.2080943742302592 eV
minimum distance =  2.28943018117156 Angstroms
sigma value = 15


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

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Energy: 1.4203327719185663
Energy: 2.088270739160586
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Energy: 1.7244452558091816
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minimum gb energy = 1.4121078837770937 eV
minimum distance =  2.21897659718427 Angstroms
sigma value = 293


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

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Energy: 1.701441601818342
Energy: 1.717874640531438
Energy: 1.6441915849680624
Energy: 1.4255809759804132
Energy: 1.588821101189057
Energy: 1.6940455617293924
Energy: 1.6714250335681387
Energy: 1.5882891277117002
Energy: 1.5008134835355091
Energy: 1.450874022218398
Energy: 1.5218303939999962
Energy: 1.6284049339235707
Energy: 1.6714250335673673
Energy: 1.5882891277117002
Energy: 1.5008134835359133
Energy: 1.450874022217994
Energy: 1.7693019729823296
Energy: 1.8683359766864283
Energy: 1.5216671439628267
Energy: 2.08591025546197
Energy: 1.5169450155290742
Energy: 1.8684949270979851
Energy: 1.769301972981926
Energy: 1.8683359766860244
Energy: 1.5216671439624225
Energy: 2.085910255462374
Energy: 1.6707878973775798
Energy: 1.6282901313455764
Energy: 1.5220691298648665
Energy: 1.4508453482302697
Energy: 1.500840389862941
Energy: 1.5883243691935895
Energy: 1.6707878973779837
Energy: 1.6282901313467886
Energy: 1.5220691298644624
Energy: 1.4508453482306736
Energy: 1.627897622893479
Energy: 1.717630923432742
Energy: 1.7016746629309414
Energy: 1.693453792318034
Energy: 1.5888211011898647
Energy: 1.4256585001120754
Energy: 1.627897622894691
Energy: 1.717630923432742
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Energy: 1.6874710833321491
Energy: 1.8166227863398452
Energy: 1.6205308008723052
Energy: 1.455455192305323
Energy: 1.5665542014871847
Energy: 1.5951861090716286
Energy: 1.6895816636661996
Energy: 1.6426256903512686
Energy: 1.4270042424307703
Energy: 1.455455192304515
Energy: 1.566554201486781
Energy: 1.5951861090708208
Energy: 1.6895816636661996
Energy: 1.4678385835608467
Energy: 1.505703642567434
Energy: 1.5099637719763543
Energy: 1.7829612347332018
Energy: 1.7216846236875796
Energy: 1.9093368157455153
Energy: 1.4678385835612509
Energy: 1.5057036425670296
Energy: 1.5099637719763543
Energy: 1.782961234733606
Energy: 1.4974083436081433
Energy: 1.6655216355105598
Energy: 1.722504031811998
Energy: 1.9907151014991356
Energy: 1.6975292094385965
Energy: 1.71088138200047
Energy: 1.497408343608547
Energy: 1.6655216355105598
Energy: 1.7225040318124019
Energy: 1.9907151014991356
Energy: 1.5178843165825537
Energy: 1.484085216476742
Energy: 1.4829432804562683
Energy: 1.5183976780377781
Energy: 1.6070164924967194
Energy: 1.605672147999974
Energy: 1.5178843165825537
Energy: 1.484085216477146
Energy: 1.4829432804558647
Energy: 1.5183976780381818
Energy: 1.9893510399108267
Energy: 1.7160945172230255
Energy: 1.6654161355819412
Energy: 1.4969461832814412
Energy: 1.711066586724488
Energy: 1.6973551677344942
Energy: 1.9893510399104226
Energy: 1.7160945172230255
Energy: 1.6654161355823454
Energy: 1.4969461832810371
Energy: 1.7793584087543657
Energy: 1.5100406838071152
Energy: 1.513772481693008
Energy: 1.4678027339561253
Energy: 1.9093319377571332
Energy: 1.7217239766176469
Energy: 1.7793584087547698
Energy: 1.510040683807519
Energy: 1.5137724816922
Energy: 1.4678027339569335
Energy: 1.6864723873990954
Energy: 1.646207317851593
Energy: 1.566554201488397
Energy: 1.4554443558885344
Energy: 1.423028188094574
Energy: 1.6426256903512686
Energy: 1.6864723873990954
Energy: 1.646207317852401
Energy: 1.566554201487993
Energy: 1.4554443558877261
Energy: 1.6188767236062511
Energy: 1.816418069731716
Energy: 1.6875715308151187
Energy: 1.961271616430293
Energy: 1.6050352876725862
Energy: 1.7481733611430739
Energy: 1.618876723605443
Energy: 1.816418069731716
Energy: 1.6875715308151187
Energy: 1.9612716164298891

minimum gb energy = 1.423028188094574 eV
minimum distance =  2.22655626825109 Angstroms
sigma value = 293


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

Energy: 1.194657861696394
Energy: 1.6209539456756654
Energy: 1.2157830522637105
Energy: 1.999615564753974
Energy: 1.215736194829689
Energy: 1.6209641965798818
Energy: 1.194657861696394
Energy: 1.6209539456756654
Energy: 1.2157830522637105
Energy: 1.999615564753974
Energy: 1.411088179188206
Energy: 1.8934822993615719
Energy: 1.2162036853327585
Energy: 1.5875311062455402
Energy: 1.587684001602415
Energy: 1.2712889264796339
Energy: 1.411088179188206
Energy: 1.8934822993615719
Energy: 1.2162036853334888
Energy: 1.5875311062462705
Energy: 1.4676721202376555
Energy: 1.1819657706522495
Energy: 1.6744924030634363
Energy: 1.1795488581170614
Energy: 1.4436947925409687
Energy: 1.216087439565913
Energy: 1.4676721202383856
Energy: 1.1819657706515192
Energy: 1.6744924030634363
Energy: 1.1795488581170614
Energy: 1.6744360872175803
Energy: 1.1816121115981353
Energy: 1.4679462844162556
Energy: 1.2160864942753495
Energy: 1.4437247729286142
Energy: 1.1795560101994855
Energy: 1.6744360872175803
Energy: 1.1816121115974052
Energy: 1.4679462844147952
Energy: 1.2160864942753495
Energy: 1.2162403419369652
Energy: 1.8934822993593812
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Energy: 1.5876549511500244
Energy: 1.5873827892495578
Energy: 1.2162403419369652
Energy: 1.8934822993593812
Energy: 1.4111328557846112
Energy: 1.271327965880251
Energy: 1.215736194829689
Energy: 1.644659008547928
Energy: 1.1946578616971246
Energy: 1.6209539456756654
Energy: 1.2157830522637105
Energy: 2.0165111904645174
Energy: 1.215736194829689
Energy: 1.644659008547928
Energy: 1.194657861696394
Energy: 1.6209539456756654
Energy: 1.587684001602415
Energy: 1.2712889264796339
Energy: 1.4110881791874756
Energy: 1.8182625833101258
Energy: 1.2162036853327585
Energy: 1.5875822318355828
Energy: 1.587684001602415
Energy: 1.2712889264796339
Energy: 1.4110881791874756
Energy: 1.8934822993615719
Energy: 1.4436947925402384
Energy: 1.2160874395666432
Energy: 1.4676721202369252
Energy: 1.1819657706515192
Energy: 1.6744924030634363
Energy: 1.1795488581177915
Energy: 1.4436947925409687
Energy: 1.216087439565913
Energy: 1.4676721202383856
Energy: 1.1819657706515192
Energy: 1.4437247729286142
Energy: 1.1795560101994855
Energy: 1.6744360872175803
Energy: 1.1816121115974052
Energy: 1.4679462844155255
Energy: 1.2160864942753495
Energy: 1.4437247729278841
Energy: 1.1795560102002156
Energy: 1.6744360872175803
Energy: 1.1816121115988654
Energy: 1.5876549511492943
Energy: 1.5873827892488275
Energy: 1.2162403419369652
Energy: 1.893482299358651
Energy: 1.4111328557846112
Energy: 1.2713279658787904
Energy: 1.5876549511500244
Energy: 1.5873827892495578
Energy: 1.2162403419369652
Energy: 1.893482299357921
Energy: 1.2157830522637105
Energy: 1.89068008855663
Energy: 1.215736194829689
Energy: 1.5745847886524682
Energy: 1.194657861696394
Energy: 1.6209539456756654
Energy: 1.2157830522637105
Energy: 1.986291826821112
Energy: 1.215736194829689
Energy: 1.5745847886524682
Energy: 1.2162036853334888
Energy: 1.5090940467550327
Energy: 1.587684001602415
Energy: 1.2712889264796339
Energy: 1.4110881791874756
Energy: 1.7051604328384877
Energy: 1.2162036853327585
Energy: 1.5090940467543024
Energy: 1.5876840016031453
Energy: 1.2712889264789036
Energy: 1.6744924030641666
Energy: 1.1795488581170614
Energy: 1.4436947925409687
Energy: 1.2160874395666432
Energy: 1.4676721202383856
Energy: 1.1819657706507891
Energy: 1.6744924030641666
Energy: 1.1795488581177915
Energy: 1.4436947925402384
Energy: 1.216087439565913
Energy: 1.4679462844147952
Energy: 1.2160864942753495
Energy: 1.4437247729286142
Energy: 1.1795560102002156
Energy: 1.6744360872175803
Energy: 1.1816121115995957
Energy: 1.4679462844155255
Energy: 1.2160864942753495
Energy: 1.4437247729286142
Energy: 1.1795560102002156
Energy: 1.4111328557846112
Energy: 1.271327965880251
Energy: 1.5876549511500244
Energy: 1.5873827892495578
Energy: 1.2162403419369652
Energy: 1.8934822993593812
Energy: 1.4111328557853413
Energy: 1.271327965880981
Energy: 1.5876549511500244
Energy: 1.5873827892495578
Energy: 1.194657861696394
Energy: 1.6209539456756654
Energy: 1.2157830522637105
Energy: 1.5886144786619818
Energy: 1.215736194829689
Energy: 1.4081982439503808
Energy: 1.1946578616971246
Energy: 1.6209539456756654
Energy: 1.2157830522637105
Energy: 1.986291826821112
Energy: 1.4110881791874756
Energy: 1.5464698111539459
Energy: 1.2162036853334888
Energy: 1.3489624853049107
Energy: 1.587684001602415
Energy: 1.2712889264796339
Energy: 1.4110881791874756
Energy: 1.7051604328377574
Energy: 1.2162036853327585
Energy: 1.3489624853056408
Energy: 1.4676721202383856
Energy: 1.1819657706507891
Energy: 1.6744924030634363
Energy: 1.1795488581185218
Energy: 1.4436947925409687
Energy: 1.216087439565913
Energy: 1.4676721202376555
Energy: 1.1819657706507891
Energy: 1.6744924030634363
Energy: 1.1795488581185218
Energy: 1.6744360872175803
Energy: 1.1816121115988654
Energy: 1.4679462844147952
Energy: 1.2160864942753495
Energy: 1.4437247729286142
Energy: 1.1795560101994855
Energy: 1.6744360872175803
Energy: 1.1816121115988654
Energy: 1.4679462844155255
Energy: 1.2160864942746192
Energy: 1.2162403419369652
Energy: 1.893482299358651
Energy: 1.4111328557846112
Energy: 1.271327965880251
Energy: 1.5876549511500244
Energy: 1.5873827892502879
Energy: 1.2162403419369652
Energy: 1.8934822993593812
Energy: 1.4111328557846112
Energy: 1.271327965880251
Energy: 1.215736194829689
Energy: 1.4081982439503808
Energy: 1.194657861696394
Energy: 1.6209539456756654
Energy: 1.2157830522637105
Energy: 1.6907812408045653
Energy: 1.215736194829689
Energy: 1.4081982439503808
Energy: 1.194657861696394
Energy: 1.6209539456756654
Energy: 1.587684001602415
Energy: 1.2712889264789036
Energy: 1.4110881791874756
Energy: 1.5464698111517554
Energy: 1.2162036853334888
Energy: 1.3489624853056408
Energy: 1.587684001602415
Energy: 1.2712889264796339
Energy: 1.4110881791874756
Energy: 1.7051604328377574

minimum gb energy = 1.1795488581170614 eV
minimum distance =  2.23681837413446 Angstroms
sigma value = 15


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

Energy: 1.7566081625891976
Energy: 1.7602962709452288
Energy: 1.491222460214735
Energy: 1.9444196449039994
Energy: 1.4956402531830195
Energy: 1.6766188768445898
Energy: 1.7566081625891976
Energy: 1.7602962709458907
Energy: 1.491222460215728
Energy: 1.9444196449039994
Energy: 1.6314417552693918
Energy: 1.7935958814470976
Energy: 1.5861133427481398
Energy: 1.4772813119807235
Energy: 1.468985604178816
Energy: 1.639135588631853
Energy: 1.631441755269723
Energy: 1.7935958814477597
Energy: 1.5861133427481398
Energy: 1.4772813119803925
Energy: 1.6111892141987234
Energy: 1.6863724297942086
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Energy: 1.6111892141990545
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Energy: 1.7162479407206723
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Energy: 1.5546996668778423
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Energy: 1.4533895907676562
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Energy: 1.5847519179135505
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Energy: 1.5153853134366733
Energy: 1.4848831954650086
Energy: 1.4712450278868803
Energy: 1.6824750107860231
Energy: 1.523623522307375
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Energy: 1.6888874432957355
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Energy: 1.4712450278868803
Energy: 1.6824750107856923
Energy: 1.5236235223063819
Energy: 1.4934317939121373
Energy: 1.6695907335565983
Energy: 1.442152348394432
Energy: 1.5118108384072635
Energy: 1.6606362985664056
Energy: 1.650827451949865
Energy: 1.493431793913792
Energy: 1.6695907335562672
Energy: 1.4421523483941012
Energy: 1.5118108384072635
Energy: 1.6417328471336083
Energy: 1.8948926251045377
Energy: 1.531065017795553
Energy: 1.8707810508833738
Energy: 1.6483790391589546
Energy: 1.6059782968763199
Energy: 1.6417328471339394
Energy: 1.8948926251045377
Energy: 1.5310650177968768
Energy: 1.8707810508837048
Energy: 1.532883792865513
Energy: 1.5207408919981245
Energy: 1.4608620126521858
Energy: 1.455926442455373
Energy: 1.6129174970116285
Energy: 1.5694722615438992
Energy: 1.5328837928658439
Energy: 1.5207408919984555
Energy: 1.460862012652517
Energy: 1.455926442456366
Energy: 1.6619090276208341
Energy: 1.5690017574271198
Energy: 1.8745587661163594
Energy: 1.4695045630152384
Energy: 1.8477110683782685
Energy: 1.6636017068045428
Energy: 1.661909027622489
Energy: 1.5690017574264579
Energy: 1.8745587661163594
Energy: 1.4695045630152384
Energy: 1.673646001519037
Energy: 1.6159480487638467
Energy: 1.5116365140825605
Energy: 1.4069042931585958
Energy: 1.6456683471520062
Energy: 1.5661533254654947
Energy: 1.6736460015183754
Energy: 1.6159480487635154
Energy: 1.5116365140825605
Energy: 1.406904293158265
Energy: 1.7353054042860925
Energy: 1.8771224439976326
Energy: 1.544640633449475
Energy: 1.5596083641904304
Energy: 1.5034330734923973
Energy: 1.6375032906379294
Energy: 1.7353054042860925
Energy: 1.8771224439982945
Energy: 1.544640633449144
Energy: 1.5596083641914233
Energy: 1.5358710256682933
Energy: 1.6711928901961723
Energy: 1.5141573204411005
Energy: 1.5013735550651497
Energy: 1.4764714040210811
Energy: 1.6828704247006816
Energy: 1.5358710256686243
Energy: 1.6711928901965034
Energy: 1.5141573204407694
Energy: 1.5013735550654808
Energy: 1.6766289816567057
Energy: 1.531931026970664
Energy: 1.6558111285644108
Energy: 1.4151796437793456
Energy: 1.5243455409360864
Energy: 1.5470867278338507
Energy: 1.6766289816567057
Energy: 1.5319310269703335
Energy: 1.655811128565073
Energy: 1.4151796437793456
Energy: 1.7678719268946739
Energy: 1.6786341439936594
Energy: 1.7357142515394937
Energy: 1.4704693586352076
Energy: 1.8771050385403794
Energy: 1.6133643728703038
Energy: 1.7678719268946739
Energy: 1.6786341439939905
Energy: 1.7357142515401556
Energy: 1.4704693586338835
Energy: 1.5410689207009012
Energy: 1.5829015974384253
Energy: 1.5581392166754808
Energy: 1.6044950750807159
Energy: 1.4671729096411112
Energy: 1.5300167014770267
Energy: 1.541068920701232
Energy: 1.5829015974384253
Energy: 1.5581392166748187
Energy: 1.6044950750797229
Energy: 1.6621916942951793
Energy: 1.5973174521819766
Energy: 1.5881222649771216
Energy: 1.8592313709298098
Energy: 1.5781208068546828
Energy: 1.9089460121604849
Energy: 1.6621916942958415
Energy: 1.5973174521819766
Energy: 1.5881222649767908
Energy: 1.859231370929479
Energy: 1.5464979010649866
Energy: 1.6426401281486118
Energy: 1.6556647887084617
Energy: 1.5076829196526982
Energy: 1.442994466063397
Energy: 1.6131427089879875
Energy: 1.5464979010656486
Energy: 1.642640128148281
Energy: 1.6556647887091238
Energy: 1.5076829196523671
Energy: 1.4551546077509252
Energy: 1.7142054975966778
Energy: 1.7582157856543545
Energy: 1.6297402666181013
Energy: 1.7571544172864202
Energy: 1.4712378578432692
Energy: 1.4551546077512563
Energy: 1.7142054975963468
Energy: 1.7582157856536926
Energy: 1.629740266618432
Energy: 1.6457056340513911
Energy: 1.5496791728536785
Energy: 1.6986229704018687
Energy: 1.512245523370049
Energy: 1.6063650925231239
Energy: 1.4574449256339759
Energy: 1.6457056340540388
Energy: 1.5496791728523545
Energy: 1.6986229704018687
Energy: 1.5122455233707108
Energy: 1.509867799583548
Energy: 1.8129325196952015
Energy: 1.5392643972065583
Energy: 1.7271836693027578
Energy: 1.4183745370992333
Energy: 1.5549915994695602
Energy: 1.509867799583548
Energy: 1.8129325196958639
Energy: 1.53926439720391
Energy: 1.7271836693030889
Energy: 1.6251212989233306
Energy: 1.7633949114218233
Energy: 1.7369724121735968
Energy: 1.6464344399885023
Energy: 1.4624628692846107
Energy: 1.7903623310820918
Energy: 1.6251212989233306
Energy: 1.7633949114214924
Energy: 1.7369724121739278
Energy: 1.6464344399885023
Energy: 1.479284103802602
Energy: 1.6449799814360104
Energy: 1.7091374614953847
Energy: 1.6396171331782048
Energy: 1.6014213352496909
Energy: 1.4180047273255465
Energy: 1.4792841038029327
Energy: 1.6449799814356794
Energy: 1.7091374614957153
Energy: 1.639617133178867
Energy: 1.9268508743665478
Energy: 1.5777499988823351
Energy: 1.592181311453343
Energy: 1.6655029661055958
Energy: 1.8981026632038887
Energy: 1.6082659646576904
Energy: 1.9268508743672095
Energy: 1.5777499988813422
Energy: 1.592181311453012
Energy: 1.6655029661062575
Energy: 1.5962985135982204
Energy: 1.5509210326948581
Energy: 1.4917798400253368
Energy: 1.555871308560465
Energy: 1.5390944280892378
Energy: 1.4291656848872358
Energy: 1.5962985135995444
Energy: 1.5509210326951892
Energy: 1.4917798400253368
Energy: 1.5558713085607958
Energy: 1.4701873613744276
Energy: 1.5247974322204423
Energy: 1.6635832888802433
Energy: 1.770778812609941
Energy: 1.6538882919442826
Energy: 1.7934391803062408
Energy: 1.4701873613744276
Energy: 1.5247974322171323
Energy: 1.6635832888802433
Energy: 1.770778812609941
Energy: 1.414910177180725
Energy: 1.6908388125619995
Energy: 1.567287575642122
Energy: 1.7801124021129844
Energy: 1.5925622512286777
Energy: 1.6070309038206576
Energy: 1.4149101771813872
Energy: 1.6908388125623306
Energy: 1.5672875756427842
Energy: 1.7801124021126533
Energy: 1.4980051465570734
Energy: 1.5025470006199446
Energy: 1.5920057466325912
Energy: 1.5257027094507296
Energy: 1.8203954876144028
Energy: 1.447196562262201
Energy: 1.4980051465564117
Energy: 1.5025470006192825
Energy: 1.5920057466319293
Energy: 1.5257027094510605

minimum gb energy = 1.4056247196332163 eV
minimum distance =  2.27139293454015 Angstroms
sigma value = 437


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

Energy: 1.5383745527443802
Energy: 1.6904372610499439
Energy: 1.557935951045066
Energy: 1.941894489397517
Energy: 1.557615996819491
Energy: 1.689858175707974
Energy: 1.5383745527431745
Energy: 1.6904372610511496
Energy: 1.5579359510438604
Energy: 1.9418944893963115
Energy: 1.5652890012513463
Energy: 1.7906334570172042
Energy: 1.6000147166879921
Energy: 1.5108075199223827
Energy: 1.5798920325005634
Energy: 1.6263126257056884
Energy: 1.5652890012525522
Energy: 1.7906334570172042
Energy: 1.6000147166843746
Energy: 1.5108075199260003
Energy: 1.4862222646306416
Energy: 1.4905872254879378
Energy: 1.8180438670619745
Energy: 1.4999331208390816
Energy: 1.948008183857561
Energy: 1.4981826267204628
Energy: 1.4862222646306416
Energy: 1.4905872254867316
Energy: 1.818043867064386
Energy: 1.4999331208378757
Energy: 1.851789252902489
Energy: 1.6165032320972894
Energy: 1.7595480186789656
Energy: 1.419815030400961
Energy: 1.619416010291713
Energy: 1.4949567651918003
Energy: 1.8517892529036946
Energy: 1.6165032320984953
Energy: 1.7595480186789656
Energy: 1.419815030399755
Energy: 1.6187024694395937
Energy: 1.476442011711853
Energy: 1.4934916893885455
Energy: 1.6665452581335913
Energy: 1.431592999966701
Energy: 1.6421516919621895
Energy: 1.6187024694395937
Energy: 1.4764420117106472
Energy: 1.4934916893885455
Energy: 1.6665452581347973
Energy: 1.5911091404282693
Energy: 1.6417714505583556
Energy: 1.4828909563475863
Energy: 1.6208338901480202
Energy: 1.5896251762512765
Energy: 1.474564138762765
Energy: 1.5911091404294753
Energy: 1.6417714505571495
Energy: 1.4828909563475863
Energy: 1.6208338901468144
Energy: 1.8154734441768097
Energy: 1.5406619489546063
Energy: 1.6909281892421233
Energy: 1.4388405683177314
Energy: 1.7824290569280632
Energy: 1.4904485852168994
Energy: 1.8154734441756035
Energy: 1.5406619489558122
Energy: 1.690928189244535
Energy: 1.4388405683177314
Energy: 1.4486618482359837
Energy: 1.5093952296837734
Energy: 1.7824353904184873
Energy: 1.413343316221101
Energy: 1.786184341494012
Energy: 1.575928328932918
Energy: 1.448661848234778
Energy: 1.5093952296837734
Energy: 1.7824353904184873
Energy: 1.413343316221101
Energy: 1.5658437204189346
Energy: 1.511236588095796
Energy: 1.7192444807116285
Energy: 1.5107613997259175
Energy: 1.558255154715154
Energy: 1.7236273419640555
Energy: 1.5658437204189346
Energy: 1.5112365880945902
Energy: 1.7192444807104228
Energy: 1.5107613997259175
Energy: 1.6007925031533663
Energy: 1.5274683824160076
Energy: 1.4985995497930384
Energy: 1.5367103404186715
Energy: 1.5959825846572786
Energy: 1.7878331610460374
Energy: 1.6007925031545722
Energy: 1.5274683824135957
Energy: 1.4985995497894204
Energy: 1.5367103404174653
Energy: 1.616187963078315
Energy: 1.5374334745770202
Energy: 1.6030307435249047
Energy: 1.4136058844064128
Energy: 1.5060150138256303
Energy: 1.610666345178217
Energy: 1.616187963075903
Energy: 1.537433474579432
Energy: 1.603030743523699
Energy: 1.4136058844076187
Energy: 1.6784404508171462
Energy: 1.5090911998956213
Energy: 1.952213994975981
Energy: 1.4957473166894155
Energy: 1.9521864278922398
Energy: 1.5091204154448934
Energy: 1.6784404508183521
Energy: 1.5090911998968273
Energy: 1.9522139949747754
Energy: 1.4957473166894155
Energy: 1.6164167151673694
Energy: 1.5709542463332835
Energy: 1.506015013826836
Energy: 1.4136525485543951
Energy: 1.602818918619698
Energy: 1.5373525386344011
Energy: 1.6164167151685753
Energy: 1.5709542463308717
Energy: 1.5060150138256303
Energy: 1.4136525485531897
Energy: 1.6225788259673328
Energy: 1.7878132365699535
Energy: 1.597322425544447
Energy: 1.5373924592912713
Energy: 1.4824152277713274
Energy: 1.5214619719554157
Energy: 1.622578825966127
Energy: 1.7878132365699535
Energy: 1.5973224255456526
Energy: 1.5373924592912713

minimum gb energy = 1.413343316221101 eV
minimum distance =  2.22362546332013 Angstroms
sigma value = 33