Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_003
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=4.280338475299679
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: 0.014959614914310583
Energy: 0.015175368941336
Energy: 0.015183737526753298
Energy: 1.6765146662542831
Energy: 0.015183737526753298
Energy: 0.015175368940863682
Energy: 0.014959614914782903
Energy: 0.015175368940653761
Energy: 0.015183737526753298
Energy: 1.6765146662542831
Energy: 0.9403389231385871
Energy: 0.017546560999281636
Energy: 0.018185885521909233
Energy: 0.9389954696004478
Energy: 0.018185885521909233
Energy: 0.017546560999281636
Energy: 0.940338923138351
Energy: 0.017546560999963875
Energy: 0.01818588552143691
Energy: 0.9389954695992933
Energy: 0.014959614913392184
Energy: 0.015175368940863682
Energy: 0.015183737526517138
Energy: 1.6765146662533648
Energy: 0.015183737526517138
Energy: 0.015175368940417601
Energy: 0.014959614914782903
Energy: 0.015175368940863682
Energy: 0.015183737526071057
Energy: 1.6765146662533648
Energy: 0.940338923138351
Energy: 0.017546560999517794
Energy: 0.01818588552122699
Energy: 0.9389954696006839
Energy: 0.01818588552238155
Energy: 0.017546560999281636
Energy: 0.9403389231385871
Energy: 0.017546561000200037
Energy: 0.01818588552214539
Energy: 0.9389954695995294
Energy: 0.014959614914100665
Energy: 0.015175368940863682
Energy: 0.015183737526989458
Energy: 1.9821683610984782
Energy: 0.015183737526753298
Energy: 0.015175368940653761
Energy: 0.014959614914546743
Energy: 0.015175368940653761
Energy: 0.015183737526753298
Energy: 1.6765146662542831
Energy: 0.9403389231395054
Energy: 0.017546560999727717
Energy: 0.01818588552167307
Energy: 0.9389954696006839
Energy: 0.01818588552143691
Energy: 0.017546560999045474
Energy: 0.940338923138351
Energy: 0.017546560999281636
Energy: 0.01818588552143691
Energy: 0.9389954695995294
Energy: 0.014959614913392184
Energy: 0.01517536894109984
Energy: 0.015183737526517138
Energy: 2.3893611755225694
Energy: 0.015183737526753298
Energy: 0.01517536894109984
Energy: 0.014959614914782903
Energy: 0.01517536893994528
Energy: 0.015183737526753298
Energy: 2.246085598499769

minimum gb energy = 0.014959614913392184 eV
minimum distance =  2.32044291450669 Angstroms
sigma value = 3


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

Energy: 1.589727143712615
Energy: 1.6297796118509287
Energy: 1.5638273141508996
Energy: 1.6453159619511868
Energy: 1.537507581629224
Energy: 1.6043053872927893
Energy: 1.5897271437137461
Energy: 1.629779611849232
Energy: 1.5638273141492027
Energy: 1.6453159619483586
Energy: 1.5938984366243103
Energy: 1.504042962545635
Energy: 1.530031558004353
Energy: 1.5746359889645998
Energy: 1.4865494676178714
Energy: 1.4990035305591225
Energy: 1.5938984366231792
Energy: 1.5040429625490286
Energy: 1.530031558003787
Energy: 1.574635988964034
Energy: 1.4643291518840917
Energy: 1.5084312291504494
Energy: 1.4817379278981233
Energy: 1.500770819468348
Energy: 1.5757724567517282
Energy: 1.524155956806846
Energy: 1.464329151887485
Energy: 1.5084312291470556
Energy: 1.481737927896992
Energy: 1.500770819468348
Energy: 1.4873635090717456
Energy: 1.5176781670244766
Energy: 1.4068719477052796
Energy: 1.4347810106836156
Energy: 1.401539725814555
Energy: 1.4985767963036207
Energy: 1.4873635090700486
Energy: 1.517678167022214
Energy: 1.4068719477069769
Energy: 1.43478101068305
Energy: 1.507359435979855
Energy: 1.4256552460802248
Energy: 1.3918570144979796
Energy: 1.4024502335463511
Energy: 1.5337809812779877
Energy: 1.4513053256763626
Energy: 1.5073594359804208
Energy: 1.4256552460802248
Energy: 1.3918570144945857
Energy: 1.4024502335480482
Energy: 1.5216361081363725
Energy: 1.6366863036953678
Energy: 1.4230682616450958
Energy: 1.4307756452165978
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Energy: 1.636686303694802
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Energy: 1.515317720911155
Energy: 1.4177101274902482
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Energy: 1.555336208871051
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Energy: 1.5153177209145485
Energy: 1.4177101274913793
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Energy: 1.459732962354152
Energy: 1.4946997873805172
Energy: 1.5670376892657054
Energy: 1.5127362893557554
Energy: 1.4677421603529435
Energy: 1.5069225562432431
Energy: 1.4632526243834147
Energy: 1.494699787382214
Energy: 1.5670376892657054
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Energy: 1.4677421603535092
Energy: 1.5956388743153231
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Energy: 1.5766945142776438
Energy: 1.5328335491877356
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Energy: 1.64132933895777
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Energy: 1.5252842152254051
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Energy: 1.4907853880667494
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Energy: 1.5008615027118652
Energy: 1.4546583749609994
Energy: 1.395385745973849
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Energy: 1.3825022651982053
Energy: 1.50267198247836
Energy: 1.5008615027124308
Energy: 1.4546583749604338
Energy: 1.3953857459744148
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Energy: 1.4503634880513063
Energy: 1.4781217743176478
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Energy: 1.5122751262716931
Energy: 1.6502224410153705
Energy: 1.506209261801377
Energy: 1.4503634880513063
Energy: 1.4781217743182131
Energy: 1.4792582083802999
Energy: 1.5122751262694305
Energy: 1.6695874085259246
Energy: 1.5831065126454529
Energy: 1.5287474781851262
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Energy: 1.5811503771855404
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Energy: 1.5924747651659246
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Energy: 1.755094140435365
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Energy: 1.611766145959638
Energy: 1.5714338491529114
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Energy: 1.7550941404364964
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Energy: 1.611766145961335
Energy: 1.4978436223957134
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Energy: 1.497843622393451
Energy: 1.5227835547160278
Energy: 1.5258976285247
Energy: 1.5344599143645674
Energy: 1.4500920849517613
Energy: 1.486433631145909
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Energy: 1.508648779745828
Energy: 1.532007844966318
Energy: 1.5258315351546057
Energy: 1.4500920849517613
Energy: 1.4864336311464745
Energy: 1.4244618476648727
Energy: 1.5086487797441308
Energy: 1.3784620883409737
Energy: 1.4243601103430537
Energy: 1.4223176170527903
Energy: 1.5049351084622864
Energy: 1.382427788548748
Energy: 1.5099585814742138
Energy: 1.378462088339277
Energy: 1.4243601103430537
Energy: 1.42231761706292
Energy: 1.5049351084617206
Energy: 1.4122688875028255
Energy: 1.4083952595819869
Energy: 1.3913485803898358
Energy: 1.4473920191463414
Energy: 1.4476893939226816
Energy: 1.4973989352625
Energy: 1.412268887500563
Energy: 1.4083952595814213
Energy: 1.3913485803898358
Energy: 1.4473920191474725
Energy: 1.4100643193040592
Energy: 1.4212346408225438
Energy: 1.5418666599589912
Energy: 1.4593335738368127
Energy: 1.5053257249886096
Energy: 1.3964803321717956
Energy: 1.4100643193063216
Energy: 1.4212346408225438
Energy: 1.5418666599589912
Energy: 1.4593335738334188
Energy: 1.4779656053330552
Energy: 1.476539087410806
Energy: 1.51902055387001
Energy: 1.4594672927261922
Energy: 1.5103062933628346
Energy: 1.5691229821933839
Energy: 1.477965605330793
Energy: 1.4765390874130684
Energy: 1.5190205538722723
Energy: 1.4594672927284547
Energy: 1.5988802070637729
Energy: 1.5484562534689863
Energy: 1.6297181756380907
Energy: 1.6308028379657589
Energy: 1.505279377265848
Energy: 1.473784139532528
Energy: 1.5988802070620762
Energy: 1.5484562534701176
Energy: 1.629718175637525
Energy: 1.6308028379651933
Energy: 1.5705604941475668
Energy: 1.540289887207375
Energy: 1.5508360034634623
Energy: 1.5444383938791164
Energy: 1.573741772779129
Energy: 1.5638273141520311
Energy: 1.5705604941481326
Energy: 1.5402898872051125
Energy: 1.5508360034628967
Energy: 1.5444383938791164
Energy: 1.574635988964034
Energy: 1.4865494676201338
Energy: 1.4990035305602538
Energy: 1.593898436624876
Energy: 1.5040429625473317
Energy: 1.5300315580049186
Energy: 1.5746359889612058
Energy: 1.4865494676178714
Energy: 1.4990035305574259
Energy: 1.5938984366237445
Energy: 1.4779656053302273
Energy: 1.5757724567539906
Energy: 1.524155956806846
Energy: 1.4643291518869197
Energy: 1.5084312291481867
Energy: 1.48173792789982
Energy: 1.477965605329662
Energy: 1.5757724567511626
Energy: 1.5241559568051493
Energy: 1.4643291518857884
Energy: 1.43478101068305
Energy: 1.4015397258151205
Energy: 1.495154893772489
Energy: 1.4873635090706143
Energy: 1.5176781670216484
Energy: 1.4068719477058453
Energy: 1.434781010681919
Energy: 1.401539725814555
Energy: 1.4951548937741859
Energy: 1.4873635090711799

minimum gb energy = 1.378462088339277 eV
minimum distance =  2.22573302593286 Angstroms
sigma value = 75


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

Energy: 1.8578449212979344
Energy: 1.8042427117226767
Energy: 1.7464857571379975
Energy: 1.8502424510796938
Energy: 1.9094683882534926
Energy: 1.7646380887524453
Energy: 1.8578449212987622
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Energy: 1.6405077437209044
Energy: 1.5646682060532695
Energy: 1.5882330998860408
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Energy: 1.6405077437209044
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Energy: 1.4600437623652758
Energy: 1.4719842886760892
Energy: 1.4573334143312067
Energy: 1.6216256429130567
Energy: 1.5205514286672634
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Energy: 1.4693030075869167
Energy: 1.5047231429076047
Energy: 1.6420600800160772
Energy: 1.6016101009980959
Energy: 1.6397060231404708
Energy: 1.5616155762921813
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Energy: 1.4561189024546222
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Energy: 1.6202776866570479
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Energy: 1.4556888949172102
Energy: 1.5369604148166434
Energy: 1.5048567090165108
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Energy: 1.5696596198511588
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Energy: 1.656332618936754
Energy: 1.7285123659276624
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minimum gb energy = 1.429461202067433 eV
minimum distance =  2.20935628218683 Angstroms
sigma value = 105


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

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Energy: 1.7709063426343532
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Energy: 1.6670661153634878
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Energy: 1.5579216664382298
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Energy: 1.6429671262389116
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Energy: 1.409298255625312
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Energy: 1.752800680518496
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Energy: 1.487973485182971
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Energy: 1.6493325590665175
Energy: 1.485320875985487
Energy: 1.5228734334016492
Energy: 1.617648352546854
Energy: 1.4509401257955006
Energy: 1.6493765427229796
Energy: 1.6839204350408625
Energy: 1.4853208759873553
Energy: 1.522873433400404
Energy: 1.6176483525471652
Energy: 1.4509401257951893
Energy: 1.7578598916044794
Energy: 1.7719380070469
Energy: 1.7977394110725358
Energy: 1.5116906600967823
Energy: 1.5104553037144708
Energy: 1.4922329836566772
Energy: 1.7578598916047907
Energy: 1.771938007049674
Energy: 1.7977394110722245
Energy: 1.5116906600961595
Energy: 1.6554429347421025
Energy: 1.72569024006956
Energy: 1.751765147572323
Energy: 1.6574784154637865
Energy: 1.7711536645069048
Energy: 1.775617343222228
Energy: 1.6554429347417912
Energy: 1.7256902400701826
Energy: 1.7517651475741913
Energy: 1.657478415464098
Energy: 1.7215115024626695
Energy: 1.5493185426194787
Energy: 1.6328699242182931
Energy: 1.588879981389653
Energy: 1.7438642259659582
Energy: 1.5412534528710118
Energy: 1.7215115024629808
Energy: 1.5493185426188558
Energy: 1.6328699242195386
Energy: 1.5888799813905872
Energy: 1.7659698789355918
Energy: 1.4781916620411903
Energy: 1.618205500422099
Energy: 1.460340203007904
Energy: 1.6307275688025673
Energy: 1.6545536430703098
Energy: 1.765969878936837
Energy: 1.4781916620411903
Energy: 1.618205500423656
Energy: 1.460340203007904
Energy: 1.4518659426216567
Energy: 1.5452246910067489
Energy: 1.497375533538335
Energy: 1.6716204367633232
Energy: 1.6677248533000035
Energy: 1.454977945631626
Energy: 1.451865942621968
Energy: 1.5452246910048804
Energy: 1.497375533539269
Energy: 1.671620436763946
Energy: 1.807178421503188
Energy: 1.5340788614687075
Energy: 1.5206349860056714
Energy: 1.566137608828526
Energy: 1.495180544821644
Energy: 1.6478893002909256
Energy: 1.8071784215028768
Energy: 1.534078861466528
Energy: 1.5206349860066055
Energy: 1.5661376088279033

minimum gb energy = 1.409298255625312 eV
minimum distance =  2.22465910699992 Angstroms
sigma value = 165


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

Energy: 1.4708639411110227
Energy: 1.7231868667277388
Energy: 1.432212247689154
Energy: 1.94682201008893
Energy: 1.432387674698877
Energy: 1.7231147114664014
Energy: 1.4708639411110227
Energy: 1.7231868667277388
Energy: 1.4322122476902226
Energy: 1.9468220100878613
Energy: 1.755548013607052
Energy: 1.6957106282531398
Energy: 1.44788693626413
Energy: 1.5229899948446473
Energy: 1.3934457659842023
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Energy: 1.755548013607052
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Energy: 1.44788693626413
Energy: 1.5229899948457164
Energy: 1.3174597248155246
Energy: 1.5189302747327942
Energy: 1.434148601736427
Energy: 1.3860665255330031
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Energy: 1.6280822642655397
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Energy: 1.4254238508191421
Energy: 1.418962369833885
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Energy: 1.4040821706905242
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Energy: 1.425423850820211
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Energy: 1.3887717193889793
Energy: 1.4040821706905242
Energy: 1.4685142336501325
Energy: 1.6929155607189912
Energy: 1.7744044842855784
Energy: 1.6445030563330294
Energy: 1.4480536419015901
Energy: 1.7558613387328843
Energy: 1.4685142336501325
Energy: 1.69291556072006
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Energy: 1.6445030563330294
Energy: 1.8084363177970821
Energy: 1.9406139561289286
Energy: 1.4469246536607467
Energy: 1.511157768464183
Energy: 1.4624047525061665
Energy: 1.6232831921320907
Energy: 1.8084363177970821
Energy: 1.9406139561289286
Energy: 1.4469246536607467
Energy: 1.511157768464183
Energy: 1.3171679771142697
Energy: 1.519059255181752
Energy: 1.628079494332071
Energy: 1.442806209143525
Energy: 1.4306388760606559
Energy: 1.429067228752556
Energy: 1.3171679771142697
Energy: 1.519059255181752
Energy: 1.628079494332071
Energy: 1.442806209144594
Energy: 1.3868932923429267
Energy: 1.4341486017353582
Energy: 1.5189320048303365
Energy: 1.3174629721986546
Energy: 1.5157860707190811
Energy: 1.467343156044818
Energy: 1.3868932923429267
Energy: 1.434148601736427
Energy: 1.5189320048292674
Energy: 1.3174629721986546
Energy: 1.528032611972415
Energy: 1.447968733231894
Energy: 1.695471166219914
Energy: 1.7553807357835156
Energy: 1.4246329434574618
Energy: 1.4303032679337053
Energy: 1.528032611971346
Energy: 1.447968733231894
Energy: 1.695471166219914
Energy: 1.7553807357835156
Energy: 1.6999900982960034
Energy: 1.432387674698877
Energy: 1.7231147114664014
Energy: 1.4708639411110227
Energy: 1.7231868667277388
Energy: 1.4322122476902226
Energy: 1.6999900982960034
Energy: 1.4323876746999458
Energy: 1.7231147114664014
Energy: 1.4708639411110227

minimum gb energy = 1.3170810544304257 eV
minimum distance =  2.24995172763045 Angstroms
sigma value = 41


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

Energy: 1.9789340094002597
Energy: 1.7191462257473529
Energy: 1.3284338690907462
Energy: 1.9521868823693143
Energy: 1.3249187082933567
Energy: 1.6044244361605262
Energy: 1.9789340094006742
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Energy: 1.6480490033872124
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Energy: 1.3070263945137497
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Energy: 1.9808398944235466
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Energy: 1.3244831160728223
Energy: 1.6386324083413983
Energy: 1.8113669224543805
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Energy: 1.3244831160736519
Energy: 1.6386324083393244
Energy: 1.1869392983281999
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Energy: 1.3255887195371572
Energy: 1.5124425330003217
Energy: 1.348518225720933
Energy: 1.3395288862249435
Energy: 1.1869392983281999
Energy: 1.5698526033492128
Energy: 1.3255887195367426
Energy: 1.5124425330003217
Energy: 1.3037030613206135
Energy: 1.2565358466701686
Energy: 1.5081500916745458
Energy: 1.3488700041077646
Energy: 1.4593907062503242
Energy: 1.4859475317798905
Energy: 1.303703061321028
Energy: 1.2565358466697538
Energy: 1.5081500916745458
Energy: 1.3488700041081794
Energy: 1.7421428717502676
Energy: 1.8303471596767047
Energy: 1.4144110622237476
Energy: 1.3455095222792997
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Energy: 1.324071651923898
Energy: 1.7421428717506822
Energy: 1.8303471596754606
Energy: 1.4144110622225032
Energy: 1.345509522278885
Energy: 1.612254881903604
Energy: 1.834124735334241
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Energy: 1.3244602181019913
Energy: 1.8403941908965014
Energy: 1.3255349827390153
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Energy: 1.8341247353350703
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Energy: 1.324193470549898
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Energy: 1.3026095988858941
Energy: 1.2567264083212364
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Energy: 1.4098894948317942
Energy: 1.4383761643953428
Energy: 1.5203128684354168
Energy: 1.3026095988858941
Energy: 1.256726408320407
Energy: 1.5203128684350022
Energy: 1.32416599099777
Energy: 1.7608704224499199
Energy: 1.8303260224533602
Energy: 1.3490917957066448
Energy: 1.345011992289744
Energy: 1.585684990960793
Energy: 1.32416599099777
Energy: 1.7608704224515788
Energy: 1.8303260224529456
Energy: 1.3490917957070598
Energy: 1.324379936723035
Energy: 1.6457315744894945
Energy: 1.834106604310173
Energy: 1.5883276161673392
Energy: 1.3281446336541987
Energy: 1.843613123813016
Energy: 1.3243799367246938
Energy: 1.6457315744890797
Energy: 1.834106604310173
Energy: 1.5883276161656803
Energy: 1.3488797609396157
Energy: 1.4144110622200148
Energy: 1.7113068404329046
Energy: 1.5483716180336247
Energy: 1.3240820913655162
Energy: 1.5390499382796217
Energy: 1.3488797609387864
Energy: 1.4144110622200148
Energy: 1.711306840432075
Energy: 1.5483716180332099
Energy: 1.349255480977555
Energy: 1.5081500916745458
Energy: 1.2561716935413099
Energy: 1.256035180585391
Energy: 1.4859475317811348
Energy: 1.5248181361154334
Energy: 1.3492554809754815
Energy: 1.5081500916757902
Energy: 1.2561716935404803
Energy: 1.256035180585391
Energy: 1.5820094546410504
Energy: 1.3243921129012222
Energy: 1.4871774250722374
Energy: 1.2605880253601105
Energy: 1.3234470570595243
Energy: 1.3486878319958533
Energy: 1.5820094546410504
Energy: 1.3243921129003928
Energy: 1.4871774250709933
Energy: 1.260588025359696
Energy: 1.6376617676023117
Energy: 1.3243460963948874
Energy: 1.606482619768757
Energy: 1.9807197608729485
Energy: 1.659485120647224
Energy: 1.7611114883498447
Energy: 1.6376617676027265
Energy: 1.324346096395302
Energy: 1.606482619768757
Energy: 1.980719760872119
Energy: 1.4872154958001498
Energy: 1.3640194587441403
Energy: 1.5193496183080282
Energy: 1.8113936153089278
Energy: 1.550411287843354
Energy: 1.327831680994315
Energy: 1.4872154958009791
Energy: 1.3640194587449699
Energy: 1.519349618309687
Energy: 1.8113936153085133

minimum gb energy = 1.1869392983281999 eV
minimum distance =  2.20206489405613 Angstroms
sigma value = 185


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

Energy: 1.8006139630787232
Energy: 1.9348138247495152
Energy: 1.7357285841802237
Energy: 1.9736850069414125
Energy: 1.6961406514435906
Energy: 1.7610958216378585
Energy: 1.8006139630792155
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Energy: 1.7357285841802237
Energy: 1.9736850069423972
Energy: 1.8350396651331444
Energy: 1.5346416444537219
Energy: 1.3696334448901266
Energy: 1.435145391156631
Energy: 1.267618704021242
Energy: 1.3016001763576606
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Energy: 1.4351453911581078
Energy: 1.6248868750891532
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Energy: 1.624886875088661
Energy: 1.2668093994401446
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Energy: 1.4988484106098614
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Energy: 1.3817638218436346
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Energy: 1.3817638218436346
Energy: 2.0371083490546
Energy: 1.271703230444563
Energy: 1.6436292763624623
Energy: 1.2323452948536755
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Energy: 1.716193645817313
Energy: 2.0371083490536153
Energy: 1.2717032304450553
Energy: 1.643629276363939
Energy: 1.2323452948526907
Energy: 1.3405296042079262
Energy: 1.7021828364243807
Energy: 1.6686016844768516
Energy: 1.26653477276498
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Energy: 1.6686016844743903
Energy: 1.2665347727639955
Energy: 1.2666036117674202
Energy: 1.6454899999140824
Energy: 1.69859195628214
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Energy: 1.6454899999111285
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Energy: 1.3410994506639367
Energy: 1.6836037798089416
Energy: 1.5312590638766232
Energy: 1.3695779171584554
Energy: 2.0156844652636754
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Energy: 1.6836037798079568
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Energy: 1.3819964628892734
Energy: 1.4107354617846708
Energy: 1.2673846707922942
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Energy: 1.8072612254602882
Energy: 1.381996462890258
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Energy: 1.267384670790325
Energy: 1.7831296767539535
Energy: 1.8433013109653866
Energy: 1.769589201776249
Energy: 1.2669862489391275
Energy: 1.555814997479541
Energy: 1.642185531394993
Energy: 1.2674448729798116
Energy: 1.843301310967356
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Energy: 1.2669862489406043
Energy: 1.5558149974785564
Energy: 1.5021478409630058
Energy: 1.2719343626974073
Energy: 1.779628805103362
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Energy: 1.2719343626964228
Energy: 1.7796288051058236
Energy: 1.7465595060528294
Energy: 1.9153361520434538
Energy: 1.7401361081232753
Energy: 1.8229741378283837
Energy: 1.712270794294823
Energy: 1.9677949101631294
Energy: 1.7357285841797314
Energy: 1.9153361520444383
Energy: 1.740136108121306
Energy: 1.8229741378269069
Energy: 1.712270794294823
Energy: 1.4351453911571233
Energy: 1.2676187040202573
Energy: 1.2920243594226257
Energy: 1.834531992040979
Energy: 1.5346416444537219
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Energy: 1.4351453911576155
Energy: 1.2676187040202573
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Energy: 1.834531992039502
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Energy: 1.2672842882979294
Energy: 1.4871444207240456
Energy: 1.6248868750876762
Energy: 1.2671730799287657
Energy: 1.7695892017767412
Energy: 1.7400329577348967
Energy: 1.2672842882998987
Energy: 1.4871444207230609
Energy: 1.6248868750901377
Energy: 1.3818358807957571
Energy: 1.8016027937019876
Energy: 1.682441251044586
Energy: 1.6227460030824168
Energy: 1.2670969843689561
Energy: 1.488741896645211
Energy: 1.3818358807962496
Energy: 1.8016027937019876
Energy: 1.682441251042617
Energy: 1.6227460030814322
Energy: 1.2323452948649984
Energy: 1.8917537540003326
Energy: 1.711975980957537
Energy: 2.0371083490541073
Energy: 1.271703230444563
Energy: 1.6436292763634468
Energy: 1.2323452948630294
Energy: 1.8917537539988556
Energy: 1.711975980957537
Energy: 2.0371083490531228
Energy: 1.2665347727625185
Energy: 1.4683262665978631
Energy: 1.524988148607454
Energy: 1.34565888358571
Energy: 1.7021828364253655
Energy: 1.6454899999116208
Energy: 1.2665347727654723
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Energy: 1.5249881486059766
Energy: 1.345658883584233
Energy: 1.341099450667875
Energy: 1.5561566754467158
Energy: 1.4701627239063715
Energy: 1.2665884501277473
Energy: 1.6686016844753748
Energy: 1.7244751059102281
Energy: 1.3410994506673828
Energy: 1.5561566754477003
Energy: 1.4701627239048947
Energy: 1.2665884501267628
Energy: 2.018268740521526
Energy: 1.7162912154212064
Energy: 1.5920276936305322
Energy: 1.6836037798074646
Energy: 1.5196536431841825
Energy: 1.3698950392613884
Energy: 2.0182687405230024
Energy: 1.7162912154192371
Energy: 1.5920276936334863
Energy: 1.6836037798079568
Energy: 1.6947626892242587
Energy: 1.7098922814759698
Energy: 1.8072612254637344
Energy: 1.381996462890258
Energy: 1.410735461783686
Energy: 1.2673846707913097
Energy: 1.69476268922672
Energy: 1.7098922814759698
Energy: 1.8072612254642266
Energy: 1.381996462888781
Energy: 1.5534651640303594
Energy: 1.642185531394993
Energy: 1.267228184013959
Energy: 1.843301310967356
Energy: 1.7262044317555962
Energy: 1.2669862489396198
Energy: 1.5534651640274055
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Energy: 1.2672281840134667
Energy: 1.8433013109658791
Energy: 1.7136543493745036
Energy: 1.3016001763571683
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Energy: 1.7533403364441102
Energy: 1.7136543493745036
Energy: 1.3016001763591376
Energy: 1.2671656652897827
Energy: 1.4354414724010138
Energy: 1.8006139630792155
Energy: 1.9348138247500075
Energy: 1.735728584180716
Energy: 1.937998361404778
Energy: 1.696140651442606
Energy: 1.743675345033336
Energy: 1.800613963078231
Energy: 1.934813824749023
Energy: 1.7357285841802237
Energy: 1.937998361404778
Energy: 1.835039665132652
Energy: 1.5346416444542144
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Energy: 1.435145391156631
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Energy: 1.301600176356676
Energy: 1.8350396651351137
Energy: 1.5346416444542144
Energy: 1.3696334448916037
Energy: 1.4351453911576155
Energy: 1.624886875088661
Energy: 1.2668093994401446
Energy: 1.7262044317531346
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Energy: 1.2672842882994064
Energy: 1.4948090893122454
Energy: 1.6248868750881684
Energy: 1.2668093994401446
Energy: 1.7262044317536271
Energy: 1.7717901489347816
Energy: 1.4988484106083846
Energy: 1.2671255498135077
Energy: 1.472485399336687
Energy: 1.3817638218446193
Energy: 1.7597614297596726
Energy: 1.6893954434492444
Energy: 1.4988484106113382
Energy: 1.267125549814
Energy: 1.4724853993371794
Energy: 1.3817638218446193
Energy: 2.0371083490536153
Energy: 1.2717032304440705
Energy: 1.6436292763649236
Energy: 1.2323452948797677
Energy: 1.7269129937736833
Energy: 1.7161936458168208
Energy: 2.0371083490531228
Energy: 1.2717032304450553
Energy: 1.6436292763644313
Energy: 1.2323452948787832
Energy: 1.33834152017967
Energy: 1.7021828364258578
Energy: 1.6415938341983933
Energy: 1.26653477276498
Energy: 1.4671555501335305
Energy: 1.5275026711464568
Energy: 1.3383415201767161
Energy: 1.70218283642635
Energy: 1.6415938341974088
Energy: 1.2665347727639955
Energy: 1.2666036117679127
Energy: 1.6454899999130979
Energy: 1.69859195628214
Energy: 1.3410994506846132
Energy: 1.5545525038209302
Energy: 1.4701627239044024
Energy: 1.2666036117674202
Energy: 1.645489999912113
Energy: 1.6985919562801708
Energy: 1.3410994506870748
Energy: 1.6836037798079568
Energy: 1.531259063876131
Energy: 1.3695779171589477
Energy: 2.015684465264168
Energy: 1.712006468859364
Energy: 1.6278044573996926
Energy: 1.6836037798089416
Energy: 1.5312590638731773
Energy: 1.3695779171604245
Energy: 2.015684465262691
Energy: 1.381996462888781
Energy: 1.4107354617856553
Energy: 1.2673846707922942
Energy: 1.7831296767534612
Energy: 1.7287930915124547
Energy: 1.8072612254686573
Energy: 1.381996462890258
Energy: 1.410735461785163
Energy: 1.2673846707908174
Energy: 1.7831296767539535
Energy: 1.8433013109653866
Energy: 1.7695892017767412
Energy: 1.266986248938635
Energy: 1.555814997479541
Energy: 1.642185531394993
Energy: 1.267444872978827
Energy: 1.8433013109668637
Energy: 1.7695892017767412
Energy: 1.2669862489410966
Energy: 1.5558149974780642
Energy: 1.5021478409630058
Energy: 1.271934362696915
Energy: 1.7796288051058236
Energy: 1.7465595060533217
Energy: 1.2920243594177026
Energy: 1.2670206169682305
Energy: 1.502147840964483
Energy: 1.2719343626964228
Energy: 1.7796288051058236
Energy: 1.7465595060523371

minimum gb energy = 1.2323452948526907 eV
minimum distance =  2.17365447687199 Angstroms
sigma value = 33


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

Energy: 1.410211782994208
Energy: 1.8808582263376865
Energy: 1.4424716025814648
Energy: 1.9526704583896177
Energy: 1.4424602132115545
Energy: 1.8806526438146507
Energy: 1.410211782994208
Energy: 1.880858226338227
Energy: 1.4424716025801134
Energy: 1.9526704583893473
Energy: 1.8327900328729212
Energy: 1.5361981186916163
Energy: 1.3893945507713568
Energy: 1.3823636927353908
Energy: 1.2783094318958808
Energy: 1.3470701247882606
Energy: 1.8327900328718403
Energy: 1.5361981186905354
Energy: 1.3893945507718974
Energy: 1.38236369273458
Energy: 1.6694937566539347
Energy: 1.3399396567157131
Energy: 1.6085917488621329
Energy: 1.8346789473354888
Energy: 1.3385382393911416
Energy: 1.3837389625415994
Energy: 1.6694937566555563
Energy: 1.3399396567173347
Energy: 1.6085917488615922
Energy: 1.8346789473360292
Energy: 1.4481536078369381
Energy: 1.3394078215798704
Energy: 1.3635485430957663
Energy: 1.3766029409926264
Energy: 1.3690181393256189
Energy: 1.8098870613271945
Energy: 1.448153607837749
Energy: 1.3394078215790597
Energy: 1.3635485430957663
Energy: 1.376602940992086
Energy: 1.3564352593852782
Energy: 1.3149545733068002
Energy: 1.4485680908418208
Energy: 1.787116339929082
Energy: 1.3761446089657827
Energy: 1.3763041765761412
Energy: 1.3564352593858187
Energy: 1.3149545733062595
Energy: 1.448568090844253
Energy: 1.7871163399307035
Energy: 1.7543069412179266
Energy: 1.3149015864732099
Energy: 1.669537815728793
Energy: 1.3838431697025964
Energy: 1.3304827426227281
Energy: 1.834233728503506
Energy: 1.754306941219008
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Energy: 1.3838431697044882
Energy: 1.3894198661242996
Energy: 1.3977145618439832
Energy: 1.8417696528740353
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Energy: 1.3831990105451315
Energy: 1.38941986612457
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Energy: 1.347285632059033
Energy: 1.4417269023341226
Energy: 1.7494415728617094
Energy: 1.41054877469661
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Energy: 1.4422373014536682
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Energy: 1.4417269023343928
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Energy: 1.4105487746960697
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Energy: 1.2783702603467009
Energy: 1.390759376393814
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Energy: 1.3326786048285415
Energy: 1.3894191976269716
Energy: 1.511212997694879
Energy: 1.2783702603467009
Energy: 1.3907593763927328
Energy: 1.810927809211341
Energy: 1.3326786063316156
Energy: 1.4051693134229786
Energy: 1.3834383800144814
Energy: 1.6828411696444785
Energy: 1.3151539636479033
Energy: 1.6075163304057294
Energy: 1.8346288476248735
Energy: 1.405169313421087
Energy: 1.3834383800136707
Energy: 1.6828411696458299
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Energy: 1.706008668800426
Energy: 1.433736738598158
Energy: 1.7278212635856172
Energy: 1.3465620808078993
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Energy: 1.3792855071674213
Energy: 1.7060086688006961
Energy: 1.43373673860005
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Energy: 1.3465620808073586
Energy: 1.376123360194428
Energy: 1.3762131914087596
Energy: 1.3568776383983014
Energy: 1.3156649018178306
Energy: 1.4487513610915081
Energy: 1.7868473855663634
Energy: 1.3761233601960494
Energy: 1.3762131914090299
Energy: 1.3568776383977608
Energy: 1.3156649018175601
Energy: 1.2801667950460593
Energy: 1.7295857889271606
Energy: 1.7932317642528481
Energy: 1.2414140760507602
Energy: 1.6696336548951092
Energy: 1.3844287768077739
Energy: 1.2801667950460593
Energy: 1.7295857889260795
Energy: 1.7932317642531184
Energy: 1.241414076048598
Energy: 1.2786871168279004
Energy: 1.3882485028048936
Energy: 1.3894026765998913
Energy: 1.3975710355328426
Energy: 1.853129469504515
Energy: 1.3469803949550954
Energy: 1.2786871168262788
Energy: 1.3882485028057043
Energy: 1.389402676599621
Energy: 1.3975710355347344
Energy: 1.4417842551042475
Energy: 1.3950988858549518
Energy: 1.4422044158279426
Energy: 1.7496884558418588
Energy: 1.4073236256034476
Energy: 1.805549009777943
Energy: 1.4417842551053284
Energy: 1.3950988858600866
Energy: 1.4422044158279426
Energy: 1.7496884558421293
Energy: 1.3894691969798294
Energy: 1.511999115758492
Energy: 1.2783300612239434
Energy: 1.3936424307397521
Energy: 1.7352799402758614
Energy: 1.3976995933711185
Energy: 1.3894691969809103
Energy: 1.5119991157582215
Energy: 1.2783300612244837
Energy: 1.3936424307378603
Energy: 1.5330341113624941
Energy: 1.8259722850481235
Energy: 1.3530091908744852
Energy: 1.3833828835117403
Energy: 1.3972395016540018
Energy: 1.3154483127872172
Energy: 1.5330341113641157
Energy: 1.8259722850489344
Energy: 1.3530091908755664
Energy: 1.383382883509578
Energy: 1.3635810041170633
Energy: 1.37812871859163
Energy: 1.7062278670280966
Energy: 1.4338437920674747
Energy: 1.7344994445956192
Energy: 1.3249746362634753
Energy: 1.3635810041170633
Energy: 1.3781287185905489
Energy: 1.706227867026745
Energy: 1.433843792066664
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Energy: 1.61660781737554
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Energy: 1.6375019028017834
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Energy: 1.3636394343151959
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Energy: 1.4341397011537278
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Energy: 1.3901521279968156
Energy: 1.351609943311863
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Energy: 1.872293338992361
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Energy: 1.5233137403292456
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Energy: 1.8645578330024692
Energy: 1.3764393668756822
Energy: 1.3763722373798288
Energy: 1.6716110838903218
Energy: 1.376916955997521

minimum gb energy = 1.2409367513570437 eV
minimum distance =  2.22688733578001 Angstroms
sigma value = 219


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

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Energy: 1.3189859242849702
Energy: 1.9648797809323095
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Energy: 1.3753239884705817
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Energy: 1.4724011654755471
Energy: 1.6017841298791344
Energy: 1.3396173688228472
Energy: 1.31867539604107
Energy: 1.5154202812610091

minimum gb energy = 1.2080928862988192 eV
minimum distance =  2.28943018117155 Angstroms
sigma value = 15


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

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Energy: 1.9665953168340613
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minimum gb energy = 1.4121051489204397 eV
minimum distance =  2.21897659718534 Angstroms
sigma value = 293


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

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Energy: 1.6714233816022532
Energy: 1.5882874529604654
Energy: 1.5008118144815397
Energy: 1.4508723474679717
Energy: 1.5218287363384624
Energy: 1.628403259173144
Energy: 1.6714233816022532
Energy: 1.5882874529604654
Energy: 1.5008118144815397
Energy: 1.4508723474675675
Energy: 1.7693003324096883
Energy: 1.8683343190248944
Energy: 1.5216654863012924
Energy: 2.0859085750143156
Energy: 1.5169433578679443
Energy: 1.8684932694368555
Energy: 1.7693003324100922
Energy: 1.8683343190248944
Energy: 1.5216654863008885
Energy: 2.0859085750147193
Energy: 1.6707862454120617
Energy: 1.628288456594746
Energy: 1.5220674722033327
Energy: 1.4508436734798433
Energy: 1.5008387208085674
Energy: 1.588322694442759
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Energy: 1.628288456594746
Energy: 1.5220674722025245
Energy: 1.450843673479439
Energy: 1.6278959538403173
Energy: 1.717629271467628
Energy: 1.7016729938757598
Energy: 1.6934521289600801
Energy: 1.5888194207422106
Energy: 1.4256568367541218
Energy: 1.6278959538403173
Energy: 1.717629271467628
Energy: 1.7016729938749515
Energy: 1.693452128959676
Energy: 1.9417299159926362
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Energy: 1.6205291489071911
Energy: 1.4554535232501409
Energy: 1.5665525210395306
Energy: 1.595184440016851
Energy: 1.6895800060038577
Energy: 1.6426240099036142
Energy: 1.4270025733763965
Energy: 1.4554535232501409
Energy: 1.5665525210391267
Energy: 1.5951844400164468
Energy: 1.6895800060046655
Energy: 1.4678369145056651
Energy: 1.50570197351306
Energy: 1.50996212001124
Energy: 1.78295957422265
Energy: 1.7216829717232733
Energy: 1.9093351466903332
Energy: 1.467836914506877
Energy: 1.5057019735126558
Energy: 1.50996212001124
Energy: 1.782959574223862
Energy: 1.4974066802501893
Energy: 1.6655199607597293
Energy: 1.7225023684536402
Energy: 1.9907134381415856
Energy: 1.6975275631703428
Energy: 1.7108797214907259
Energy: 1.4974066802505934
Energy: 1.6655199607601334
Energy: 1.722502368454448
Energy: 1.9907134381411817
Energy: 1.5178826532246
Energy: 1.4840835417263156
Energy: 1.482941605705438
Energy: 1.5183960146802282
Energy: 1.6070148291395734
Energy: 1.6056704846420202
Energy: 1.517882653224196
Energy: 1.4840835417263156
Energy: 1.4829416057046299
Energy: 1.5183960146802282
Energy: 1.9893493765524688
Energy: 1.7160928538646676
Energy: 1.6654144608307069
Energy: 1.4969445199234872
Energy: 1.711064926214744
Energy: 1.697353521466241
Energy: 1.989349376552065
Energy: 1.7160928538654756
Energy: 1.665414460831111
Energy: 1.4969445199234872
Energy: 1.7793567482442176
Energy: 1.510039031841597
Energy: 1.5137708126386342
Energy: 1.4678010649017517
Energy: 1.9093302687027593
Energy: 1.7217223246521287
Energy: 1.7793567482450257
Energy: 1.510039031842405
Energy: 1.5137708126378264
Energy: 1.4678010649021558
Energy: 1.6864707297379655
Energy: 1.6462056487976233
Energy: 1.5665525210407427
Energy: 1.4554426868345645
Energy: 1.4230265190406042
Energy: 1.6426240099048262
Energy: 1.6864707297379655
Energy: 1.6462056487980274
Energy: 1.5665525210399347
Energy: 1.4554426868353725
Energy: 1.6188750716411369
Energy: 1.8164164120701822
Energy: 1.6875698788504083
Energy: 1.9612699473759192
Energy: 1.6050336243142285
Energy: 1.7481716920887
Energy: 1.6188750716407332
Energy: 1.8164164120701822
Energy: 1.6875698788500042
Energy: 1.9612699473755155

minimum gb energy = 1.4230265190402 eV
minimum distance =  2.22655626825075 Angstroms
sigma value = 293


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

Energy: 1.1946563482305765
Energy: 1.6209524013228191
Energy: 1.2157815079108645
Energy: 1.9996139895140335
Energy: 1.215734650476843
Energy: 1.6209626522270357
Energy: 1.1946563482305765
Energy: 1.6209524013228191
Energy: 1.2157815079108645
Energy: 1.9996139895140335
Energy: 1.41108663483463
Energy: 1.8934807241216314
Energy: 1.216202140980643
Energy: 1.5875295618926943
Energy: 1.587682457249569
Energy: 1.271287382126058
Energy: 1.4110866348353601
Energy: 1.8934807241223617
Energy: 1.2162021409799126
Energy: 1.5875295618934246
Energy: 1.4676705913283072
Energy: 1.1819642571857016
Energy: 1.6744908587113205
Energy: 1.179547344651244
Energy: 1.4436932481881228
Energy: 1.216085895213067
Energy: 1.4676705913283072
Energy: 1.181964257186432
Energy: 1.6744908587113205
Energy: 1.1795473446505136
Energy: 1.6744345428654643
Energy: 1.1816105981323177
Energy: 1.4679447555061769
Energy: 1.2160849499217732
Energy: 1.4437232285757684
Energy: 1.179554496733668
Energy: 1.6744345428647343
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Energy: 1.4679447555054466
Energy: 1.2160849499225035
Energy: 1.216238797584119
Energy: 1.8934807241194405
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Energy: 1.271326421528135
Energy: 1.5876534067971786
Energy: 1.5873812448967117
Energy: 1.216238797584119
Energy: 1.8934807241194405
Energy: 1.4111313114317652
Energy: 1.2713264215274047
Energy: 1.215734650476843
Energy: 1.6446574693429146
Energy: 1.1946563482305765
Energy: 1.6209524013228191
Energy: 1.2157815079108645
Energy: 2.016509617798493
Energy: 1.215734650476843
Energy: 1.6446574693429146
Energy: 1.1946563482305765
Energy: 1.6209524013228191
Energy: 1.587682457249569
Energy: 1.2712873821275184
Energy: 1.41108663483463
Energy: 1.8182610132187478
Energy: 1.2162021409799126
Energy: 1.5875806926305693
Energy: 1.587682457249569
Energy: 1.271287382126058
Energy: 1.41108663483463
Energy: 1.893480724120901
Energy: 1.4436932481881228
Energy: 1.2160858952137972
Energy: 1.4676705913283072
Energy: 1.1819642571857016
Energy: 1.6744908587105904
Energy: 1.1795473446527043
Energy: 1.4436932481881228
Energy: 1.2160858952137972
Energy: 1.4676705913290373
Energy: 1.1819642571857016
Energy: 1.443723228575038
Energy: 1.179554496734398
Energy: 1.6744345428647343
Energy: 1.181610598133048
Energy: 1.4679447555061769
Energy: 1.2160849499225035
Energy: 1.4437232285757684
Energy: 1.179554496734398
Energy: 1.6744345428647343
Energy: 1.181610598133048
Energy: 1.5876534067971786
Energy: 1.5873812448967117
Energy: 1.216238797584119
Energy: 1.8934807241187102
Energy: 1.4111313114317652
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Energy: 1.5873812448959816
Energy: 1.216238797584119
Energy: 1.89348072411798
Energy: 1.2157815079108645
Energy: 1.890678521038438
Energy: 1.215734650476843
Energy: 1.5745832545952874
Energy: 1.194656348231307
Energy: 1.6209524013235495
Energy: 1.2157815079108645
Energy: 1.9862902567282736
Energy: 1.215734650476843
Energy: 1.574583254594557
Energy: 1.216202140980643
Energy: 1.5090925126978518
Energy: 1.587682457249569
Energy: 1.271287382126788
Energy: 1.41108663483463
Energy: 1.7051588678942122
Energy: 1.2162021409799126
Energy: 1.5090925126971215
Energy: 1.587682457249569
Energy: 1.271287382126058
Energy: 1.6744908587113205
Energy: 1.1795473446505136
Energy: 1.4436932481881228
Energy: 1.2160858952137972
Energy: 1.4676705913290373
Energy: 1.1819642571857016
Energy: 1.6744908587113205
Energy: 1.179547344651244
Energy: 1.4436932481873925
Energy: 1.216085895213067
Energy: 1.4679447555054466
Energy: 1.2160849499225035
Energy: 1.4437232285757684
Energy: 1.179554496734398
Energy: 1.6744345428647343
Energy: 1.1816105981323177
Energy: 1.4679447555061769
Energy: 1.2160849499225035
Energy: 1.4437232285757684
Energy: 1.179554496733668
Energy: 1.4111313114317652
Energy: 1.271326421528135
Energy: 1.5876534067971786
Energy: 1.5873812448959816
Energy: 1.216238797584119
Energy: 1.8934807241194405
Energy: 1.4111313114324953
Energy: 1.2713264215274047
Energy: 1.5876534067971786
Energy: 1.5873812448967117
Energy: 1.1946563482305765
Energy: 1.6209524013228191
Energy: 1.2157815079108645
Energy: 1.5886129188656053
Energy: 1.215734650476843
Energy: 1.408196715040302
Energy: 1.1946563482305765
Energy: 1.6209524013228191
Energy: 1.2157815079108645
Energy: 1.9862902567290037
Energy: 1.41108663483463
Energy: 1.5464682513575692
Energy: 1.216202140980643
Energy: 1.3489609563962923
Energy: 1.5876824572488386
Energy: 1.271287382126788
Energy: 1.41108663483463
Energy: 1.705158867893482
Energy: 1.2162021409799126
Energy: 1.3489609563962923
Energy: 1.4676705913290373
Energy: 1.1819642571849716
Energy: 1.6744908587113205
Energy: 1.179547344651974
Energy: 1.4436932481873925
Energy: 1.2160858952137972
Energy: 1.4676705913283072
Energy: 1.1819642571849716
Energy: 1.6744908587113205
Energy: 1.1795473446534344
Energy: 1.6744345428647343
Energy: 1.1816105981323177
Energy: 1.4679447555054466
Energy: 1.2160849499225035
Energy: 1.4437232285757684
Energy: 1.179554496734398
Energy: 1.6744345428647343
Energy: 1.181610598133048
Energy: 1.4679447555061769
Energy: 1.2160849499225035
Energy: 1.216238797584119
Energy: 1.8934807241194405
Energy: 1.4111313114324953
Energy: 1.2713264215274047
Energy: 1.5876534067971786
Energy: 1.5873812448967117
Energy: 1.216238797584119
Energy: 1.8934807241194405
Energy: 1.4111313114324953
Energy: 1.2713264215274047
Energy: 1.215734650476843
Energy: 1.4081967150410326
Energy: 1.1946563482305765
Energy: 1.6209524013235495
Energy: 1.2157815079108645
Energy: 1.6907796784342721
Energy: 1.215734650476843
Energy: 1.4081967150410326
Energy: 1.1946563482305765
Energy: 1.6209524013228191
Energy: 1.587682457250299
Energy: 1.271287382126788
Energy: 1.41108663483463
Energy: 1.5464682513568389
Energy: 1.216202140980643
Energy: 1.3489609563962923
Energy: 1.587682457249569
Energy: 1.271287382126788
Energy: 1.41108663483463
Energy: 1.705158867893482

minimum gb energy = 1.1795473446505136 eV
minimum distance =  2.23681837413446 Angstroms
sigma value = 15


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

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Energy: 1.7602942454593857
Energy: 1.491220430062545
Energy: 1.9444175960827517
Energy: 1.4956382230304988
Energy: 1.6766168513580846
Energy: 1.7566061511041096
Energy: 1.7602942454597168
Energy: 1.491220430062214
Energy: 1.9444175960837446
Energy: 1.6314397297842107
Energy: 1.793593832627174
Energy: 1.5861113125949573
Energy: 1.4772792678274778
Energy: 1.4689835600249084
Energy: 1.6391335538116316
Energy: 1.6314397297835486
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Energy: 1.5861113125956192
Energy: 1.4772792678264848
Energy: 1.6111871887135423
Energy: 1.6863704089757054
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Energy: 1.6111871887135423
Energy: 1.6863704089753744
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Energy: 1.7162459012341043
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Energy: 1.47475031040814
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Energy: 1.7035537535014098
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Energy: 1.6174726619790114
Energy: 1.7142135524481472
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Energy: 1.554697641391999
Energy: 1.7522567618071843
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Energy: 1.5921866508227027
Energy: 1.584749897094716
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Energy: 1.554697641391006
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Energy: 1.6470312688946815
Energy: 1.6901193949469724
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Energy: 1.70639480206618
Energy: 1.4413398929386012
Energy: 1.5765972412332852
Energy: 1.51538328795083
Energy: 1.4848811653121565
Energy: 1.4712429977340287
Energy: 1.682472966632115
Energy: 1.5236214874868221
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Energy: 1.6888854271439095
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Energy: 1.4934297637586236
Energy: 1.6695886894026906
Energy: 1.4421503089072019
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Energy: 1.6508254077966193
Energy: 1.4934297637599476
Energy: 1.6695886894020284
Energy: 1.4421503089072019
Energy: 1.5118087942536869
Energy: 1.6417308263151047
Energy: 1.8948905902843163
Energy: 1.5310629829756623
Energy: 1.8707790113961438
Energy: 1.6483770136731115
Energy: 1.6059762713898145
Energy: 1.6417308263147736
Energy: 1.8948905902849782
Energy: 1.5310629829766553
Energy: 1.8707790113974678
Energy: 1.532881762712992
Energy: 1.5207388431778701
Energy: 1.4608599731656178
Energy: 1.4559244076358135
Energy: 1.612915448190712
Energy: 1.5694702313907163
Energy: 1.532881762713323
Energy: 1.520738843177539
Energy: 1.4608599731652865
Energy: 1.4559244076364755
Energy: 1.661907002135984
Energy: 1.5689997319409457
Energy: 1.8745567219621209
Energy: 1.4695025281956786
Energy: 1.8477090382247545
Energy: 1.6635996906517239
Energy: 1.6619070021369768
Energy: 1.5689997319406146
Energy: 1.8745567219624517
Energy: 1.4695025281960097
Energy: 1.6736439573654605
Energy: 1.6159460232776721
Energy: 1.5116344699289836
Energy: 1.406902253672028
Energy: 1.6456663076637827
Energy: 1.5661512953126429
Energy: 1.6736439573641364
Energy: 1.6159460232773415
Energy: 1.5116344699283217
Energy: 1.4069022536713658
Energy: 1.7353033881342663
Energy: 1.8771204138447806
Energy: 1.5446385986285918
Energy: 1.5596063200368533
Energy: 1.5034310433395455
Energy: 1.6375012628189127
Energy: 1.7353033881345974
Energy: 1.8771204138454427
Energy: 1.5446385986282607
Energy: 1.5596063200371844
Energy: 1.5358690095164673
Energy: 1.6711908577111405
Energy: 1.5141552902882487
Energy: 1.5013715109109105
Energy: 1.4764693692021835
Energy: 1.6828683898807912
Energy: 1.5358690095174603
Energy: 1.6711908577091548
Energy: 1.5141552902875868
Energy: 1.5013715109119037
Energy: 1.676626937502467
Energy: 1.531929001485152
Energy: 1.655809084410503
Energy: 1.4151776042921156
Energy: 1.5243434967825094
Energy: 1.5470847023480074
Energy: 1.6766269375034601
Energy: 1.5319290014841591
Energy: 1.655809084410834
Energy: 1.4151776042927773
Energy: 1.7678699014088308
Energy: 1.6786321278418335
Energy: 1.7357122213866416
Energy: 1.470467323814986
Energy: 1.8771029943861406
Energy: 1.6133623473844605
Energy: 1.7678699014088308
Energy: 1.6786321278421645
Energy: 1.7357122213869727
Energy: 1.4704673238133312
Energy: 1.5410668952147268
Energy: 1.5828995672849118
Energy: 1.558137167854233
Energy: 1.6044930355941478
Energy: 1.4671708701538808
Energy: 1.5300146526567724
Energy: 1.5410668952153888
Energy: 1.5828995672862358
Energy: 1.55813716785324
Energy: 1.6044930355931548
Energy: 1.662189673476345
Energy: 1.5973154266961334
Energy: 1.588120244157956
Energy: 1.8592293314429107
Energy: 1.5781187720351233
Energy: 1.9089439773409254
Energy: 1.6621896734766761
Energy: 1.5973154266961334
Energy: 1.588120244157956
Energy: 1.8592293314422486
Energy: 1.546495866245096
Energy: 1.6426380886617127
Energy: 1.6556627632232805
Energy: 1.5076808754984592
Energy: 1.4429924265764975
Energy: 1.6131406695010881
Energy: 1.546495866246089
Energy: 1.6426380886610505
Energy: 1.6556627632232805
Energy: 1.5076808754981281
Energy: 1.4551525799325706
Energy: 1.714203481445183
Energy: 1.7582137555015027
Energy: 1.6297382364652493
Energy: 1.7571523731321816
Energy: 1.4712358276907482
Energy: 1.4551525799305847
Energy: 1.714203481446176
Energy: 1.7582137555015027
Energy: 1.6297382364655804
Energy: 1.6457035945638299
Energy: 1.549677152035175
Energy: 1.6986209379155128
Energy: 1.5122434978851989
Energy: 1.6063630530362247
Energy: 1.457442886147077
Energy: 1.6457035945654848
Energy: 1.549677152034182
Energy: 1.698620937915844
Energy: 1.5122434978851989
Energy: 1.509865774097374
Energy: 1.812930475541956
Energy: 1.5392623763863997
Energy: 1.72718162514885
Energy: 1.4183724929453254
Energy: 1.5549895553159836
Energy: 1.509865774097374
Energy: 1.8129304755422868
Energy: 1.5392623763840827
Energy: 1.72718162514885
Energy: 1.6251192687708098
Energy: 1.7633928812689716
Energy: 1.736970396022102
Energy: 1.6464324121685225
Energy: 1.462460839131428
Energy: 1.790360286927853
Energy: 1.6251192687701477
Energy: 1.7633928812689716
Energy: 1.736970396022102
Energy: 1.6464324121691545
Energy: 1.4792820549813541
Energy: 1.644977955949836
Energy: 1.709135426675163
Energy: 1.6396150936913056
Energy: 1.601419300429469
Energy: 1.4180026878383163
Energy: 1.4792820549816852
Energy: 1.6449779559501672
Energy: 1.7091354266754941
Energy: 1.6396150936913056
Energy: 1.9268488395466572
Energy: 1.5777479780625077
Energy: 1.5921792906345087
Energy: 1.6655009452870921
Energy: 1.89810062838466
Energy: 1.6082639298377999
Energy: 1.9268488395473191
Energy: 1.5777479780625077
Energy: 1.5921792906341776
Energy: 1.665500945287754
Energy: 1.5962964741119834
Energy: 1.550918993207959
Energy: 1.4917778052047845
Energy: 1.5558692830752838
Energy: 1.539092379267659
Energy: 1.4291636500670142
Energy: 1.5962964741123145
Energy: 1.550918993207959
Energy: 1.4917778052051154
Energy: 1.5558692830752838
Energy: 1.4701853265538751
Energy: 1.5247954020665972
Energy: 1.6635812727280865
Energy: 1.7707767824574203
Energy: 1.6538862617914307
Energy: 1.7934371314856556
Energy: 1.470185326554537
Energy: 1.5247954020675905
Energy: 1.6635812727284174
Energy: 1.7707767824567584
Energy: 1.4149081376934949
Energy: 1.6908367637417452
Energy: 1.5672855548232878
Energy: 1.780110362626085
Energy: 1.5925602257431652
Energy: 1.6070288643344204
Energy: 1.4149081376944879
Energy: 1.6908367637427382
Energy: 1.5672855548239497
Energy: 1.7801103626257542
Energy: 1.4980031024025036
Energy: 1.5025449704670928
Energy: 1.592003714145573
Energy: 1.5257006933005588
Energy: 1.8203934527938501
Energy: 1.4471945227743086
Energy: 1.4980031024025036
Energy: 1.5025449704667617
Energy: 1.5920037141452419
Energy: 1.5257006933002277

minimum gb energy = 1.4056226801463172 eV
minimum distance =  2.2713929345401 Angstroms
sigma value = 437


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

Energy: 1.5383723423848772
Energy: 1.6904350336876546
Energy: 1.5579337066800458
Energy: 1.9418922280297106
Energy: 1.5576137524544706
Energy: 1.6898559483468907
Energy: 1.5383723423824651
Energy: 1.6904350336888605
Energy: 1.5579337066788401
Energy: 1.9418922280285047
Energy: 1.5652867738902632
Energy: 1.7906311956493977
Energy: 1.600012472321766
Energy: 1.5108052755573622
Energy: 1.5798897796353284
Energy: 1.626310381340668
Energy: 1.5652867738902632
Energy: 1.7906311956493977
Energy: 1.600012472319354
Energy: 1.510805275559774
Energy: 1.4862200372695584
Energy: 1.4905849981256485
Energy: 1.8180416226981597
Energy: 1.4999308934767923
Energy: 1.9480059394925404
Energy: 1.4981803993593796
Energy: 1.4862200372683525
Energy: 1.4905849981244426
Energy: 1.8180416226993656
Energy: 1.499930893474381
Energy: 1.8517870085374686
Energy: 1.6165010047350001
Energy: 1.7595457743139449
Energy: 1.4198127860359402
Energy: 1.6194137659266925
Energy: 1.4949545208267798
Energy: 1.8517870085374686
Energy: 1.6165010047350001
Energy: 1.759545774315151
Energy: 1.4198127860347345
Energy: 1.6187002420773047
Energy: 1.4764397673480385
Energy: 1.4934894450235252
Energy: 1.666543013769777
Energy: 1.4315907726056176
Energy: 1.6421494560973289
Energy: 1.6187002420760985
Energy: 1.4764397673468328
Energy: 1.493489445022319
Energy: 1.666543013769777
Energy: 1.5911069130659803
Energy: 1.641769214693495
Energy: 1.4828887204827257
Energy: 1.6208316457829997
Energy: 1.5896229403888282
Energy: 1.4745618943977448
Energy: 1.591106913067186
Energy: 1.641769214693495
Energy: 1.4828887204839318
Energy: 1.6208316457817942
Energy: 1.8154711998117894
Energy: 1.540659721592317
Energy: 1.6909259278743167
Energy: 1.4388383239527112
Energy: 1.782426812563043
Energy: 1.4904463578546103
Energy: 1.8154711998093775
Energy: 1.540659721592317
Energy: 1.6909259278755224
Energy: 1.4388383239527112
Energy: 1.4486596208724887
Energy: 1.5093930023226902
Energy: 1.782433146053467
Energy: 1.4133410718560808
Energy: 1.7861820971289915
Energy: 1.575926101570629
Energy: 1.4486596208712827
Energy: 1.509393002321484
Energy: 1.782433146053467
Energy: 1.4133410718560808
Energy: 1.5658414930566453
Energy: 1.5112343437307758
Energy: 1.7192422363466082
Energy: 1.5107591553608972
Energy: 1.5582529103489278
Energy: 1.723625080595043
Energy: 1.5658414930566453
Energy: 1.5112343437295699
Energy: 1.7192422363454023
Energy: 1.5107591553621031
Energy: 1.6007902842912918
Energy: 1.5274661635527271
Energy: 1.4985973139293833
Energy: 1.5367080960548567
Energy: 1.5959803402934643
Energy: 1.787830933684954
Energy: 1.6007902842949093
Energy: 1.5274661635563447
Energy: 1.4985973139257658
Energy: 1.536708096052445
Energy: 1.6161857187169122
Energy: 1.537431230212
Energy: 1.6030284991598842
Energy: 1.4136036400425984
Energy: 1.5060127524590294
Energy: 1.6106641178159278
Energy: 1.6161857187120887
Energy: 1.537431230213206
Energy: 1.6030284991598842
Energy: 1.4136036400438041
Energy: 1.6784382234548572
Energy: 1.5090889725345382
Energy: 1.9522117506109606
Energy: 1.4957450893259208
Energy: 1.9521841835260136
Energy: 1.5091181880813984
Energy: 1.6784382234560629
Energy: 1.5090889725345382
Energy: 1.9522117506109606
Energy: 1.4957450893271267
Energy: 1.6164144708023491
Energy: 1.5709520189709942
Energy: 1.5060127524590294
Energy: 1.4136503041893749
Energy: 1.6028166742558834
Energy: 1.5373502942681752
Energy: 1.616414470803555
Energy: 1.5709520189709942
Energy: 1.5060127524590294
Energy: 1.4136503041893749
Energy: 1.6225766071052583
Energy: 1.7878110092064583
Energy: 1.5973201811782207
Energy: 1.5373902149262508
Energy: 1.482412991906467
Energy: 1.5214597531511693
Energy: 1.6225766071052583
Energy: 1.7878110092076644
Energy: 1.5973201811806323
Energy: 1.5373902149262508

minimum gb energy = 1.4133410718560808 eV
minimum distance =  2.22362546331999 Angstroms
sigma value = 33