Model name: model_name=EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000077366829
cohesive_energy=4.450350029951057
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.018158169611139845
Energy: 1.392975490913652
Energy: 0.018158169611139845
Energy: 1.392975490913946
Energy: 0.018158169611139845
Energy: 1.392975490913652
Energy: 1.392975490913946
Energy: 0.3337325268184902
Energy: 1.392975490913946
Energy: 0.3337325268184902
Energy: 1.392975490913946
Energy: 0.333732526818821
Energy: 0.018158169611139845
Energy: 1.392975490913652
Energy: 0.018158169611139845
Energy: 1.392975490913946
Energy: 0.018158169611139845
Energy: 1.392975490913946
Energy: 1.392975490913946
Energy: 0.3337325268184902
Energy: 1.392975490913946
Energy: 0.3337325268184902
Energy: 1.392975490913946
Energy: 0.333732526818821
Energy: 0.018158169611139845
Energy: 1.392975490913946
Energy: 0.018158169611139845
Energy: 1.392975490913652
Energy: 0.018158169611139845
Energy: 1.392975490913652
Energy: 1.392975490913946
Energy: 0.3337325268184902
Energy: 1.392975490913652
Energy: 0.3337325268184902
Energy: 1.392975490913946
Energy: 0.8466112163948568

minimum gb energy = 0.018158169611139845 eV
minimum distance =  2.42893063650585 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.5869612927889052
Energy: 1.497944883365303
Energy: 1.5869612927889052
Energy: 1.4979448833660995
Energy: 1.5869612927897012
Energy: 1.4979448833660995
Energy: 1.740328724903846
Energy: 1.402431435747934
Energy: 1.7403287249126038
Energy: 1.402431435747934
Energy: 1.740328724917381
Energy: 1.402431435747934
Energy: 1.5330816982987605
Energy: 1.5978589065903936
Energy: 1.5330816982987605
Energy: 1.597858906591986
Energy: 1.5330816982995568
Energy: 1.5978589065911895
Energy: 1.727226843023011
Energy: 1.459466777746084
Energy: 1.7272268430238074
Energy: 1.459466777746084
Energy: 1.7272268430206223
Energy: 1.459466777746084
Energy: 1.5141507251066493
Energy: 1.5852241868302777
Energy: 1.5141507251082416
Energy: 1.5852241868262966
Energy: 1.5141507251066493
Energy: 1.5852241868302777
Energy: 1.6165252680610185
Energy: 1.4181107760286114
Energy: 1.6165252680602222
Energy: 1.4181107760286114
Energy: 1.6165252680602222
Energy: 1.4181107760294076
Energy: 1.4962279652783221
Energy: 1.5525629116068593
Energy: 1.4962279652767299
Energy: 1.5525629116076556
Energy: 1.4962279652783221
Energy: 1.5525629116068593
Energy: 1.4547630449638376
Energy: 1.6718078429647456
Energy: 1.4547630449630415
Energy: 1.6718078429623575
Energy: 1.4547630449630415
Energy: 1.6718078429663383
Energy: 1.629804745054417
Energy: 1.5539052055494864
Energy: 1.6298047450552133
Energy: 1.5539052055494864
Energy: 1.6298047450552133
Energy: 1.5539052055494864
Energy: 1.3784062228667937
Energy: 1.650552022203144
Energy: 1.3784062228691825
Energy: 1.6505520222134944
Energy: 1.37840622286759
Energy: 1.650552022203144
Energy: 1.862330440173608
Energy: 1.4166660833860794
Energy: 1.8623304401704233
Energy: 1.4166660833860794
Energy: 1.8623304401712193
Energy: 1.4166660833860794
Energy: 1.3583963336297011
Energy: 1.4881245695778136
Energy: 1.3583963336297011
Energy: 1.488124569566667
Energy: 1.3583963336297011
Energy: 1.4881245695515395
Energy: 1.7725973718354417
Energy: 1.3485399354730632
Energy: 1.7725973718314607
Energy: 1.348539935472267
Energy: 1.772597371832257
Energy: 1.348539935472267
Energy: 1.444969000696394
Energy: 1.4960154059146833
Energy: 1.444969000696394
Energy: 1.496015405913887
Energy: 1.444969000696394
Energy: 1.4960154059146833
Energy: 1.7713334527986941
Energy: 1.3888523391337564
Energy: 1.771333452797102
Energy: 1.3888523391329601
Energy: 1.7713334528018791
Energy: 1.3888523391337564
Energy: 1.76412950988463
Energy: 1.6002325001008186
Energy: 1.7641295098822412
Energy: 1.6002325001016149
Energy: 1.7641295098838337
Energy: 1.6002325001024111
Energy: 1.5326396885951856
Energy: 1.5302234286270955
Energy: 1.5326396885959819
Energy: 1.5302234286286878
Energy: 1.5326396885951856
Energy: 1.5302234286278915
Energy: 1.5327192236206628
Energy: 1.4784936785865932
Energy: 1.5327192236214588
Energy: 1.4784936785865932
Energy: 1.5327192236198663
Energy: 1.4784936785865932
Energy: 1.4135484716513647
Energy: 1.4583296437267108
Energy: 1.4135484716521607
Energy: 1.4583296437275068
Energy: 1.4135484716521607
Energy: 1.4583296437267108
Energy: 1.6185560307348519
Energy: 1.4180156251576628
Energy: 1.6185560307324631
Energy: 1.4180156251576628
Energy: 1.61855603073724
Energy: 1.4180156251576628
Energy: 1.4249206635356209
Energy: 1.6810880095255878
Energy: 1.4249206635356209
Energy: 1.6810880095319576
Energy: 1.4249206635364173
Energy: 1.6810880095287728
Energy: 1.6111426617267803
Energy: 1.5556765447581729
Energy: 1.6111426617275766
Energy: 1.5556765447581729
Energy: 1.6111426617275766
Energy: 1.555676544757377
Energy: 1.3501596114188548
Energy: 1.7001488016700226
Energy: 1.3501596114220398
Energy: 1.7001488016692266
Energy: 1.3501596114180585
Energy: 1.7001488016684303

minimum gb energy = 1.348539935472267 eV
minimum distance =  2.27069326133368 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.706910555337702
Energy: 1.7015179555604425
Energy: 1.5806743408774848
Energy: 1.7015179555577253
Energy: 1.7069105553426833
Energy: 1.7015179555608952
Energy: 1.718608017383715
Energy: 1.4765107877133954
Energy: 1.7186080173850737
Energy: 1.476510787707961
Energy: 1.7186080173819038
Energy: 1.4765107877106785
Energy: 1.4371032529989032
Energy: 1.3760186695190701
Energy: 1.4371032530047907
Energy: 1.3760186695281273
Energy: 1.4371032530075076
Energy: 1.3760186695267689
Energy: 1.796565826222582
Energy: 1.674624142739066
Energy: 1.7965658262239406
Energy: 1.674624142739066
Energy: 1.7965658262194117
Energy: 1.6746241427449533
Energy: 1.5786993643958585
Energy: 1.4632853466177254
Energy: 1.5786993643963114
Energy: 1.4632853466095739
Energy: 1.5786993643935943
Energy: 1.4632853466154612
Energy: 1.4766890877119083
Energy: 1.4376386021341256
Energy: 1.4766890877082852
Energy: 1.437699656959204
Energy: 1.4766890877033036
Energy: 1.4376386021318615
Energy: 1.5061840202842254
Energy: 1.459990520378582
Energy: 1.506184020177389
Energy: 1.581321345514624
Energy: 1.5061840202325985
Energy: 1.4599905204333794
Energy: 1.3348210912965628
Energy: 1.5115407290374805
Energy: 1.33482109129611
Energy: 1.5115407289043776
Energy: 1.334821091303356
Energy: 1.511540728751843
Energy: 1.4220604912353743
Energy: 1.4406589427910523
Energy: 1.422060491240356
Energy: 1.4406589427910523
Energy: 1.4220604912417145
Energy: 1.4406589427847123
Energy: 1.407077020630876
Energy: 1.5056133299185843
Energy: 1.407069296766797
Energy: 1.5056133298783203
Energy: 1.4070770206290646
Energy: 1.505613329854771
Energy: 1.6824219491284929
Energy: 1.4113974583950215
Energy: 1.6824219491271755
Energy: 1.411397458397286
Energy: 1.6824219491267225
Energy: 1.4113974583977387
Energy: 1.4369450920568843
Energy: 1.5389813307719977
Energy: 1.4369456389325874
Energy: 1.5389813307733566
Energy: 1.4369450920555256
Energy: 1.5389813307665634
Energy: 1.409075867248217
Energy: 1.4334705022432146
Energy: 1.4090758672726722
Energy: 1.4334705022477434
Energy: 1.4090758673138832
Energy: 1.4334705022500078
Energy: 1.5818803252122589
Energy: 1.5050435543990799
Energy: 1.5818803252095415
Energy: 1.5050435544008915
Energy: 1.5818803252140703
Energy: 1.5050435544117604
Energy: 1.59332753624747
Energy: 1.476483585498846
Energy: 1.5933275362515458
Energy: 1.4764835854929586
Energy: 1.5933275362497343
Energy: 1.4764835854897886
Energy: 1.4374801022671095
Energy: 1.3763655408976925
Energy: 1.4374801022716384
Energy: 1.3763655408967865
Energy: 1.4374801022680155
Energy: 1.3763655409026738
Energy: 1.8056141266883974
Energy: 1.6333489940445267
Energy: 1.8056141266811516
Energy: 1.6333489940390924
Energy: 1.8056141266897558
Energy: 1.6333489940422623
Energy: 1.578024511775241
Energy: 1.4371175245741024
Energy: 1.5780245117765996
Energy: 1.4372315762926666
Energy: 1.5780245117833926
Energy: 1.4371175245772725
Energy: 1.474611256236275
Energy: 1.5000695765262289
Energy: 1.474611256242615
Energy: 1.460071911605468
Energy: 1.4746112562412566
Energy: 1.5000695765284933
Energy: 1.7030760522048138
Energy: 1.5853953178461018
Energy: 1.7030760522052664
Energy: 1.6488092518036632
Energy: 1.7030760522075308
Energy: 1.5853953178533475
Energy: 1.3313775805007253
Energy: 1.4850440550310746
Energy: 1.331377580501178
Energy: 1.4850440550827018
Energy: 1.3313775805038954
Energy: 1.4850440551256832
Energy: 1.333841936334185
Energy: 1.4421493269432912
Energy: 1.3338419363328262
Energy: 1.4421493269505372
Energy: 1.3338419363346377
Energy: 1.442149326936951
Energy: 1.4065476633355896
Energy: 1.5427661926332592
Energy: 1.4065546491682313
Energy: 1.542766191930693
Energy: 1.406547663337401
Energy: 1.5427661913168897
Energy: 1.5264883667664428
Energy: 1.5784304756096283
Energy: 1.526488366635193
Energy: 1.5784304756100813
Energy: 1.5264883665541291
Energy: 1.578430475603288
Energy: 1.4369046294123342
Energy: 1.4822191486091785
Energy: 1.4369168830427117
Energy: 1.482219148608273
Energy: 1.4369046294145984
Energy: 1.482219148608273
Energy: 1.495891484869711
Energy: 1.5084260771866107
Energy: 1.5806274665275322
Energy: 1.5084260772051785
Energy: 1.4958914847434426
Energy: 1.50842607720382
Energy: 1.4847394964098017
Energy: 1.406278663184053
Energy: 1.5805170392804055
Energy: 1.4062786631989974
Energy: 1.4847394964256522
Energy: 1.4062786631922044
Energy: 1.4371591467437477
Energy: 1.476311447861063
Energy: 1.4371591467432947
Energy: 1.476311447862875
Energy: 1.4371591467460119
Energy: 1.4763114478642334
Energy: 1.5053791873923559
Energy: 1.4756654051314069
Energy: 1.5053791873674893
Energy: 1.475665405127784
Energy: 1.505379187330807
Energy: 1.475665405134577
Energy: 1.4064275595476414
Energy: 1.526420209989228
Energy: 1.4064275595476414
Energy: 1.5264202099819817
Energy: 1.4064275595503588
Energy: 1.5264202099960207
Energy: 1.5774284405130568
Energy: 1.4405738415973337
Energy: 1.5774284405229788
Energy: 1.4407990282806196
Energy: 1.5774284405229788
Energy: 1.4405738415923521
Energy: 1.4323066045721637
Energy: 1.454883684241534
Energy: 1.4323066045748811
Energy: 1.5548962635335333
Energy: 1.4323066045753339
Energy: 1.454883684980741
Energy: 1.7032448480597453
Energy: 1.648846380146198
Energy: 1.7032448480710671
Energy: 1.5853918359563424
Energy: 1.7032448480697082
Energy: 1.6488463801484625
Energy: 1.4782920112266689
Energy: 1.5932760608100376
Energy: 1.478292011223046
Energy: 1.5932760608032448
Energy: 1.4782920112284803
Energy: 1.5932760608077732
Energy: 1.4284972154106494
Energy: 1.4375908420147208
Energy: 1.4284972154115552
Energy: 1.437590842019702
Energy: 1.4284972154061208
Energy: 1.4375908420088335
Energy: 1.6773769493646518
Energy: 1.529180056869751
Energy: 1.6773769493628403
Energy: 1.529180056831751
Energy: 1.6773769493687274
Energy: 1.5291800567968798
Energy: 1.4371701292987462
Energy: 1.5780190286120404
Energy: 1.4371819190924484
Energy: 1.5780190286147573
Energy: 1.4371701292978403
Energy: 1.5780190286120404
Energy: 1.5014830823411847
Energy: 1.4746117050475875
Energy: 1.501483082353865
Energy: 1.4746117050466816
Energy: 1.5014830823570353
Energy: 1.4746117050471346
Energy: 1.5816109007859889
Energy: 1.7195381859895988
Energy: 1.5816109007855361
Energy: 1.7195381859945802
Energy: 1.5816109007837658
Energy: 1.7195381859877874
Energy: 1.6724664313222102
Energy: 1.3325754672678176
Energy: 1.6724664313249276
Energy: 1.3325754672718932
Energy: 1.672466431323116
Energy: 1.3325754672687231
Energy: 1.4368686088240294
Energy: 1.4203082832484093
Energy: 1.4368686088190479
Energy: 1.4203082832470506
Energy: 1.4368686088253881
Energy: 1.4203082832547493

minimum gb energy = 1.3313775805007253 eV
minimum distance =  2.36154299549671 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.5638641404989175
Energy: 1.583383189216993
Energy: 1.5638641404989175
Energy: 1.583383189216993
Energy: 1.5638641404989175
Energy: 1.5833831892159438
Energy: 1.694280264939115
Energy: 1.487202111416329
Energy: 1.694280264940164
Energy: 1.487202111416329
Energy: 1.694280264939115
Energy: 1.487202111416329
Energy: 1.4788755119049124
Energy: 1.57381924932857
Energy: 1.4788755119059618
Energy: 1.5738192493233236
Energy: 1.4788755119049124
Energy: 1.57381924932857
Energy: 1.5620279278620863
Energy: 1.3624381067920743
Energy: 1.562027927863136
Energy: 1.3624381067910252
Energy: 1.562027927863136
Energy: 1.3624381067920743
Energy: 1.5787098834758357
Energy: 1.50467421478303
Energy: 1.5787098834768851
Energy: 1.5046742147840795
Energy: 1.5787098834758357
Energy: 1.50467421478303
Energy: 1.580959506678521
Energy: 1.5041604944049396
Energy: 1.5809595066774718
Energy: 1.5041604944038904
Energy: 1.580959506678521
Energy: 1.5041604944049396
Energy: 1.511478195450111
Energy: 1.5040815135192676
Energy: 1.5114781954490617
Energy: 1.5040815135192676
Energy: 1.511478195450111
Energy: 1.5040815135192676
Energy: 1.4319660028863215
Energy: 1.505773957751493
Energy: 1.4319660028863215
Energy: 1.505773957751493
Energy: 1.4319660028863215
Energy: 1.505773957751493
Energy: 1.7927884683525737
Energy: 1.3579424300526979
Energy: 1.792788468354672
Energy: 1.3579424300526979
Energy: 1.7927884683536226
Energy: 1.3579424300536993
Energy: 1.395396144017677
Energy: 1.7977606681927893
Energy: 1.395396144017677
Energy: 1.7977606681927893
Energy: 1.395396144017677
Energy: 1.7977606681927893
Energy: 1.6671639492685502
Energy: 1.3662297622159383
Energy: 1.667163949269599
Energy: 1.3662297622159383
Energy: 1.667163949269599
Energy: 1.3662297622159383
Energy: 1.5640074512066042
Energy: 1.5858732353333695
Energy: 1.5640074512076534
Energy: 1.5858732353333695
Energy: 1.5640074512066042
Energy: 1.5858732353333695
Energy: 1.6901879845981143
Energy: 1.483622444370028
Energy: 1.6901879846002126
Energy: 1.483622444370028
Energy: 1.6901879845960157
Energy: 1.483622444370028
Energy: 1.478976854135364
Energy: 1.4624339198875473
Energy: 1.478976854135364
Energy: 1.4624339198885965
Energy: 1.4789768541364132
Energy: 1.4624339198875473
Energy: 1.5374593864815576
Energy: 1.5638031951822835
Energy: 1.5374593864815576
Energy: 1.5638031951822835
Energy: 1.5374593864815576
Energy: 1.5638031951822835
Energy: 1.57959803455099
Energy: 1.5039725162789261
Energy: 1.579598034552039
Energy: 1.5039725162799755
Energy: 1.5795980345499405
Energy: 1.5039725162799755
Energy: 1.5808447947451456
Energy: 1.638326077363692
Energy: 1.5808447947451456
Energy: 1.6383260773615935
Energy: 1.5808447947451456
Energy: 1.6383260773605444
Energy: 1.5569689892033343
Energy: 1.5045975292968403
Energy: 1.5569689892033343
Energy: 1.5045975292978895
Energy: 1.5569689892033343
Energy: 1.5045975292978895

minimum gb energy = 1.3579424300526979 eV
minimum distance =  2.27470670673605 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.3013994442310632
Energy: 1.3008206660383714
Energy: 1.3013994442304408
Energy: 1.300820666037749
Energy: 1.3013994442298185
Energy: 1.300820666037749
Energy: 1.4518921040271122
Energy: 1.5759304236616298
Energy: 1.45189210402649
Energy: 1.5759304236610072
Energy: 1.4518921040271122
Energy: 1.5759304236610072
Energy: 1.226503947359134
Energy: 1.5750092882012277
Energy: 1.226503947359134
Energy: 1.5750092882024724
Energy: 1.226503947359134
Energy: 1.57500928820185
Energy: 1.3738880362102868
Energy: 1.2265111281998846
Energy: 1.3738880362096642
Energy: 1.226511128200507
Energy: 1.3738880362102868
Energy: 1.2265111281998846
Energy: 1.2705645439039952
Energy: 1.299974578076877
Energy: 1.2705645439027502
Energy: 1.299974578076877
Energy: 1.2705645439039952
Energy: 1.299974578076877
Energy: 1.2705572268569822
Energy: 1.3001290632684588
Energy: 1.2705572268582273
Energy: 1.3001290632684588
Energy: 1.2705572268576046
Energy: 1.3001290632684588
Energy: 1.3739212665661393
Energy: 1.2264325761869161
Energy: 1.3739212665673841
Energy: 1.2264325761869161
Energy: 1.3739212665661393
Energy: 1.2264325761869161
Energy: 1.2264544776213055
Energy: 1.5749450677236285
Energy: 1.2264544776213055
Energy: 1.5749450677230061
Energy: 1.2264544776206836
Energy: 1.5749450677223835
Energy: 1.451989597354213
Energy: 1.576060172218661
Energy: 1.4519895973535908
Energy: 1.576060172218661
Energy: 1.4519895973535908
Energy: 1.576060172218661
Energy: 1.3013994442310632
Energy: 1.300820666037749
Energy: 1.3013994442310632
Energy: 1.3008206660383714
Energy: 1.3013994442304408
Energy: 1.300820666037749
Energy: 1.4518921040258677
Energy: 1.5759304236616298
Energy: 1.4518921040271122
Energy: 1.5759304236610072
Energy: 1.4518921040277348
Energy: 1.5759304236610072
Energy: 1.226503947359134
Energy: 1.5750092882012277
Energy: 1.2265039473585118
Energy: 1.5750092882006053
Energy: 1.226503947359134
Energy: 1.5750092882012277
Energy: 1.3738880362096642
Energy: 1.226511128200507
Energy: 1.373888036209042
Energy: 1.2265111281998846
Energy: 1.3738880362096642
Energy: 1.2265111281998846
Energy: 1.2705645439046176
Energy: 1.299974578076877
Energy: 1.2705645439033726
Energy: 1.2999745780762548
Energy: 1.2705645439033726
Energy: 1.299974578076877
Energy: 1.2705572268569822
Energy: 1.3001290632684588
Energy: 1.2705572268563599
Energy: 1.3001290632684588
Energy: 1.2705572268582273
Energy: 1.3001290632684588
Energy: 1.373921266566762
Energy: 1.2264325761869161
Energy: 1.3739212665673841
Energy: 1.2264325761869161
Energy: 1.373921266566762
Energy: 1.2264325761869161
Energy: 1.2264544776206836
Energy: 1.574945067721139
Energy: 1.2264544776213055
Energy: 1.5749450677223835
Energy: 1.2264544776213055
Energy: 1.574945067721139
Energy: 1.4519895973535908
Energy: 1.576060172218661
Energy: 1.451989597354213
Energy: 1.576060172218661
Energy: 1.4519895973535908
Energy: 1.5760601722180383
Energy: 1.3013994442310632
Energy: 1.3008206660371264
Energy: 1.3013994442304408
Energy: 1.300820666037749
Energy: 1.3013994442304408
Energy: 1.300820666037749
Energy: 1.45189210402649
Energy: 1.5759304236610072
Energy: 1.4518921040271122
Energy: 1.5759304236610072
Energy: 1.4518921040277348
Energy: 1.5759304236610072
Energy: 1.226503947359134
Energy: 1.5750092882012277
Energy: 1.226503947359134
Energy: 1.5750092882030948
Energy: 1.2265039473585118
Energy: 1.5750092882012277
Energy: 1.3738880362115315
Energy: 1.2265111281998846
Energy: 1.373888036209042
Energy: 1.226511128200507
Energy: 1.373888036209042
Energy: 1.226511128200507
Energy: 1.2705645439039952
Energy: 1.299974578076877
Energy: 1.2705645439027502
Energy: 1.299974578076877
Energy: 1.2705645439033726
Energy: 1.299974578076877
Energy: 1.2705572268569822
Energy: 1.3001290632684588
Energy: 1.2705572268569822
Energy: 1.3001290632684588
Energy: 1.2705572268569822
Energy: 1.3001290632684588
Energy: 1.373921266566762
Energy: 1.2264325761869161
Energy: 1.373921266566762
Energy: 1.2264325761869161
Energy: 1.3739212665661393
Energy: 1.2264325761869161
Energy: 1.2264544776206836
Energy: 1.574945067724251
Energy: 1.2264544776206836
Energy: 1.5749450677217616
Energy: 1.2264544776213055
Energy: 1.574945067721139
Energy: 1.451989597354213
Energy: 1.5760601722180383
Energy: 1.4519895973535908
Energy: 1.576060172218661
Energy: 1.4519895973535908
Energy: 1.576060172218661
Energy: 1.3013994442304408
Energy: 1.300820666037749
Energy: 1.3013994442304408
Energy: 1.3008206660383714
Energy: 1.3013994442304408
Energy: 1.300820666037749
Energy: 1.4518921040271122
Energy: 1.5759304236616298
Energy: 1.4518921040271122
Energy: 1.5759304236616298
Energy: 1.4518921040271122
Energy: 1.5759304236610072
Energy: 1.226503947359134
Energy: 1.5750092882012277
Energy: 1.226503947359134
Energy: 1.5750092882012277
Energy: 1.2265039473585118
Energy: 1.57500928820185

minimum gb energy = 1.2264325761869161 eV
minimum distance =  2.28221389380926 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.2876271809623259
Energy: 1.2373283351393976
Energy: 1.2876271809623259
Energy: 1.2373283351393976
Energy: 1.2876271809623259
Energy: 1.237328335140922
Energy: 1.4825913688493466
Energy: 1.3061587709716131
Energy: 1.4825913688554446
Energy: 1.3061587709700884
Energy: 1.4825913688462973
Energy: 1.3061587709716131
Energy: 1.1867950939575946
Energy: 1.4737387074158081
Energy: 1.1867950939575946
Energy: 1.4737387074173325
Energy: 1.1867950939575946
Energy: 1.4737387074173325
Energy: 1.4575024061561277
Energy: 1.1988255438474187
Energy: 1.4575024061561277
Energy: 1.1988255438474187
Energy: 1.457502406154603
Energy: 1.1988255438474187
Energy: 1.522534192430165
Energy: 1.1990370162676465
Energy: 1.522534192430165
Energy: 1.1990370162676465
Energy: 1.522534192430165
Energy: 1.1990370162676465
Energy: 1.468809135691278
Energy: 1.5440497780395797
Energy: 1.468809135691278
Energy: 1.5440497780395797
Energy: 1.4688091356928028
Energy: 1.5440497780395797
Energy: 1.2950979653285686
Energy: 1.3090040108851748
Energy: 1.2950979653285686
Energy: 1.3090040108851748
Energy: 1.2950979653300931
Energy: 1.3090040108851748
Energy: 1.2843528767206
Energy: 1.2422937803432776
Energy: 1.2843528767206
Energy: 1.2422937803432776
Energy: 1.2843528767206
Energy: 1.2422937803432776
Energy: 1.38488838391026
Energy: 1.305211631868182
Energy: 1.3848883839026371
Energy: 1.3052187692216128
Energy: 1.38488838391026
Energy: 1.3051905421027397
Energy: 1.4080951943785711
Energy: 1.4825568549554093
Energy: 1.408095194380096
Energy: 1.4825568549554093
Energy: 1.408095194380096
Energy: 1.4825568549554093
Energy: 1.2927666825946786
Energy: 1.1992309773666952
Energy: 1.2927666825946786
Energy: 1.1992309773651704
Energy: 1.2927666825946786
Energy: 1.1992309773651704
Energy: 1.523388255790941
Energy: 1.3854382069575704
Energy: 1.5233882557924656
Energy: 1.3854382069590951
Energy: 1.5233882557924656
Energy: 1.3854382069575704

minimum gb energy = 1.1867950939575946 eV
minimum distance =  2.26063505070526 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.290571527491475
Energy: 1.241257641496947
Energy: 1.2905715274919036
Energy: 1.241257641496947
Energy: 1.290571527492332
Energy: 1.2412576414973755
Energy: 1.3746638898974486
Energy: 1.2059389611736138
Energy: 1.3746638899120132
Energy: 1.2059389611736138
Energy: 1.374663889917582
Energy: 1.205938961174042
Energy: 1.1454262280590872
Energy: 1.418915905629348
Energy: 1.1454262280612288
Energy: 1.4189159056297762
Energy: 1.1454262280590872
Energy: 1.4189159056310614
Energy: 1.159716076018345
Energy: 1.119695657553536
Energy: 1.1597160760179166
Energy: 1.119695657553536
Energy: 1.159716076016203
Energy: 1.119695657553536
Energy: 1.2479662746536326
Energy: 1.198633353219503
Energy: 1.2479662746536326
Energy: 1.1986333532190747
Energy: 1.2479662746532043
Energy: 1.198633353219503
Energy: 1.2621251917207756
Energy: 1.2435591732336022
Energy: 1.2621251917190621
Energy: 1.243559173234459
Energy: 1.2621251917207756
Energy: 1.2435591732336022
Energy: 1.1842042298241842
Energy: 1.3127439181933311
Energy: 1.1842042298246125
Energy: 1.3127439181929026
Energy: 1.1842042298254694
Energy: 1.3127439181937592
Energy: 1.0845088210227782
Energy: 1.3056634448685875
Energy: 1.0845088210223501
Energy: 1.3056634448690159
Energy: 1.0845088210223501
Energy: 1.305663444868159
Energy: 1.287341253779456
Energy: 1.1984702507681952
Energy: 1.2873412537820264
Energy: 1.1984702507681952
Energy: 1.2873412537756006
Energy: 1.1984702507681952
Energy: 1.262877108971634
Energy: 1.25460400937099
Energy: 1.2628771089712056
Energy: 1.2546040093697048
Energy: 1.2628771089733473
Energy: 1.2546040093697048
Energy: 1.1596578200403231
Energy: 1.1250522672353154
Energy: 1.1596578200403231
Energy: 1.1250522672357435
Energy: 1.159657820039038
Energy: 1.1250522672357435
Energy: 1.180922655790434
Energy: 1.2130283770322217
Energy: 1.180922655790862
Energy: 1.2130283770313648
Energy: 1.180922655790434
Energy: 1.2130283770313648
Energy: 1.2321442165606245
Energy: 1.2401428578502336
Energy: 1.2321442165601961
Energy: 1.2401428578506617
Energy: 1.2321442165623377
Energy: 1.2401428578506617
Energy: 1.2883152041759216
Energy: 1.2542513221176763
Energy: 1.2883152041776351
Energy: 1.2542513221181046
Energy: 1.2883152041767783
Energy: 1.2542513221181046
Energy: 1.1391487723133729
Energy: 1.2664596983571894
Energy: 1.1391487723129443
Energy: 1.266459698356761
Energy: 1.1391487723133729
Energy: 1.266459698356761
Energy: 1.1605905519314077
Energy: 1.2562961600240712
Energy: 1.1605905519266957
Energy: 1.2562961600236426
Energy: 1.160590551925839
Energy: 1.256296160022786
Energy: 1.460889942838225
Energy: 1.1202479755078754
Energy: 1.460889942838225
Energy: 1.1202479755074473
Energy: 1.4608899428365112
Energy: 1.1202479755065902
Energy: 1.1538782343793539
Energy: 1.1980596715846863
Energy: 1.1538782343793539
Energy: 1.1980596715846863
Energy: 1.1538782343776406
Energy: 1.1980596715846863
Energy: 1.0804100390440774
Energy: 1.4507037344356868
Energy: 1.0804100390453626
Energy: 1.450703734436115
Energy: 1.0804100390445057
Energy: 1.450703734436115
Energy: 1.3697431329022844
Energy: 1.2564326357119784
Energy: 1.3697431329001426
Energy: 1.2564326357094082
Energy: 1.3697431329027128
Energy: 1.2564326357106932
Energy: 1.0800209679265655
Energy: 1.4507797064270171
Energy: 1.080020967924852
Energy: 1.4507797064265886
Energy: 1.0800209679265655
Energy: 1.4507797064270171
Energy: 1.1534137215614306
Energy: 1.198008031707384
Energy: 1.1534137215618592
Energy: 1.198008031707384
Energy: 1.1534137215610023
Energy: 1.198008031707384
Energy: 1.4609190222994473
Energy: 1.1200976885457188
Energy: 1.4609190222998758
Energy: 1.1200976885478606
Energy: 1.4609190222998758
Energy: 1.1200976885457188
Energy: 1.1609781547795825
Energy: 1.2561240618658036
Energy: 1.1609781547795825
Energy: 1.2561240618653755
Energy: 1.1609781547800109
Energy: 1.2561240618653755
Energy: 1.1392349014107301
Energy: 1.266827516618422
Energy: 1.1392349014111585
Energy: 1.266827516618422
Energy: 1.1392349014107301
Energy: 1.2668275166197072
Energy: 1.2881422353400445
Energy: 1.2543287681922106
Energy: 1.288142235339616
Energy: 1.2543287681934958
Energy: 1.2881422353391876
Energy: 1.2543287681934958
Energy: 1.232477165476857
Energy: 1.2404802452116217
Energy: 1.2324771654751436
Energy: 1.2404802452116217
Energy: 1.2324771654764288
Energy: 1.2404802452111934
Energy: 1.1809185054808868
Energy: 1.213251095173052
Energy: 1.18091850548003
Energy: 1.2132510951726234
Energy: 1.1809185054804583
Energy: 1.2132510951734805
Energy: 1.1628136145152443
Energy: 1.1253551336975933
Energy: 1.1628136145143875
Energy: 1.1253551336975933
Energy: 1.1628136145161012
Energy: 1.125355133697165
Energy: 1.262696485318677
Energy: 1.1642422789970988
Energy: 1.2626964853131082
Energy: 1.1642422789907119
Energy: 1.2626964853088245
Energy: 1.164242279000097
Energy: 1.28703663521967
Energy: 1.1984902803933921
Energy: 1.2870366352179565
Energy: 1.1984902803933921
Energy: 1.287036635220955
Energy: 1.1984902803929638
Energy: 1.0845788628390751
Energy: 1.305503608928879
Energy: 1.0845788628399322
Energy: 1.3055036089293075
Energy: 1.0845788628382187
Energy: 1.3055036089284504
Energy: 1.1842624370952024
Energy: 1.3126299097384495
Energy: 1.1842624370956307
Energy: 1.3126299097380212
Energy: 1.184262437096059
Energy: 1.3126299097380212
Energy: 1.2620555492843624
Energy: 1.1743855426176968
Energy: 1.2620555492847905
Energy: 1.1743855426185539
Energy: 1.2620555492856473
Energy: 1.1743855426172687
Energy: 1.2477041209916908
Energy: 1.1983001988054784
Energy: 1.2477041209908342
Energy: 1.1983001988046216
Energy: 1.2477041209925472
Energy: 1.1983001988050501
Energy: 1.1590872900872389
Energy: 1.1194630597964212
Energy: 1.1590872900898093
Energy: 1.119463059795993
Energy: 1.159087290088524
Energy: 1.1194630597955646
Energy: 1.1453031633142086
Energy: 1.4182008654248957
Energy: 1.1453031633142086
Energy: 1.4182008654154714
Energy: 1.1453031633133517
Energy: 1.4182008654009068
Energy: 1.3756725535414656
Energy: 1.2666493452858134
Energy: 1.3756725535423224
Energy: 1.2666493452841
Energy: 1.37567255353761
Energy: 1.2666493452828147
Energy: 1.290571527492332
Energy: 1.241257641496947
Energy: 1.2905715274927603
Energy: 1.2412576414956622
Energy: 1.2905715274919036
Energy: 1.241257641496947
Energy: 1.3746638898940213
Energy: 1.2059389611770406
Energy: 1.374663889922294
Energy: 1.205938961177469
Energy: 1.3746638899227224
Energy: 1.205938961177469
Energy: 1.1454262280612288
Energy: 1.4189159056336318
Energy: 1.1454262280620855
Energy: 1.418915905631918
Energy: 1.1454262280595153
Energy: 1.4189159056284912
Energy: 1.1597160760192018
Energy: 1.1196956575543926
Energy: 1.1597160760179166
Energy: 1.1196956575543926
Energy: 1.1597160760179166
Energy: 1.1196956575543926
Energy: 1.2479662746570594
Energy: 1.1986333532165043
Energy: 1.2479662746566311
Energy: 1.1986333532160762
Energy: 1.2479662746566311
Energy: 1.1986333532177895

minimum gb energy = 1.080020967924852 eV
minimum distance =  2.32826608199785 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.5636725892582102
Energy: 0.5759252168438708
Energy: 0.5636725892582102
Energy: 0.5759252168448459
Energy: 0.5636725892582102
Energy: 0.5759252168448459
Energy: 0.7560351986373686
Energy: 0.7670999329662607
Energy: 0.7560351986373686
Energy: 0.7670999329672358
Energy: 0.7560351986373686
Energy: 0.7670999329643104
Energy: 0.6419182951759007
Energy: 0.7138857994311608
Energy: 0.6419182951768758
Energy: 0.7138857994360366
Energy: 0.6419182951759007
Energy: 0.7138857994301857
Energy: 0.5779620941414572
Energy: 0.5633488562113846
Energy: 0.5779620941424323
Energy: 0.5633488562113846
Energy: 0.577962094140482
Energy: 0.5633488562113846
Energy: 0.7564090010291629
Energy: 0.763949025601752
Energy: 0.7564090010281878
Energy: 0.763949025601752
Energy: 0.7564090010291629
Energy: 0.7639490256027271
Energy: 0.5640319491181263
Energy: 0.641946378890922
Energy: 0.5640319491191014
Energy: 0.641946378890922
Energy: 0.5640319491181263
Energy: 0.641946378890922
Energy: 0.56403082901918
Energy: 0.6418824340954731
Energy: 0.56403082901918
Energy: 0.6418824340925477
Energy: 0.5640308290182049
Energy: 0.6418824340837717
Energy: 0.7563417252168241
Energy: 0.762586648417225
Energy: 0.756341725215849
Energy: 0.762586648417225
Energy: 0.7563417252177992
Energy: 0.762586648417225
Energy: 0.5778976816709555
Energy: 0.5633564561839731
Energy: 0.5778976816709555
Energy: 0.5633564561839731
Energy: 0.5778976816709555
Energy: 0.5633564561839731
Energy: 0.6415961659309684
Energy: 0.7139014627773977
Energy: 0.6415961659309684
Energy: 0.7139014627764225
Energy: 0.6415961659309684
Energy: 0.7139014627764225
Energy: 0.7561935046622688
Energy: 0.7675581592398263
Energy: 0.7561935046632439
Energy: 0.7675581592417766
Energy: 0.7561935046622688
Energy: 0.7675581592388512
Energy: 0.5636725892582102
Energy: 0.5759252168448459
Energy: 0.5636725892582102
Energy: 0.5759252168448459
Energy: 0.5636725892572351
Energy: 0.5759252168448459
Energy: 0.7560351986383438
Energy: 0.7670999329672358
Energy: 0.7560351986373686
Energy: 0.7670999329711363
Energy: 0.7560351986383438
Energy: 0.7670999329672358
Energy: 0.6419182951768758
Energy: 0.7138857994311608
Energy: 0.6419182951759007
Energy: 0.7138857994331111
Energy: 0.6419182951759007
Energy: 0.713885799432136
Energy: 0.5779620941414572
Energy: 0.5633488562113846
Energy: 0.5779620941424323
Energy: 0.5633488562113846
Energy: 0.577962094140482
Energy: 0.5633488562113846
Energy: 0.7564090010262375
Energy: 0.7639490256027271
Energy: 0.7564090010281878
Energy: 0.7639490256027271
Energy: 0.756409001030138
Energy: 0.7639490256027271
Energy: 0.5640319491181263
Energy: 0.641946378890922
Energy: 0.5640319491191014
Energy: 0.641946378890922
Energy: 0.5640319491181263
Energy: 0.641946378890922
Energy: 0.56403082901918
Energy: 0.6418824340779209
Energy: 0.56403082901918
Energy: 0.6418824340837717
Energy: 0.56403082901918
Energy: 0.6418824340837717
Energy: 0.7563417252207246
Energy: 0.762586648417225
Energy: 0.7563417252187743
Energy: 0.762586648417225
Energy: 0.7563417252177992
Energy: 0.762586648417225

minimum gb energy = 0.5633488562113846 eV
minimum distance =  2.41095998714612 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.1271085324634582
Energy: 1.224681334363186
Energy: 1.1271085324613153
Energy: 1.224681334363186
Energy: 1.1271085324613153
Energy: 1.224681334363186
Energy: 1.2633470640403397
Energy: 1.1672897219507141
Energy: 1.2633470640410538
Energy: 1.1672897219507141
Energy: 1.263347064039625
Energy: 1.1672897219514287
Energy: 1.103433021588169
Energy: 1.6644230315731785
Energy: 1.103433021588169
Energy: 1.6644230315738926
Energy: 1.103433021588169
Energy: 1.6644230315731785
Energy: 1.3814890722050612
Energy: 0.9949374863376446
Energy: 1.3814890722064899
Energy: 0.9949374863532942
Energy: 1.3814890722079185
Energy: 0.9949374863504369
Energy: 1.1640027175337473
Energy: 0.9535122441550468
Energy: 1.1640027175337473
Energy: 0.9535122441550468
Energy: 1.1640027175344614
Energy: 0.9535122441557611
Energy: 1.1443257448607445
Energy: 1.0716835995088794
Energy: 1.1443257448578874
Energy: 1.0716835995088794
Energy: 1.1443257448614588
Energy: 1.0716835995088794
Energy: 0.9504164696975161
Energy: 1.368714740891416
Energy: 0.9504164697003733
Energy: 1.3687147409049878
Energy: 0.9504164696989447
Energy: 1.3687147408978448
Energy: 1.2203793134150573
Energy: 0.9155576365179846
Energy: 1.2203793134179144
Energy: 0.9155576365179846
Energy: 1.2203793134150573
Energy: 0.9155576365172703
Energy: 1.2037874641864417
Energy: 0.9202494390011597
Energy: 1.203787464189299
Energy: 0.9202494389997312
Energy: 1.2037874641864417
Energy: 0.9202494389997312
Energy: 0.9424216758382683
Energy: 1.4365870954478708
Energy: 0.9424216758389826
Energy: 1.4365870954478708
Energy: 0.9424216758375541
Energy: 1.4365870954478708
Energy: 1.4145914358079619
Energy: 1.4456135167781623
Energy: 1.4145914358072476
Energy: 1.4456135167774478
Energy: 1.414591435806533
Energy: 1.4456135167774478
Energy: 1.1659524791374576
Energy: 0.956585665323573
Energy: 1.1659524791381717
Energy: 0.9565856653228588
Energy: 1.1659524791381717
Energy: 0.9565856653228588
Energy: 1.2356163082079137
Energy: 1.0018517832215523
Energy: 1.235616308208628
Energy: 1.0018517832222669
Energy: 1.2356163082079137
Energy: 1.0018517832222669
Energy: 1.294228989669049
Energy: 1.6290391845234014
Energy: 1.2942289896697632
Energy: 1.6290391845241157
Energy: 1.2942289896704777
Energy: 1.6290391845234014
Energy: 1.5230268626261458
Energy: 1.167961119983545
Energy: 1.5230268626254315
Energy: 1.167961119983545
Energy: 1.5230268626254315
Energy: 1.167961119983545
Energy: 1.0304553199641033
Energy: 1.209440672518758
Energy: 1.0304553199641033
Energy: 1.209440672518758
Energy: 1.030455319963389
Energy: 1.2094406725194722
Energy: 1.0863557455087498
Energy: 1.170135832543258
Energy: 1.0863557455058925
Energy: 1.170135832542544
Energy: 1.0863557455066069
Energy: 1.170135832543258
Energy: 1.5029779929749145
Energy: 1.4485398684631818
Energy: 1.5029779929749145
Energy: 1.4485398684624677
Energy: 1.5029779929763432
Energy: 1.4485398684631818
Energy: 1.3901029542417571
Energy: 0.9895476690827244
Energy: 1.3901029542424714
Energy: 0.9895476690827244
Energy: 1.3901029542410426
Energy: 0.9895476690827244
Energy: 1.165464519238231
Energy: 1.0947722713781303
Energy: 1.1654645192396595
Energy: 1.0947722713781303
Energy: 1.1654645192396595
Energy: 1.0947722713774162
Energy: 0.9424359167052091
Energy: 1.073467120574845
Energy: 0.9424359167059234
Energy: 1.0734671205741306
Energy: 0.9424359167052091
Energy: 1.0734671205741306
Energy: 1.245881601527892
Energy: 1.3668626902513812
Energy: 1.2458816015314633
Energy: 1.3668626902499523
Energy: 1.2458816015293206
Energy: 1.3668626902535241
Energy: 1.221955233391574
Energy: 1.1062227475536868
Energy: 1.221955233391574
Energy: 1.106222747554401
Energy: 1.221955233391574
Energy: 1.1062227475529725
Energy: 1.2022774569238832
Energy: 1.0599404447914698
Energy: 1.2022774569245973
Energy: 1.0599404447914698
Energy: 1.2022774569245973
Energy: 1.0599404447928984
Energy: 0.942499821481637
Energy: 1.4328884394979744
Energy: 0.942499821481637
Energy: 1.43288843949726
Energy: 0.9424998214802084
Energy: 1.4328884394979744
Energy: 1.6902064989467624
Energy: 1.4496322779058595
Energy: 1.6902064989467624
Energy: 1.4496322779058595
Energy: 1.6902064989467624
Energy: 1.4496322779058595

minimum gb energy = 0.9155576365172703 eV
minimum distance =  2.31110259947824 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.263091225888902
Energy: 1.0762056065294003
Energy: 1.263091225888902
Energy: 1.0762056065288375
Energy: 1.263091225889465
Energy: 1.0762056065288375
Energy: 1.3370345519951785
Energy: 1.375460072049502
Energy: 1.3370345519946154
Energy: 1.3754600720500652
Energy: 1.3370345519946154
Energy: 1.375460072049502
Energy: 1.2110729789432566
Energy: 1.8785425037299184
Energy: 1.2110729789432566
Energy: 1.8785425037299184
Energy: 1.2110729789432566
Energy: 1.8785425037304815
Energy: 1.2336746505079934
Energy: 1.0612750370180917
Energy: 1.2336746505068674
Energy: 1.0612750370186548
Energy: 1.2336746505079934
Energy: 1.0612750370186548
Energy: 1.0264637605778024
Energy: 1.1202370993563353
Energy: 1.0264637605772395
Energy: 1.1202370993557724
Energy: 1.0264637605783655
Energy: 1.1202370993563353
Energy: 1.3046023165015619
Energy: 1.2790054056161853
Energy: 1.3046023165015619
Energy: 1.2790054056161853
Energy: 1.3046023165015619
Energy: 1.2790054056161853
Energy: 1.0511199277606857
Energy: 1.4727184424423265
Energy: 1.0511199277612486
Energy: 1.4727184424423265
Energy: 1.0511199277612486
Energy: 1.4727184424423265
Energy: 1.0251238276129753
Energy: 1.0614828332131736
Energy: 1.0251238276124122
Energy: 1.0614828332131736
Energy: 1.0251238276129753
Energy: 1.0614828332126105
Energy: 1.036264620707488
Energy: 1.0926339204837268
Energy: 1.036264620708614
Energy: 1.0926339204837268
Energy: 1.036264620708051
Energy: 1.0926339204837268
Energy: 1.1244099444758868
Energy: 1.584147566859647
Energy: 1.1244099444758868
Energy: 1.584147566859647
Energy: 1.12440994447645
Energy: 1.584147566859647
Energy: 1.1242880204119132
Energy: 1.5848734973563698
Energy: 1.1242880204119132
Energy: 1.5848734973563698
Energy: 1.1242880204113501
Energy: 1.5848734973563698
Energy: 1.0179717769031342
Energy: 1.3761016183308068
Energy: 1.0179717769025716
Energy: 1.3761016183308068
Energy: 1.0179717769042602
Energy: 1.3761016183313697
Energy: 1.025122227236753
Energy: 1.059376440417358
Energy: 1.025122227237316
Energy: 1.05937644041961
Energy: 1.025122227236753
Energy: 1.059376440417921
Energy: 0.9866338286610272
Energy: 1.4663598742741253
Energy: 0.9866338286610272
Energy: 1.4663598742741253
Energy: 0.9866338286610272
Energy: 1.4663598742730504
Energy: 1.3029645781105172
Energy: 1.5454765378568207
Energy: 1.3029645781105172
Energy: 1.5454765378573836
Energy: 1.3029645781099544
Energy: 1.5454765378573836
Energy: 0.9867472912874994
Energy: 1.409111725151699
Energy: 0.9867472912858104
Energy: 1.409111725151699
Energy: 0.9867472912869363
Energy: 1.409111725151699
Energy: 1.0340429547313248
Energy: 1.0594845208128405
Energy: 1.034042954732451
Energy: 1.0594845208134038
Energy: 1.034042954732451
Energy: 1.0594845208128405
Energy: 1.3024210540462577
Energy: 1.5602917734567843
Energy: 1.3024210540451318
Energy: 1.560291773451154
Energy: 1.3024210540456946
Energy: 1.5602917734573472
Energy: 1.1525859564918888
Energy: 1.371571207091658
Energy: 1.1525859564930145
Energy: 1.371571207091658
Energy: 1.1525859564935779
Energy: 1.3715712070922208
Energy: 1.123832765687897
Energy: 1.3807551334424948
Energy: 1.123832765686771
Energy: 1.3807551334520658
Energy: 1.1238327656884601
Energy: 1.380755133441932
Energy: 1.034799674387363
Energy: 1.3642023366336897
Energy: 1.034799674388489
Energy: 1.3642023366336897
Energy: 1.0347996743879262
Energy: 1.3642023366336897
Energy: 1.2127067997766734
Energy: 1.724767231612153
Energy: 1.2127067997794883
Energy: 1.7247672316110265
Energy: 1.2127067997783623
Energy: 1.7247672316127158
Energy: 1.2356433736733583
Energy: 1.0609556175508983
Energy: 1.2356433736733583
Energy: 1.0609556175508983
Energy: 1.2356433736727952
Energy: 1.0609556175508983
Energy: 0.9854320729620379
Energy: 1.3317454498764336
Energy: 0.9854320729603491
Energy: 1.3317454498764336
Energy: 0.9854320729626008
Energy: 1.3842106131128271
Energy: 0.9859013989372791
Energy: 1.4613131380103466
Energy: 0.9859013989372791
Energy: 1.4613131380103466
Energy: 0.9859013989367161
Energy: 1.4613131380109092
Energy: 1.0498521060383108
Energy: 1.4633824469799475
Energy: 1.0498521060371848
Energy: 1.4633824469799475
Energy: 1.049852106037748
Energy: 1.4633824469805106
Energy: 1.0293221951753055
Energy: 1.06102711465521
Energy: 1.0293221951758686
Energy: 1.06102711465521
Energy: 1.0293221951753055
Energy: 1.0610271146546468
Energy: 1.0336633245763076
Energy: 1.2933293717017995
Energy: 1.0336633245746185
Energy: 1.2933293717012362
Energy: 1.0336633245768707
Energy: 1.2702072552962893
Energy: 1.1239230293028653
Energy: 1.3816487726072029
Energy: 1.1239230293073692
Energy: 1.3816487726072029
Energy: 1.1239230293045543
Energy: 1.381648772607766
Energy: 1.242965579780523
Energy: 1.411307002474189
Energy: 1.242965579782212
Energy: 1.411307002474189
Energy: 1.242965579781649
Energy: 1.411307002474189
Energy: 1.0117944089118025
Energy: 1.233568047674637
Energy: 1.0117944089112394
Energy: 1.2335680476740742
Energy: 1.0117944089123652
Energy: 1.233568047674637
Energy: 1.0528680422969219
Energy: 1.1028720540332488
Energy: 1.052868042295796
Energy: 1.1028720540326857
Energy: 1.0528680422969219
Energy: 1.1028720540326857
Energy: 0.9938377677219085
Energy: 1.2631953385230819
Energy: 0.9938377677230343
Energy: 1.263195338522519
Energy: 0.9938377677224713
Energy: 1.263195338521393

minimum gb energy = 0.9854320729603491 eV
minimum distance =  2.34512287300185 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.2189101429198643
Energy: 1.1394154879167702
Energy: 1.2189101429198643
Energy: 1.1394154879167702
Energy: 1.2189101429214448
Energy: 1.1394154879163392
Energy: 1.22824460694969
Energy: 1.032204537303961
Energy: 1.228244606952851
Energy: 1.032204537303961
Energy: 1.228244606949331
Energy: 1.0322045373028115
Energy: 1.1342534790090666
Energy: 1.267880947084054
Energy: 1.1342534790094259
Energy: 1.2678809470887953
Energy: 1.1342534790098568
Energy: 1.2678809470852035
Energy: 1.1199054310669225
Energy: 1.0811618472342823
Energy: 1.1199054310700833
Energy: 1.0811618472339228
Energy: 1.1199054310680718
Energy: 1.081161847234713
Energy: 1.1090505650136522
Energy: 1.1410258376054667
Energy: 1.109050565017244
Energy: 1.141025838237432
Energy: 1.109050565012862
Energy: 1.1410258377413858
Energy: 1.4543453552546355
Energy: 1.1107765254472965
Energy: 1.4543453552550665
Energy: 1.1107765254480868
Energy: 1.454345355256647
Energy: 1.1107765254476556
Energy: 1.0946563519991908
Energy: 1.2047072464961535
Energy: 1.0946563519991908
Energy: 1.2047072464961535
Energy: 1.094656351999981
Energy: 1.2047072464961535
Energy: 1.1654762137049373
Energy: 1.1603434424863355
Energy: 1.1654762137085293
Energy: 1.1603434424867667
Energy: 1.1654762137085293
Energy: 1.1603434424859764
Energy: 1.1163298839766127
Energy: 1.1265986215040962
Energy: 1.1163298839785525
Energy: 1.1265986215036652
Energy: 1.1163298839758224
Energy: 1.1265986215044554
Energy: 1.5314862020109312
Energy: 1.0814542093645256
Energy: 1.53148620200971
Energy: 1.0814542093645256
Energy: 1.5314862020117215
Energy: 1.0814542093641664
Energy: 1.1620930905280733
Energy: 1.1595825173219598
Energy: 1.1620930905320244
Energy: 1.1595825173216006
Energy: 1.1620930905292228
Energy: 1.1595825173219598
Energy: 1.7321177060161062
Energy: 1.0811341151386313
Energy: 1.7321177060161062
Energy: 1.081134115138272
Energy: 1.7321177060173274
Energy: 1.081134115138272
Energy: 1.1329004517087915
Energy: 1.11604510945901
Energy: 1.132900451707211
Energy: 1.116045109447516
Energy: 1.1329004517087915
Energy: 1.1160451094467256
Energy: 1.1608371565192803
Energy: 1.1706538176270311
Energy: 1.160837156518131
Energy: 1.1706538176270311
Energy: 1.160837156518131
Energy: 1.1706538176270311
Energy: 1.1678441987779078
Energy: 1.0924187521964674
Energy: 1.1678441987810688
Energy: 1.0924187521961082
Energy: 1.1678441987794883
Energy: 1.0924187521961082
Energy: 1.1157987382184174
Energy: 1.4501642863808895
Energy: 1.1157987382192076
Energy: 1.4501642863804582
Energy: 1.1157987382207881
Energy: 1.4501642863808895
Energy: 1.4160880824665076
Energy: 1.11840618827846
Energy: 1.4160880588049896
Energy: 1.11840618827846
Energy: 1.4160880559918574
Energy: 1.11840618827846
Energy: 1.075937994983612
Energy: 1.125458151967644
Energy: 1.0759379949844023
Energy: 1.125458151967644
Energy: 1.075937994983612
Energy: 1.1254581519680034
Energy: 1.271819469377502
Energy: 1.1332928258959039
Energy: 1.2718194693751312
Energy: 1.1332928258970534
Energy: 1.271819469377502
Energy: 1.1332928258962631
Energy: 1.3992120092657099
Energy: 1.128146534473594
Energy: 1.3992120092645604
Energy: 1.1281465344728037
Energy: 1.3992120092649196
Energy: 1.128146534473594
Energy: 1.070366138681909
Energy: 1.2182405899951334
Energy: 1.0703661386815497
Energy: 1.2182405899951334
Energy: 1.0703661386807595
Energy: 1.2182405899951334
Energy: 1.0418116735495504
Energy: 1.2292191285992073
Energy: 1.0418116735527112
Energy: 1.2292191285988483
Energy: 1.0418116735503407
Energy: 1.229219128598058
Energy: 1.168421790179772
Energy: 1.3890845073389966
Energy: 1.1684217901825737
Energy: 1.3890845073389966
Energy: 1.1684217901821428
Energy: 1.3890845073389966
Energy: 1.072416546832253
Energy: 1.1204302925840357
Energy: 1.0724165468346238
Energy: 1.1204302925828145
Energy: 1.072416546835414
Energy: 1.1204302925843947
Energy: 1.1442069551626106
Energy: 1.0717915572110859
Energy: 1.1442069551653404
Energy: 1.0717915571786865
Energy: 1.144206955152697
Energy: 1.0717915571739451
Energy: 1.1101091741574616
Energy: 1.449770135182664
Energy: 1.1101091741586109
Energy: 1.449770135182233
Energy: 1.1101091741598321
Energy: 1.449770135182233
Energy: 1.228774052843077
Energy: 1.0992006364173141
Energy: 1.2287740528427178
Energy: 1.0992006364165239
Energy: 1.228774052842287
Energy: 1.0992006364173141
Energy: 1.2016496622558925
Energy: 1.0705909942531904
Energy: 1.2016496622551023
Energy: 1.0705909942524001
Energy: 1.2016496622574728
Energy: 1.0705909942539806
Energy: 1.1267384895630876
Energy: 1.1173344483100762
Energy: 1.1267384895630876
Energy: 1.1173344483187688
Energy: 1.1267384895622974
Energy: 1.117334448319128
Energy: 1.0757983658344739
Energy: 1.526661025688942
Energy: 1.0757983658321033
Energy: 1.5266610256885826
Energy: 1.0757983658336836
Energy: 1.5266610256885826
Energy: 1.1197565721268965
Energy: 1.0693547587248537
Energy: 1.1197565721304885
Energy: 1.0693547587248537
Energy: 1.1197565721300575
Energy: 1.069354758725285
Energy: 1.0724067277470803
Energy: 1.7384551669058224
Energy: 1.0724067277494511
Energy: 1.7384551669058224
Energy: 1.0724067277470803
Energy: 1.7384551669058224
Energy: 1.399231080819529
Energy: 1.1403358058050228
Energy: 1.3992310808171582
Energy: 1.1403358058050228
Energy: 1.3992310808179484
Energy: 1.1403358058050228
Energy: 1.1643901058668809
Energy: 1.176177413065597
Energy: 1.16439010586724
Energy: 1.1761774130663873
Energy: 1.1643901058692516
Energy: 1.1761774130659564
Energy: 1.1643117469855233
Energy: 1.1757039050749056
Energy: 1.1643117469859545
Energy: 1.1757039050749056
Energy: 1.1643117469871038
Energy: 1.1757039050752647
Energy: 1.399023681565278
Energy: 1.1407864984201996
Energy: 1.3990236815633386
Energy: 1.1407864984206308
Energy: 1.3990236815641286
Energy: 1.1407864984206308
Energy: 1.0721578053349288
Energy: 1.7381689141954921
Energy: 1.0721578053349288
Energy: 1.7381689141958512
Energy: 1.0721578053353595
Energy: 1.7381689141958512
Energy: 1.1195231721783527
Energy: 1.0694293038103013
Energy: 1.119523172179143
Energy: 1.0694293038106604
Energy: 1.1195231721787122
Energy: 1.0694293038106604
Energy: 1.07577130170735
Energy: 1.5264925248196095
Energy: 1.0757713017097206
Energy: 1.5264925248203998
Energy: 1.0757713017089305
Energy: 1.5264925248203998
Energy: 1.1264404992417432
Energy: 1.1192832059862765
Energy: 1.1264404992425334
Energy: 1.1192832060360607
Energy: 1.1264404992413122
Energy: 1.1192832060191067
Energy: 1.2012237680800353
Energy: 1.0874187457874953
Energy: 1.2012237680811846
Energy: 1.0874187457886446
Energy: 1.2012237680803943
Energy: 1.0874187457882856
Energy: 1.229156527592694
Energy: 1.09909547807265
Energy: 1.2291565275946335
Energy: 1.0990954780722908
Energy: 1.2291565275911136
Energy: 1.0990954780722908
Energy: 1.1101774789855836
Energy: 1.450676823502533
Energy: 1.1101774789879544
Energy: 1.450676823502964
Energy: 1.1101774789879544
Energy: 1.450676823502964
Energy: 1.1433016541053265
Energy: 1.119403120680542
Energy: 1.143301654103387
Energy: 1.1194031206797517
Energy: 1.1433016541053265
Energy: 1.1194031206797517
Energy: 1.0723990965210113
Energy: 1.120311071919013
Energy: 1.072399096520293
Energy: 1.1203110719158522
Energy: 1.072399096523382
Energy: 1.1203110719126914
Energy: 1.168629618442841
Energy: 1.3888698459917923
Energy: 1.1686296184432723
Energy: 1.3888698459922233
Energy: 1.168629618446002
Energy: 1.3888698459917923
Energy: 1.0421402465635277
Energy: 1.2293639374778538
Energy: 1.042140246564318
Energy: 1.2293639374782845
Energy: 1.0421402465655394
Energy: 1.229363937478644

minimum gb energy = 1.0322045373028115 eV
minimum distance =  2.32909492840988 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.2372488489069111
Energy: 1.1460111362108174
Energy: 1.2372488489069111
Energy: 1.1460111362108174
Energy: 1.2372488489069111
Energy: 1.1460111362108174
Energy: 1.2058302409794803
Energy: 1.1178380974826978
Energy: 1.2058302409794803
Energy: 1.1178380974826978
Energy: 1.2058302409794803
Energy: 1.1178380974826978
Energy: 1.322824055985059
Energy: 1.3670732238294934
Energy: 1.322824055985059
Energy: 1.3670732238294934
Energy: 1.5987009051699743
Energy: 1.3670732238294934
Energy: 1.206200007239823
Energy: 1.1192669537323372
Energy: 1.206200007239823
Energy: 1.1192669537323372
Energy: 1.206200007239823
Energy: 1.1192669537296966
Energy: 1.237248848909552
Energy: 1.1460111362108174
Energy: 1.237248848909552
Energy: 1.1460111362108174
Energy: 1.237248848909552
Energy: 1.1460111362108174
Energy: 1.205830240974199
Energy: 1.1178380974853384
Energy: 1.2058302409768396
Energy: 1.1178380974853384
Energy: 1.205830240974199
Energy: 1.1178380974853384
Energy: 1.503316382372232
Energy: 1.3670732238321341
Energy: 1.503316382372232
Energy: 1.3670732238294934
Energy: 1.503316382372232
Energy: 1.3670732238321341

minimum gb energy = 1.1178380974826978 eV
minimum distance =  2.33927883980504 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.6611070092142384
Energy: 1.3473742636499075
Energy: 1.6139653973836512
Energy: 1.3473742636319401
Energy: 1.661107009232206
Energy: 1.3473742636319401
Energy: 1.3769646167612404
Energy: 1.2749077414212953
Energy: 1.3769646167612404
Energy: 1.2749077414069212
Energy: 1.3769646167540535
Energy: 1.2749077414069212
Energy: 1.3900326667493457
Energy: 1.4228802668342695
Energy: 1.3923993389419138
Energy: 1.42288026684505
Energy: 1.3900326667421588
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Energy: 1.4105584387368566
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Energy: 1.4505015012139941
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Energy: 1.3799476299382258
Energy: 1.4482915406087673
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Energy: 1.448291541046977
Energy: 1.3799476299310387
Energy: 1.3083293209276345
Energy: 1.637101650718215
Energy: 1.3083176440418356
Energy: 1.6371016507146212
Energy: 1.3083293209276345
Energy: 1.6371016507146212
Energy: 1.59024976222035
Energy: 1.2637662115722856
Energy: 1.590249762213163
Energy: 1.2637662115722856
Energy: 1.5902497622095697
Energy: 1.263766211568692
Energy: 1.3334546529631752
Energy: 1.4447359918045435
Energy: 1.3334546529703624
Energy: 1.4447359917973566
Energy: 1.3334546529847362
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Energy: 1.4217412892183603
Energy: 1.2777044674624964
Energy: 1.4217412892111734
Energy: 1.277704467473277
Energy: 1.4217412892147667
Energy: 1.277704467473277
Energy: 1.3748424726782251
Energy: 1.3553640542563814
Energy: 1.3748424726746318
Energy: 1.355364054245601
Energy: 1.3748424726638513
Energy: 1.355364054245601
Energy: 1.480474474897792
Energy: 1.2851371324367207
Energy: 1.4804744749049792
Energy: 1.2851371324403142
Energy: 1.4804744748941987
Energy: 1.2851371324403142
Energy: 1.4282015110313957
Energy: 1.3356339351200848
Energy: 1.428201661826221
Energy: 1.335633935109304
Energy: 1.4282015110349893
Energy: 1.335633935109304
Energy: 1.3694868028616214
Energy: 1.3413609823921933
Energy: 1.3694868028544345
Energy: 1.3413609823778194
Energy: 1.3694868028544345
Energy: 1.3413609823778194
Energy: 1.3080186095812816
Energy: 1.4892115938588537
Energy: 1.3080186095740944
Energy: 1.4892115938516666
Energy: 1.3080186095776882
Energy: 1.4892115938480732
Energy: 1.3884813043684132
Energy: 1.3875271560390665
Energy: 1.3884813043612263
Energy: 1.3875271560318796
Energy: 1.388481304336072
Energy: 1.3875271560318796
Energy: 1.3630916344376218
Energy: 1.3766002569642213
Energy: 1.3634301947295282
Energy: 1.3766002569534408
Energy: 1.3630916344412154
Energy: 1.3766002569534408

minimum gb energy = 1.226907661574571 eV
minimum distance =  2.29711373357947 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.4778546271980004
Energy: 1.4213122382629184
Energy: 1.4365641935519924
Energy: 1.4213122382698231
Energy: 1.4778546271975075
Energy: 1.4213122382698231
Energy: 1.4301123335051913
Energy: 1.3469399263772561
Energy: 1.4301123335175214
Energy: 1.3463831014724768
Energy: 1.4301123335155488
Energy: 1.3469399263886
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Energy: 1.20561608572811
Energy: 1.4276166484583541
Energy: 1.2056160857251508
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Energy: 1.3806198126214657
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Energy: 1.3519013143289806
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Energy: 1.2758496758715472
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Energy: 1.274950818533022
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Energy: 1.4832129886678844
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Energy: 1.3465309543949116
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Energy: 1.4439832127693362
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Energy: 1.4119423009880099
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Energy: 1.3151899937971694
Energy: 1.420860079888981
Energy: 1.315189993808513
Energy: 1.420860079886515
Energy: 1.3151899938109788
Energy: 1.2064733748655878
Energy: 1.689330907748995
Energy: 1.2064733748709682
Energy: 1.689330907748502
Energy: 1.2064733748714613
Energy: 1.6893309077524474
Energy: 1.3669165588722454
Energy: 1.2933088377984139
Energy: 1.366916558866327
Energy: 1.2933088377944681
Energy: 1.3669165588722454
Energy: 1.2933088377944681
Energy: 1.4347568594089823
Energy: 1.3467428557474568
Energy: 1.4346357943577173
Energy: 1.2759380754447776
Energy: 1.434756859411897
Energy: 1.346742855748443
Energy: 1.4919743442744429
Energy: 1.4449475797296876
Energy: 1.4915937298801714
Energy: 1.444947579735113
Energy: 1.4919743442739497
Energy: 1.4449475797321536
Energy: 1.2054536140794707
Energy: 1.2798670959861904
Energy: 1.2054536140819367
Energy: 1.2795540041162665
Energy: 1.2054536140829233
Energy: 1.2798670959792857
Energy: 1.3789290329669694
Energy: 1.4228559910862697
Energy: 1.378929032968942
Energy: 1.4228559910892287
Energy: 1.3789290329699286
Energy: 1.4228559910956404
Energy: 1.3574872861966547
Energy: 1.4123855965692493
Energy: 1.3574872862006002
Energy: 1.4123855965648107
Energy: 1.3574872861991207
Energy: 1.412385596563331
Energy: 1.345282428504996
Energy: 1.3654739073245026
Energy: 1.3452772695034962
Energy: 1.3657376494641373
Energy: 1.3452824284956253
Energy: 1.3654739080842122
Energy: 1.3476760739398863
Energy: 1.2682984233552692
Energy: 1.3476767057172998
Energy: 1.2681103881262885
Energy: 1.3476760739428455
Energy: 1.26829842335083
Energy: 1.4525517720411854
Energy: 1.7449327646085324
Energy: 1.4504564164727787
Energy: 1.7449327646114914
Energy: 1.452551772043158
Energy: 1.7449327646114914
Energy: 1.4178771971315989
Energy: 1.30945782421709
Energy: 1.4178771971335715
Energy: 1.309457824194896
Energy: 1.4178771971311057
Energy: 1.3094578241978552
Energy: 1.4907505218922623
Energy: 1.2371100392239538
Energy: 1.4907505218971495
Energy: 1.2371100392239538
Energy: 1.4907505218942352
Energy: 1.2371100392249401
Energy: 1.389061439745129
Energy: 1.2751044399543936
Energy: 1.3890614397401972
Energy: 1.3459551402632401
Energy: 1.3890614397480885
Energy: 1.2751044399612983

minimum gb energy = 1.1808098423685434 eV
minimum distance =  2.34163947161695 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.5668744279271343
Energy: 1.2819968898160454
Energy: 1.5668744279271343
Energy: 1.2819968898160454
Energy: 1.5668744279271343
Energy: 1.2819968898160454
Energy: 1.3503685814881894
Energy: 1.2240274914251699
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Energy: 1.3434035262018202
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Energy: 1.3434035262006085
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Energy: 1.3434035262012145
Energy: 1.300260145756341
Energy: 1.3844994819038137
Energy: 1.3002601457569467
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Energy: 1.300260145756341
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Energy: 1.4202140989053813
Energy: 1.2242337084875303
Energy: 1.4202140989065928
Energy: 1.2242337084881358
Energy: 1.4202140989053813
Energy: 1.2242337084875303
Energy: 1.4934345818302677
Energy: 1.292989057252392
Energy: 1.4934345818302677
Energy: 1.2929890572566327
Energy: 1.4934345818314791
Energy: 1.292989057252998
Energy: 1.4474558622814124
Energy: 1.2577680946912086
Energy: 1.4474558622814124
Energy: 1.2577680946918144
Energy: 1.4474558622814124
Energy: 1.2577680946912086
Energy: 1.4204444615250513
Energy: 1.3764885801068028
Energy: 1.4204444615244454
Energy: 1.3764885801068028
Energy: 1.4204444615238394
Energy: 1.3764885801074085
Energy: 1.2996722561823308
Energy: 1.3267606403681687
Energy: 1.2996722561823308
Energy: 1.3267606403681687
Energy: 1.2996722561823308
Energy: 1.3267606403681687
Energy: 1.4856558612955024
Energy: 1.3477686950738996
Energy: 1.4856558612955024
Energy: 1.3477686950738996
Energy: 1.4856558612955024
Energy: 1.3477686950738996
Energy: 1.19519825887208
Energy: 1.4065479181078746
Energy: 1.195198258872686
Energy: 1.4065479181078746
Energy: 1.195198258872686
Energy: 1.4065479181084803
Energy: 1.4102821870272846
Energy: 1.5370168501879984
Energy: 1.4102821870272846
Energy: 1.5370168501879984
Energy: 1.4102821870272846
Energy: 1.5370168501879984
Energy: 1.2739671342489205
Energy: 1.2686510299914264
Energy: 1.273967134247103
Energy: 1.2686510299914264
Energy: 1.273967134246497
Energy: 1.2686510299908207
Energy: 1.5054677192312247
Energy: 1.3329694320698207
Energy: 1.5054677192312247
Energy: 1.3329694320698207
Energy: 1.5054677192312247
Energy: 1.3329694320698207
Energy: 1.2657423142857065
Energy: 1.4223475600982542
Energy: 1.2657423142857065
Energy: 1.4223475600982542
Energy: 1.2657423142857065
Energy: 1.4223475600976487
Energy: 1.4567590536185941
Energy: 1.3161425663841524
Energy: 1.4567590536191999
Energy: 1.3161425663841524
Energy: 1.4567590536191999
Energy: 1.3161425663835464
Energy: 1.274147827950773
Energy: 1.4042267076528017
Energy: 1.274147827950773
Energy: 1.4042267076521957
Energy: 1.2741478279513787
Energy: 1.4042267076521957
Energy: 1.3540506099534326
Energy: 1.359381625491549
Energy: 1.3540506099534326
Energy: 1.359381625491549
Energy: 1.3540506099534326
Energy: 1.359381625492155
Energy: 1.384900255097091
Energy: 1.334520057315012
Energy: 1.384900255097091
Energy: 1.334520057314406
Energy: 1.384900255097091
Energy: 1.334520057315012

minimum gb energy = 1.1948637754018423 eV
minimum distance =  2.33186349159578 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.390659482615686
Energy: 1.1875508063874711
Energy: 1.390659482615686
Energy: 1.1875508063874711
Energy: 1.3906594826149017
Energy: 1.1875508063874711
Energy: 1.2812317302488663
Energy: 1.1373417816063818
Energy: 1.281231730248082
Energy: 1.1373417816079505
Energy: 1.281231730248082
Energy: 1.1373417816071658
Energy: 1.3263901095049873
Energy: 1.4460360482715178
Energy: 1.3263901095065558
Energy: 1.4460360482715178
Energy: 1.3263901095089092
Energy: 1.4460360482723023
Energy: 1.6573097732990654
Energy: 1.3217016526610383
Energy: 1.6573097733014188
Energy: 1.3217016526602894
Energy: 1.6573097733014188
Energy: 1.321701652657152
Energy: 1.3251643491973353
Energy: 1.3208858105517485
Energy: 1.3251643491973353
Energy: 1.3208858105486108
Energy: 1.3251643491949823
Energy: 1.320885810550964
Energy: 1.330514544213345
Energy: 1.1374894168042222
Energy: 1.3305145442094586
Energy: 1.1374894168042222
Energy: 1.3305145442141295
Energy: 1.1374894168050067
Energy: 1.3402215049509936
Energy: 1.4006604263027733
Energy: 1.3402215049541313
Energy: 1.4006604263027733
Energy: 1.3402215049525625
Energy: 1.4006604263027733
Energy: 1.3913483750334912
Energy: 1.189289771217073
Energy: 1.391348375037413
Energy: 1.189289771217073
Energy: 1.3913483750342752
Energy: 1.189289771217073
Energy: 1.2913321076810982
Energy: 1.1375401794038993
Energy: 1.2913321076818824
Energy: 1.1375401794054683
Energy: 1.2913321076795294
Energy: 1.1375401794062525
Energy: 1.1244764283296613
Energy: 1.2996882370746776
Energy: 1.1244764283304456
Energy: 1.2996882370754623
Energy: 1.1244764283304456
Energy: 1.2996882370746776
Energy: 1.3440394730709864
Energy: 1.3244015307482826
Energy: 1.3440394730694176
Energy: 1.3244015307482826
Energy: 1.3440394730709864
Energy: 1.3244015307482826
Energy: 1.2940322843219154
Energy: 1.3877079713006344
Energy: 1.294032284318778
Energy: 1.3877079713014189
Energy: 1.294032284317209
Energy: 1.3877079713006344
Energy: 1.3271837448575383
Energy: 1.1368725753247086
Energy: 1.3271837448567538
Energy: 1.136872575325493
Energy: 1.3271837448567538
Energy: 1.1368725753270617
Energy: 1.4419783071771988
Energy: 1.1485758319480464
Energy: 1.4419783071771988
Energy: 1.1485758319480464
Energy: 1.4419783071771988
Energy: 1.1485758319488306
Energy: 1.2855273998134922
Energy: 1.1424017060124676
Energy: 1.2855273998150611
Energy: 1.1424017060108989
Energy: 1.2855273998119234
Energy: 1.1424017060132519
Energy: 1.2805301951137051
Energy: 1.2558352203042695
Energy: 1.2805301951144892
Energy: 1.255835220302701
Energy: 1.2805301951160581
Energy: 1.255835220303485
Energy: 1.1220777331089167
Energy: 1.296213287939069
Energy: 1.1220777331104854
Energy: 1.296213287939069
Energy: 1.1220777331097012
Energy: 1.2962132879382846
Energy: 1.3321520107830658
Energy: 1.1253270536439217
Energy: 1.3321520107822815
Energy: 1.125327053642353
Energy: 1.3321520107830658
Energy: 1.1253270536439217
Energy: 1.121877884013155
Energy: 1.2934242204719792
Energy: 1.1218778840147239
Energy: 1.2934242204727633
Energy: 1.1218778840139394
Energy: 1.2934242204711948
Energy: 1.2804480939202523
Energy: 1.255864104763104
Energy: 1.2804480939210368
Energy: 1.2558641047638885
Energy: 1.2804480939186837
Energy: 1.255864104763104
Energy: 1.285382670084911
Energy: 1.1885260497112868
Energy: 1.285382670084911
Energy: 1.1885260497120713
Energy: 1.2853826700794202
Energy: 1.1885260497112868
Energy: 1.4419774422086356
Energy: 1.3307119416632256
Energy: 1.4419774422086356
Energy: 1.3307119416632256
Energy: 1.4419774422086356
Energy: 1.3307119416624411
Energy: 1.3272399989025883
Energy: 1.1377236792188163
Energy: 1.3272399989018038
Energy: 1.137723679218032
Energy: 1.3272399989033725
Energy: 1.137723679218032
Energy: 1.2932380100219358
Energy: 1.3878761389316492
Energy: 1.2932380100219358
Energy: 1.3878761389324334
Energy: 1.2932380100250735
Energy: 1.3878761389300804

minimum gb energy = 1.121877884013155 eV
minimum distance =  2.34869191236278 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.3242681366128846
Energy: 1.1665757358000926
Energy: 1.3242681366128846
Energy: 1.1665757357989837
Energy: 1.3242681366128846
Energy: 1.1665757358000926
Energy: 1.1585990821265801
Energy: 1.1022662002823913
Energy: 1.1585990821254708
Energy: 1.1022662002823913
Energy: 1.1585990821254708
Energy: 1.1022662002823913
Energy: 1.2720755830648662
Energy: 1.3160092548302968
Energy: 1.2720755830648662
Energy: 1.3160092548291875
Energy: 1.272075583063757
Energy: 1.3160092548302968
Energy: 1.1798168473652773
Energy: 1.2871869736571546
Energy: 1.1798168473630586
Energy: 1.2871869736571546
Energy: 1.179816847367496
Energy: 1.2871869736560453
Energy: 1.282205296989465
Energy: 1.2186392127583139
Energy: 1.282205296989465
Energy: 1.2186392127594232
Energy: 1.2822052969905746
Energy: 1.2186392127549859
Energy: 1.168748022496653
Energy: 1.2767018353521018
Energy: 1.1687480224955438
Energy: 1.2767018353521018
Energy: 1.168748022496653
Energy: 1.2767018353521018
Energy: 1.2726429185437567
Energy: 1.1077567499354009
Energy: 1.2726429185426473
Energy: 1.1077567499331822
Energy: 1.2726429185426473
Energy: 1.1077567499354009
Energy: 1.1794673027829963
Energy: 1.3229780775897546
Energy: 1.1794673027774496
Energy: 1.3229780775897546
Energy: 1.1794673027741218
Energy: 1.3229780775842084
Energy: 1.2390114550754987
Energy: 1.1023008728436188
Energy: 1.2390114550754987
Energy: 1.1023008728436188
Energy: 1.2390114550754987
Energy: 1.1023008728436188
Energy: 1.1958045049974426
Energy: 1.1178698753932892
Energy: 1.195804504998552
Energy: 1.1178698753955079
Energy: 1.195804504998552
Energy: 1.1178698753932892
Energy: 1.1731934812782046
Energy: 1.2675337365915123
Energy: 1.1731934812782046
Energy: 1.2675337365915123
Energy: 1.1731934812782046
Energy: 1.2675337365915123
Energy: 1.2747896267058985
Energy: 1.2497769102217118
Energy: 1.2747896267103356
Energy: 1.2497769102239304
Energy: 1.2747896267058985
Energy: 1.2497769102250396
Energy: 1.0389460891695794
Energy: 1.2749242430667556
Energy: 1.0389460891717979
Energy: 1.2749242430667556
Energy: 1.0389460891706888
Energy: 1.2749242430656462
Energy: 1.194568427931628
Energy: 1.2497676507988598
Energy: 1.194568427931628
Energy: 1.2497676507988598
Energy: 1.194568427931628
Energy: 1.2497676507988598
Energy: 1.1673742974710262
Energy: 1.4194566964180004
Energy: 1.1673742974699168
Energy: 1.4194566964180004
Energy: 1.1673742974688075
Energy: 1.4194566964180004
Energy: 1.1683579945019786
Energy: 1.2758570443278214
Energy: 1.168357994503088
Energy: 1.2758570443278214
Energy: 1.1683579945019786
Energy: 1.2758570443289308
Energy: 1.1920489002394314
Energy: 1.2494317545703093
Energy: 1.1920489002394314
Energy: 1.2494317545703093
Energy: 1.1920489002383223
Energy: 1.2494317545714186

minimum gb energy = 1.0389460891695794 eV
minimum distance =  2.30917438155828 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.1944810148467913
Energy: 1.0559208008111425
Energy: 1.194481014845506
Energy: 1.055920800811571
Energy: 1.1944810148463632
Energy: 1.0559208008111425
Energy: 1.093427088335172
Energy: 1.0297808356764169
Energy: 1.093427088332173
Energy: 1.0297808356789873
Energy: 1.093427088334315
Energy: 1.0297808356772735
Energy: 1.1905824430695973
Energy: 1.119087537392341
Energy: 1.190582443069169
Energy: 1.1190875373927693
Energy: 1.1905824430704541
Energy: 1.119087537392341
Energy: 1.102020112828258
Energy: 1.1069294243193042
Energy: 1.1020201128299718
Energy: 1.1069294243201608
Energy: 1.102020112822261
Energy: 1.1069294243184475
Energy: 1.2114525969903667
Energy: 1.0165217829036381
Energy: 1.2114525969903667
Energy: 1.0165217829053514
Energy: 1.211452596990795
Energy: 1.01652178290578
Energy: 1.1184877373203
Energy: 1.0310548785477895
Energy: 1.1184877373190147
Energy: 1.0310548785482179
Energy: 1.1184877373211566
Energy: 1.0310548785477895
Energy: 1.0716509592279966
Energy: 1.0555587914312135
Energy: 1.0716509592357073
Energy: 1.0555587914312135
Energy: 1.0716509592348504
Energy: 1.0555587914307851
Energy: 1.1809709655206753
Energy: 1.3414323114502023
Energy: 1.1809709655211036
Energy: 1.3414323114519155
Energy: 1.1809709655223888
Energy: 1.3414323114519155
Energy: 1.096605204530513
Energy: 1.131582360917379
Energy: 1.0966052045292278
Energy: 1.131582360918236
Energy: 1.0966052045279426
Energy: 1.131582360918236
Energy: 1.0718868445383893
Energy: 0.9614433749122584
Energy: 1.0718868445383893
Energy: 0.9614433749131153
Energy: 1.0718868445383893
Energy: 0.9614433749126868
Energy: 0.9827944193015028
Energy: 1.180838849216313
Energy: 0.9827944193002176
Energy: 1.1808388355102348
Energy: 0.9827944193023593
Energy: 1.180838832581026
Energy: 1.1901064967337982
Energy: 1.0418043759442206
Energy: 1.1901064967312278
Energy: 1.0418043759437923
Energy: 1.1901064967320845
Energy: 1.0418043759437923
Energy: 1.0943914738935288
Energy: 1.0453780160605386
Energy: 1.094391473892672
Energy: 1.0453780160605386
Energy: 1.0943914738935288
Energy: 1.0453780160609667
Energy: 1.0908030537003246
Energy: 1.1762401943696015
Energy: 1.0908030537007531
Energy: 1.1762401943700298
Energy: 1.0908030537003246
Energy: 1.1762401943696015
Energy: 1.1713601003235101
Energy: 1.1632241254513203
Energy: 1.1713601003230818
Energy: 1.163224125452177
Energy: 1.1713601003205114
Energy: 1.163224125450931
Energy: 0.9887948811257233
Energy: 1.3442907382367875
Energy: 0.9887948811278653
Energy: 1.3442907382427849
Energy: 0.9887948811265802
Energy: 1.3442907382427849
Energy: 1.0911526992283773
Energy: 1.1066940179514058
Energy: 1.0911526992279488
Energy: 1.1066940179514058
Energy: 1.0911526992275207
Energy: 1.1066940179509777
Energy: 1.1264516140174767
Energy: 1.3324102304578984
Energy: 1.1264516140123364
Energy: 1.3324102304574699
Energy: 1.1264516140123364
Energy: 1.3324102304596117
Energy: 1.0824240953122457
Energy: 1.2423978997469298
Energy: 1.082424095316958
Energy: 1.2423978997452552
Energy: 1.0824240953161013
Energy: 1.2423978997465013
Energy: 1.0904501892544152
Energy: 1.0368507698885054
Energy: 1.0904501892535583
Energy: 1.0368507698872202
Energy: 1.0904501892548433
Energy: 1.0841199808732096
Energy: 1.082223354354413
Energy: 1.2424031128251152
Energy: 1.082223354355698
Energy: 1.2424031128259718
Energy: 1.0822233543548414
Energy: 1.2424031128259718
Energy: 1.126046096501408
Energy: 1.333840095443745
Energy: 1.1260460964992662
Energy: 1.333840095444602
Energy: 1.1260460964984091
Energy: 1.333840095443745
Energy: 1.0913539577464149
Energy: 1.1070538947800093
Energy: 1.0913539577464149
Energy: 1.1070538947804376
Energy: 1.0913539577468434
Energy: 1.1070538947800093
Energy: 0.9874644756768687
Energy: 1.3279773657011387
Energy: 0.9874644756751553
Energy: 1.3279773657011387
Energy: 0.9874644756768687
Energy: 1.3279773657011387
Energy: 1.1713520949573109
Energy: 1.163215097791264
Energy: 1.1713520949611664
Energy: 1.163215097789979
Energy: 1.1713520949624514
Energy: 1.1632150977908358
Energy: 1.0916587375920928
Energy: 1.176410823883862
Energy: 1.0916587375925213
Energy: 1.176410823883862
Energy: 1.0916587375925213
Energy: 1.176410823883005
Energy: 1.0944914354893005
Energy: 1.0448920936152528
Energy: 1.0944914354884439
Energy: 1.0448920936135395
Energy: 1.0944914354893005
Energy: 1.0448920936148243
Energy: 1.189999476219669
Energy: 1.0421441099474436
Energy: 1.1899994762200976
Energy: 1.0421441099474436
Energy: 1.1899994762200976
Energy: 1.042144109947872
Energy: 0.9828455958345478
Energy: 1.1818892775123577
Energy: 0.9828455958379749
Energy: 1.1818892729325532
Energy: 0.982845595837118
Energy: 1.1818892705531405
Energy: 1.0721718852190596
Energy: 1.1721472658843204
Energy: 1.0721718852177744
Energy: 1.1721472658834635
Energy: 1.0721718852177744
Energy: 1.1721472658821785
Energy: 1.0963880399388706
Energy: 1.1318673282355025
Energy: 1.096388039938442
Energy: 1.1318673282389295
Energy: 1.0963880399388706
Energy: 1.1318673282359308
Energy: 1.18162117060579
Energy: 1.3504707701341818
Energy: 1.1816211706075033
Energy: 1.3504707701350385
Energy: 1.1816211706075033
Energy: 1.3504707701346101
Energy: 1.0739566764184731
Energy: 1.0550553601698418
Energy: 1.0739566764141892
Energy: 1.0550553601668429
Energy: 1.0739566764150459
Energy: 1.0550553601659862
Energy: 1.1181261733824104
Energy: 1.0319326820418864
Energy: 1.1181261733815537
Energy: 1.031932682042743
Energy: 1.118126173382839
Energy: 1.031932682042743
Energy: 1.2122323081890143
Energy: 1.0150310360029926
Energy: 1.2122323081881576
Energy: 1.0150310359798604
Energy: 1.2122323081885857
Energy: 1.0150310359909982
Energy: 1.1061649318612166
Energy: 1.1066975452536334
Energy: 1.1061649318577895
Energy: 1.1066975452519199
Energy: 1.1061649318595033
Energy: 1.1066975452532049
Energy: 1.1905318336117487
Energy: 1.1190730027740206
Energy: 1.1905318336113204
Energy: 1.1190730027740206
Energy: 1.1905318336113204
Energy: 1.1190730027740206
Energy: 1.093501198667949
Energy: 1.029683991070659
Energy: 1.0935011986692342
Energy: 1.029683991070659
Energy: 1.0935011986670924
Energy: 1.0296839910702305
Energy: 1.1944810148472198
Energy: 1.0559208008128562
Energy: 1.1944810148446494
Energy: 1.0559208008128562
Energy: 1.1944810148459346
Energy: 1.0559208008128562
Energy: 1.0934270883266044
Energy: 1.0297808356764169
Energy: 1.0934270883240342
Energy: 1.0297808356755602
Energy: 1.0934270883291748
Energy: 1.0297808356751317
Energy: 1.1905824430640286
Energy: 1.1190875373949114
Energy: 1.1905824430648853
Energy: 1.1190875373953397
Energy: 1.1905824430640286
Energy: 1.1190875373953397
Energy: 1.1020201128214042
Energy: 1.1069294243163055
Energy: 1.102020112820976
Energy: 1.1069294243167338
Energy: 1.1020201128218325
Energy: 1.1069294243150205
Energy: 1.2114525969912235
Energy: 1.0165217829066366
Energy: 1.211452596990795
Energy: 1.0165217829070652
Energy: 1.211452596990795
Energy: 1.0165217829066366

minimum gb energy = 0.9614433749122584 eV
minimum distance =  2.33445833667585 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.0988984948130864
Energy: 0.9816436987401786
Energy: 1.0988984948144815
Energy: 0.9816436987408762
Energy: 1.098898494815179
Energy: 0.9816436987408762
Energy: 1.1145541243795138
Energy: 1.105568368422261
Energy: 1.1145541243795138
Energy: 1.1055683684215636
Energy: 1.1145541243802113
Energy: 1.105568368422261
Energy: 1.1131081927223325
Energy: 1.1046321260725713
Energy: 1.11310819272303
Energy: 1.1046321260732688
Energy: 1.1131081927244248
Energy: 1.1046321260732688
Energy: 1.0326195692430105
Energy: 1.0714108832181133
Energy: 1.0326195692485902
Energy: 1.0714108832181133
Energy: 1.0326195692625402
Energy: 1.0714108832187474
Energy: 1.109933569947969
Energy: 0.9524455863971808
Energy: 1.109933569946574
Energy: 0.9524455864006683
Energy: 1.109933569946574
Energy: 0.9524455863999708
Energy: 1.0640178698389857
Energy: 0.9640248424160096
Energy: 1.0640178698403808
Energy: 0.9640248424160096
Energy: 1.0640178698389857
Energy: 0.9640248424153122
Energy: 1.2179970089385737
Energy: 1.026204769647054
Energy: 1.2179970089385737
Energy: 1.026204769647054
Energy: 1.2179970089371785
Energy: 1.026204769647054
Energy: 1.2328280339034012
Energy: 1.2532823234565154
Energy: 1.2328280339034012
Energy: 1.2532823234565154
Energy: 1.2328280339027038
Energy: 1.2532823234565154
Energy: 0.9689322844678038
Energy: 0.9662582353581745
Energy: 0.9689322844664088
Energy: 0.9662582353567795
Energy: 0.9689322844671063
Energy: 0.9662582353581745
Energy: 0.9900390739477529
Energy: 0.9849026119719171
Energy: 0.9900390739512401
Energy: 0.9849026119726144
Energy: 0.9900390739519377
Energy: 0.9849026119726144
Energy: 1.2180303188347117
Energy: 1.2419415299600312
Energy: 1.2180303188375015
Energy: 1.2419415299600312
Energy: 1.218030318836804
Energy: 1.2419415299600312
Energy: 1.0135041079630975
Energy: 1.0219541733260056
Energy: 1.0135041079624
Energy: 1.0219541733260056
Energy: 1.0135041079624
Energy: 1.0219541733260056
Energy: 0.9863617275362839
Energy: 1.1005099436228942
Energy: 0.9863617275362839
Energy: 1.1005099436228942
Energy: 0.9863617275376789
Energy: 1.1005099436228942
Energy: 0.9853454555608759
Energy: 1.149471684593563
Energy: 0.9853454555594809
Energy: 1.149471684593563
Energy: 0.985345455558086
Energy: 1.149471684593563
Energy: 1.0995361881795171
Energy: 0.9777284291272682
Energy: 1.099536188180912
Energy: 0.9777284291321507
Energy: 1.0995361881816095
Energy: 0.9777284291328483
Energy: 1.1336464365887027
Energy: 1.1305118393130027
Energy: 1.1336464365880052
Energy: 1.1305118393123053
Energy: 1.1336464365894003
Energy: 1.1305118393130027
Energy: 1.1501164187553112
Energy: 1.1167169373117973
Energy: 1.1501164187567061
Energy: 1.1167169373124948
Energy: 1.1501164187567061
Energy: 1.1167169373117973
Energy: 1.1910832044198676
Energy: 1.0837518669800519
Energy: 1.1910832044198676
Energy: 1.0837518669793542
Energy: 1.1910832044191701
Energy: 1.0837518669793542
Energy: 1.1008570878578157
Energy: 1.1720972554122653
Energy: 1.1008570878592105
Energy: 1.172097255412963
Energy: 1.1008570878564206
Energy: 1.172097255412963
Energy: 0.9816200682273513
Energy: 1.0664746988825446
Energy: 0.9816200682266538
Energy: 1.0664746988825446
Energy: 0.9816200682280487
Energy: 1.0664746988825446
Energy: 1.0394094144641632
Energy: 1.2482700031965437
Energy: 1.0394094144662556
Energy: 1.2482700031972411
Energy: 1.0394094144655581
Energy: 1.2482700031958462
Energy: 0.9178961115520675
Energy: 1.176675021304108
Energy: 0.9178961115492777
Energy: 1.176675021304108
Energy: 0.9178961115499753
Energy: 1.1766750213027128
Energy: 1.0120162011756617
Energy: 1.0104460082310653
Energy: 1.012016201177754
Energy: 1.010446008230368
Energy: 1.0120162011770568
Energy: 1.010446008230368
Energy: 0.9975357413117683
Energy: 1.3872736657824147
Energy: 0.9975357413131632
Energy: 1.387273665781717
Energy: 0.9975357413131632
Energy: 1.3872736657810196
Energy: 1.0898380173090054
Energy: 1.261729335392932
Energy: 1.0898380173090054
Energy: 1.261729335392932
Energy: 1.0898380173097029
Energy: 1.261729335392932
Energy: 0.9827025790571987
Energy: 1.0098441026557945
Energy: 0.9827025790585937
Energy: 1.0098441026571896
Energy: 0.9827025790599887
Energy: 1.0098441026557945
Energy: 0.9142295388991764
Energy: 1.1719535358855537
Energy: 0.9142295389005713
Energy: 1.1719535358862512
Energy: 0.9142295388991764
Energy: 1.1719535358855537

minimum gb energy = 0.9142295388991764 eV
minimum distance =  2.29754001989843 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.2003236989995383
Energy: 0.8997670874026709
Energy: 1.2003236989995383
Energy: 0.8997670874021626
Energy: 1.2003236989995383
Energy: 0.8997670874021626
Energy: 0.9825696277192203
Energy: 1.0192305849496335
Energy: 0.9825696277176956
Energy: 1.0192305849491252
Energy: 0.9825696277176956
Energy: 1.0192305849496335
Energy: 0.984832366129999
Energy: 1.019018958173499
Energy: 0.984832366129999
Energy: 1.0190189581740072
Energy: 0.984832366129999
Energy: 1.0190189581740072
Energy: 1.141045555392309
Energy: 0.9369276905357717
Energy: 1.1410455553918006
Energy: 0.9369276905352636
Energy: 1.141045555392817
Energy: 0.9369276905357717
Energy: 0.9738952227365812
Energy: 0.9687032260588984
Energy: 0.9738952227350565
Energy: 0.9687032260594064
Energy: 0.9738952227365812
Energy: 0.9687032260588984
Energy: 0.9388079554106173
Energy: 0.8847935447751656
Energy: 0.9388079554106173
Energy: 0.8847935447756738
Energy: 0.9388079554106173
Energy: 0.8847935447751656
Energy: 1.0691487433839502
Energy: 0.9102280706936863
Energy: 1.0691487433859832
Energy: 0.9102280706972435
Energy: 1.0691487433844584
Energy: 0.9102280706952107
Energy: 1.1814959695169116
Energy: 1.0544551727058047
Energy: 1.1814959695169116
Energy: 1.0544551727052967
Energy: 1.1814959695179281
Energy: 1.0544551727058047
Energy: 0.8765005971568774
Energy: 0.8718774597958572
Energy: 0.8765005971573857
Energy: 0.87187745979789
Energy: 0.8765005971568774
Energy: 0.8718774597943326
Energy: 0.9834880147040267
Energy: 0.8632420565861341
Energy: 0.9834880147030103
Energy: 0.8632420565856257
Energy: 0.9834880147035184
Energy: 0.8632420565861341
Energy: 1.069025925860561
Energy: 1.0641004807269594
Energy: 1.0690259258610693
Energy: 1.0641004807269594
Energy: 1.0690259258615775
Energy: 1.0641004807269594
Energy: 0.8329655191028849
Energy: 0.9574840978916517
Energy: 0.8329655191023766
Energy: 0.9574840978921597
Energy: 0.8329655191018684
Energy: 0.9574840978921597
Energy: 0.9830702455984197
Energy: 0.8204517322028748
Energy: 0.983070245601977
Energy: 0.8204517322023667
Energy: 0.9830702455994361
Energy: 0.8204517322023667
Energy: 1.0795302938300093
Energy: 0.9568633173929758
Energy: 1.0795302938300093
Energy: 0.9568633173934841
Energy: 1.0795302938300093
Energy: 0.9568633173929758
Energy: 0.8628079045427184
Energy: 0.9585494058393274
Energy: 0.8628079045437348
Energy: 0.9585494058398355
Energy: 0.862807904541702
Energy: 0.9585494058403438
Energy: 1.0041906316697649
Energy: 0.9420171759777201
Energy: 1.0041906316697649
Energy: 0.9420171759777201
Energy: 1.0041906316702731
Energy: 0.9420171759782283
Energy: 1.0906704308515849
Energy: 1.0534354830855872
Energy: 1.0906704308510766
Energy: 1.0534354830850792
Energy: 1.0906704308526014
Energy: 1.0534354830850792
Energy: 0.8905743909559528
Energy: 0.9567658158404703
Energy: 0.8905743909549364
Energy: 0.9567658158409784
Energy: 0.8905743909559528
Energy: 0.9567658158404703
Energy: 0.9673573593407288
Energy: 0.9672705847545269
Energy: 0.967357359341237
Energy: 0.9672705847550351
Energy: 0.9673573593397122
Energy: 0.9672705847550351
Energy: 1.1194524903958993
Energy: 0.9556073814610303
Energy: 1.1194524903974241
Energy: 0.9556073814620467
Energy: 1.1194524903974241
Energy: 0.9556073814620467
Energy: 0.9649022580510458
Energy: 0.9127163915419462
Energy: 0.9649022580515542
Energy: 0.9127163915414381
Energy: 0.9649022580510458
Energy: 0.9127163915419462
Energy: 1.0314853605430385
Energy: 0.9912528403230007
Energy: 1.031485360542022
Energy: 0.9912528403230007
Energy: 1.0314853605430385
Energy: 0.9912528403230007
Energy: 1.028350863787226
Energy: 0.9720618397324223
Energy: 1.0283508637857017
Energy: 0.9720618397324223
Energy: 1.02835086378621
Energy: 0.9720618397324223
Energy: 1.0343450018776708
Energy: 1.0315669849398283
Energy: 1.0343450018776708
Energy: 1.0315669849398283
Energy: 1.0343450018781792
Energy: 1.0315669849408446
Energy: 0.9687139242859393
Energy: 0.8502407830456492
Energy: 0.968713924284923
Energy: 0.8502407830466656
Energy: 0.9687139242854311
Energy: 0.8502407830461576
Energy: 0.9679226122640058
Energy: 0.9343966669687789
Energy: 0.9679226122629894
Energy: 0.9343966669687789
Energy: 0.9679226122640058
Energy: 0.9343966669687789
Energy: 0.8898386704066885
Energy: 1.0968535069070704
Energy: 0.8898386704061803
Energy: 1.0968535069075789
Energy: 0.8898386704077049
Energy: 1.0968535069075789
Energy: 0.9330769025693864
Energy: 0.947729076433111
Energy: 0.9330769025709109
Energy: 0.9477290764336194
Energy: 0.9330769025693864
Energy: 0.947729076432603
Energy: 0.8623629441087455
Energy: 0.8812776451864538
Energy: 0.8623629441087455
Energy: 0.8812776451864538
Energy: 0.8623629441082373
Energy: 0.8812776451864538
Energy: 0.8567134900906398
Energy: 1.0689252378418728
Energy: 0.8567134900921645
Energy: 1.0689252378418728
Energy: 0.8567134900921645
Energy: 1.0689252378418728
Energy: 0.825880955273413
Energy: 1.1781228137810003
Energy: 0.8258809552739212
Energy: 1.1781228137815085
Energy: 0.8258809552739212
Energy: 1.1781228137810003
Energy: 0.86335120736054
Energy: 0.8460576912138591
Energy: 0.8633512073590154
Energy: 0.8460576912138591
Energy: 0.8633512073590154
Energy: 0.8460576912133508
Energy: 0.8278600868165963
Energy: 0.951133730819717
Energy: 0.8278600868140553
Energy: 0.9511337308166679
Energy: 0.8278600868160881
Energy: 0.9511337308202252
Energy: 1.079396783634576
Energy: 1.0735421684336273
Energy: 1.0793967836335596
Energy: 1.0735421684336273
Energy: 1.079396783634576
Energy: 1.0735421684336273
Energy: 0.8981719659884636
Energy: 0.8203349915109177
Energy: 0.8981719659869389
Energy: 0.820334991511426
Energy: 0.8981719659884636
Energy: 0.820334991511426
Energy: 0.7715071295011661
Energy: 0.9495457153868305
Energy: 0.7715071295011661
Energy: 0.9495457153873388
Energy: 0.7715071295006578
Energy: 0.9495457153868305

minimum gb energy = 0.7715071295006578 eV
minimum distance =  2.29293086740793 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.08263629458477487
Energy: 0.13616109001927304
Energy: 0.08263629458477487
Energy: 0.13616109001927304
Energy: 0.08263629458477487
Energy: 0.13616109001927304
Energy: 0.7827873256626577
Energy: 0.08375367798204482
Energy: 0.7827873256626577
Energy: 0.08375367798391205
Energy: 0.7827873256626577
Energy: 0.08375367798577928
Energy: 0.7827199734572132
Energy: 0.08321712859717166
Energy: 0.782719973455346
Energy: 0.0832171285860107
Energy: 0.782719973455346
Energy: 0.08321712858040901
Energy: 0.08263629458477487
Energy: 0.13616109001927304
Energy: 0.08263629458477487
Energy: 0.13616109001927304
Energy: 0.08263629458477487
Energy: 0.13616109001927304
Energy: 0.7827873256626577
Energy: 0.08375367798951373
Energy: 0.7827873256626577
Energy: 0.0837536779932482
Energy: 0.7827873256626577
Energy: 0.08375367799138098
Energy: 0.782719973455346
Energy: 0.0832171285916124
Energy: 0.782719973455346
Energy: 0.08321712860464056
Energy: 0.782719973455346
Energy: 0.08321712860464056
Energy: 0.08263629458477487
Energy: 0.13616109001927304
Energy: 0.08263629458477487
Energy: 0.13616109001927304
Energy: 0.08263629458477487
Energy: 0.13616109001927304
Energy: 0.7827873256626577
Energy: 0.08375367798204482
Energy: 0.7827873256626577
Energy: 0.08375367798391205
Energy: 0.7827873256626577
Energy: 0.08375367798391205
Energy: 0.7827199734572132
Energy: 0.08321712862331289
Energy: 0.782719973455346
Energy: 0.08321712862704735
Energy: 0.782719973455346
Energy: 0.08321712862518012
Energy: 0.08263629458477487
Energy: 0.13616109002114027
Energy: 0.08263629458477487
Energy: 0.13616109002114027
Energy: 0.08263629458477487
Energy: 0.13616109001927304

minimum gb energy = 0.08263629458477487 eV
minimum distance =  2.45823917132917 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.0325715341057429
Energy: 0.8642006557662578
Energy: 1.0325715341057429
Energy: 0.8642006557662578
Energy: 1.0325715341057429
Energy: 0.8642006557662578
Energy: 0.8621843903241938
Energy: 0.8730257189642083
Energy: 0.8621843903241938
Energy: 0.8730257189630907
Energy: 0.8621843903241938
Energy: 0.8730257189630907
Energy: 0.8907400138366528
Energy: 0.8693276823927633
Energy: 0.8907400138366528
Energy: 0.8693276823927633
Energy: 0.8907400138366528
Energy: 0.8693276823927633
Energy: 0.963639986446375
Energy: 0.9117402142037725
Energy: 0.9636399864469339
Energy: 0.9117402142037725
Energy: 0.963639986446375
Energy: 0.9117402142037725
Energy: 0.7420683314497728
Energy: 0.8843531985465855
Energy: 0.742068331449214
Energy: 0.8843531985471441
Energy: 0.7420683314486552
Energy: 0.8843531985465855
Energy: 0.8963446354122615
Energy: 0.8908655100605463
Energy: 0.8963446354133789
Energy: 0.8908655100605463
Energy: 0.8963446354128202
Energy: 0.8908655100611051
Energy: 0.9069257974298132
Energy: 0.9657076739096688
Energy: 0.9069257974309309
Energy: 0.9657076739096688
Energy: 0.906925797430372
Energy: 0.9657076739096688
Energy: 0.769019179835258
Energy: 0.8847684328506927
Energy: 0.7690191798363756
Energy: 0.8847684328518103
Energy: 0.7690191798358168
Energy: 0.8847684328518103
Energy: 0.9078321492902655
Energy: 0.8952289218155918
Energy: 0.9078321492902655
Energy: 0.8952289218161504
Energy: 0.9078321492902655
Energy: 0.8952289218155918
Energy: 0.8493647028628157
Energy: 0.8146826438595336
Energy: 0.8493647028633746
Energy: 0.8146826438589749
Energy: 0.8493647028644922
Energy: 0.8146826438589749
Energy: 0.8212136030800141
Energy: 0.8842884330139943
Energy: 0.8212136030783377
Energy: 0.8842884330139943
Energy: 0.8212136030800141
Energy: 0.8842884330139943
Energy: 0.9244424963530836
Energy: 0.9457982077702652
Energy: 0.9244424963530836
Energy: 0.9457982077702652
Energy: 0.924442496352525
Energy: 0.9457982077702652
Energy: 0.8745188996531349
Energy: 0.7643765822479468
Energy: 0.874518899652576
Energy: 0.7643765822479468
Energy: 0.87451889962799
Energy: 0.7643765822473881
Energy: 0.8477616150646101
Energy: 0.924599145445533
Energy: 0.8477616150640512
Energy: 0.9245991454460918
Energy: 0.8477616150640512
Energy: 0.924599145445533
Energy: 0.8849635829634274
Energy: 0.9151897929424544
Energy: 0.8849635829639863
Energy: 0.9151897929424544
Energy: 0.8849635829634274
Energy: 0.9151897929424544
Energy: 0.8961586205289698
Energy: 0.7367165080269066
Energy: 0.8961586205284109
Energy: 0.7367165080263478
Energy: 0.8961586205278522
Energy: 0.7367165080263478
Energy: 0.8701926167183768
Energy: 0.9524636557521805
Energy: 0.8701926167183768
Energy: 0.9524636557521805
Energy: 0.8701926167183768
Energy: 0.9524636557521805
Energy: 0.8780272832076008
Energy: 0.8897971692560965
Energy: 0.8780272832087186
Energy: 0.8897971692560965
Energy: 0.8780272832087186
Energy: 0.8897971692560965
Energy: 0.8952123048135037
Energy: 0.8419192927442113
Energy: 0.8952123048135037
Energy: 0.8419192927414682
Energy: 0.8952123048129448
Energy: 0.8419192927447701
Energy: 0.8652627064672987
Energy: 1.0115123267786452
Energy: 0.8652627064684163
Energy: 1.0115123267780866
Energy: 0.8652627064678576
Energy: 1.0115123267775277
Energy: 0.9313292844267396
Energy: 0.8654981512083741
Energy: 0.9313292844261809
Energy: 0.8654981512089328
Energy: 0.9313292844267396
Energy: 0.8654981512089328
Energy: 0.9171686948923251
Energy: 0.8900415906673579
Energy: 0.9171686948906487
Energy: 0.8900415906673579
Energy: 0.9171686948917663
Energy: 0.8900415906667992
Energy: 0.904458177631764
Energy: 0.9819077673955727
Energy: 0.904458177631764
Energy: 0.9819077673955727
Energy: 0.9044581776328814
Energy: 0.9819077673955727
Energy: 0.8897277255237108
Energy: 0.8539261540685622
Energy: 0.889727725523152
Energy: 0.8539261540680037
Energy: 0.889727725523152
Energy: 0.8539261540685622
Energy: 0.894477648986705
Energy: 0.8834814580905641
Energy: 0.8944776489872637
Energy: 0.8834814580905641
Energy: 0.8944776489872637
Energy: 0.8834814580905641
Energy: 0.8707757204193542
Energy: 0.9345817247597672
Energy: 0.8707757204210307
Energy: 0.9345817247592083
Energy: 0.8707757204193542
Energy: 0.9345817247597672
Energy: 1.009570854773023
Energy: 0.7901808241992108
Energy: 1.0095708547724644
Energy: 0.7901808241997695
Energy: 1.0095708547724644
Energy: 0.7901808241997695
Energy: 0.9055577064536401
Energy: 0.9030305013227355
Energy: 0.905557706454199
Energy: 0.9030305013221767
Energy: 0.9055577064536401
Energy: 0.9030305013227355
Energy: 0.8306516881216708
Energy: 0.8730354017842742
Energy: 0.830651688121112
Energy: 0.8730354017842742
Energy: 0.8306516881205532
Energy: 0.8730354017848331
Energy: 1.0260027962332237
Energy: 0.8423792974299126
Energy: 1.0260027962337825
Energy: 0.8423792974299126
Energy: 1.026002796232665
Energy: 0.8423792974299126
Energy: 0.9019072384715447
Energy: 0.8969518566996099
Energy: 0.9019072384715447
Energy: 0.8969518566996099
Energy: 0.9557461044451105
Energy: 0.8969518566990512
Energy: 0.790963581600288
Energy: 0.8552164329418125
Energy: 0.7909635815986117
Energy: 0.8552164329418125
Energy: 0.790963581600288
Energy: 0.8552164329406947
Energy: 0.9094172107014941
Energy: 0.8629144197847068
Energy: 0.9094172107009352
Energy: 0.8629144197841481
Energy: 0.9094172107020527
Energy: 0.8629144197847068

minimum gb energy = 0.7367165080263478 eV
minimum distance =  2.33442465812328 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.1860653629097704
Energy: 1.0759712369657797
Energy: 1.1860653629113627
Energy: 1.0759712369665757
Energy: 1.1860653629097704
Energy: 1.0759712369657797
Energy: 1.0510913037392535
Energy: 1.0773222572722063
Energy: 1.0510913037384573
Energy: 1.0773222572722063
Energy: 1.0510913037392535
Energy: 1.0773222572722063
Energy: 1.1213202976948882
Energy: 1.149502675968383
Energy: 1.1213202976940917
Energy: 1.149502675968383
Energy: 1.1213202976948882
Energy: 1.1495026759675868
Energy: 1.1335711651528488
Energy: 1.0634870744181473
Energy: 1.1335711651520526
Energy: 1.0634870744181473
Energy: 1.1335711651528488
Energy: 1.0634870744181473
Energy: 0.9337875958918197
Energy: 1.0315578238657157
Energy: 0.9337875958918197
Energy: 1.031557823866512
Energy: 0.9337875958910236
Energy: 1.031557823866512
Energy: 1.1154195301099248
Energy: 1.1040487467825824
Energy: 1.1154195301099248
Energy: 1.1040487467825824
Energy: 1.1154195301099248
Energy: 1.1040487467825824
Energy: 1.0448097847789397
Energy: 1.148858652572579
Energy: 1.0448097847789397
Energy: 1.148858652572579
Energy: 1.044809784779736
Energy: 1.148858652571783
Energy: 1.0467165726960577
Energy: 1.0314521235444227
Energy: 1.0467165726952614
Energy: 1.0314521235436267
Energy: 1.0467165726944654
Energy: 1.0314521235436267
Energy: 1.1669146106639365
Energy: 1.1609898045060714
Energy: 1.1669146106639365
Energy: 1.1609898045060714
Energy: 1.1669146106639365
Energy: 1.160989804505275
Energy: 1.1117776983301388
Energy: 0.9626485895899966
Energy: 1.1117776983301388
Energy: 0.9626485895899966
Energy: 1.1117776983293428
Energy: 0.9626485895892004
Energy: 1.15477553812729
Energy: 1.1098896248731613
Energy: 1.15477553812729
Energy: 1.1098896248731613
Energy: 1.154775538128086
Energy: 1.1098896248731613
Energy: 1.0453693528306003
Energy: 1.1006567351757712
Energy: 1.0453693528313965
Energy: 1.1006567351757712
Energy: 1.0453693528306003
Energy: 1.1006567351757712
Energy: 1.116794748274361
Energy: 1.0352605593855437
Energy: 1.1167947482735645
Energy: 1.0352605593855437
Energy: 1.1167947482727685
Energy: 1.0352605593863398
Energy: 1.0461782240371413
Energy: 1.1404386708724057
Energy: 1.0461782240371413
Energy: 1.1404386708724057
Energy: 1.0461782240371413
Energy: 1.1404386708724057
Energy: 1.0614658849656948
Energy: 1.049227159503557
Energy: 1.061465884966491
Energy: 1.049227159503557
Energy: 1.0614658849656948
Energy: 1.0492271595043532
Energy: 1.0576419498327683
Energy: 1.0837022525207305
Energy: 1.0576419498406575
Energy: 1.0837022525207305
Energy: 1.0576419498390652
Energy: 1.0837022525215267
Energy: 1.1020112424123067
Energy: 1.12838910692769
Energy: 1.1020112424123067
Energy: 1.128389106928486
Energy: 1.1020112424123067
Energy: 1.12838910692769
Energy: 1.095948735758015
Energy: 1.0274411121540945
Energy: 1.0959487357604039
Energy: 1.0274411121540945
Energy: 1.0959487357596076
Energy: 1.0274411121540945
Energy: 1.1012013955699635
Energy: 1.1248053804007645
Energy: 1.1012013955699635
Energy: 1.1248053804007645
Energy: 1.1012013955699635
Energy: 1.1248053804007645
Energy: 1.1987048031133931
Energy: 1.1426094695160849
Energy: 1.1987048031133931
Energy: 1.1426094695160849
Energy: 1.1987048031141894
Energy: 1.1426094695160849
Energy: 1.1442705395224708
Energy: 1.0393795401440964
Energy: 1.1442705395216743
Energy: 1.0393795401440964
Energy: 1.1442705395216743
Energy: 1.0393795401440964
Energy: 1.1392821870858
Energy: 1.1733715380995948
Energy: 1.1392821870858
Energy: 1.1733715380995948
Energy: 1.1392821870850038
Energy: 1.1733715380995948
Energy: 0.9407348598694033
Energy: 1.1636849304234382
Energy: 0.9407348598701997
Energy: 1.1636849304234382
Energy: 0.9407348598701997
Energy: 1.163684930422642

minimum gb energy = 0.9337875958910236 eV
minimum distance =  2.32630301209707 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.3050147535412506
Energy: 1.150779931462162
Energy: 1.3050147535417556
Energy: 1.150779931462162
Energy: 1.3050147535412506
Energy: 1.150779931462162
Energy: 1.1700970846618801
Energy: 1.2009221484749366
Energy: 1.170097084661375
Energy: 1.2009221484754415
Energy: 1.170097084661375
Energy: 1.2009221484764516
Energy: 1.2493773235306564
Energy: 1.248066016206289
Energy: 1.2493773235311616
Energy: 1.248066016205784
Energy: 1.2493773235301515
Energy: 1.248066016206289
Energy: 1.2498086003302122
Energy: 1.1704546508690128
Energy: 1.2498086003286968
Energy: 1.1704546508685076
Energy: 1.2498086003281916
Energy: 1.1704546508690128
Energy: 1.17369128396704
Energy: 1.193854738254026
Energy: 1.1736912839650195
Energy: 1.1938547382550362
Energy: 1.1736912839675449
Energy: 1.193854738253521
Energy: 1.334465209123552
Energy: 1.275015850904711
Energy: 1.334465209123047
Energy: 1.275015850904206
Energy: 1.3344652091215317
Energy: 1.275015850904206
Energy: 1.167087757751353
Energy: 1.1223227999638044
Energy: 1.167087757752363
Energy: 1.1223227999622891
Energy: 1.167087757752363
Energy: 1.1223227999627943
Energy: 1.2508441397267955
Energy: 1.2400132519016582
Energy: 1.2508441397252803
Energy: 1.2400132519021634
Energy: 1.2508441397267955
Energy: 1.2400132519021634
Energy: 1.2291992401113678
Energy: 1.2566465823235602
Energy: 1.2291992401113678
Energy: 1.2566465823235602
Energy: 1.2291992401113678
Energy: 1.2566465823235602
Energy: 1.339124143033154
Energy: 1.1906815356048266
Energy: 1.3391241430326488
Energy: 1.1906815356063418
Energy: 1.3391241430311338
Energy: 1.1906815356053315
Energy: 1.2890269495196496
Energy: 1.232871955733335
Energy: 1.2890269495196496
Energy: 1.232871955733335
Energy: 1.2890269495191444
Energy: 1.23287195573283
Energy: 1.1693469413505158
Energy: 1.1728817316137674
Energy: 1.1693469413500108
Energy: 1.1728817316137674
Energy: 1.169346941351021
Energy: 1.1728817316137674
Energy: 1.2937661684944095
Energy: 1.2001553455556038
Energy: 1.2937661684928943
Energy: 1.2001553455556038
Energy: 1.2937661684944095
Energy: 1.2001553455556038
Energy: 1.1761890188218374
Energy: 1.2342061742424082
Energy: 1.1761890188198172
Energy: 1.2342061742424082
Energy: 1.1761890188193123
Energy: 1.2342061742424082
Energy: 1.2135029086718228
Energy: 1.193808622893661
Energy: 1.213502908672328
Energy: 1.193808622893661
Energy: 1.2135029086718228
Energy: 1.193808622893661
Energy: 1.2494982070363705
Energy: 1.2570006269726741
Energy: 1.2494982070383907
Energy: 1.2570006269736844
Energy: 1.2494982070373806
Energy: 1.257000626972169
Energy: 1.0743239598811196
Energy: 1.2669083570363182
Energy: 1.074323959894757
Energy: 1.2669083570363182
Energy: 1.0743239598816245
Energy: 1.2669083570363182
Energy: 1.284521692108499
Energy: 1.3183061301275443
Energy: 1.284521692109004
Energy: 1.3183061301275443
Energy: 1.284521692108499
Energy: 1.3183061301275443
Energy: 1.1669526504353642
Energy: 1.273446928462917
Energy: 1.166952650433849
Energy: 1.273446928462412
Energy: 1.1669526504353642
Energy: 1.273446928462412
Energy: 1.311187541986297
Energy: 1.2504397438482635
Energy: 1.3111875419873071
Energy: 1.2504397438482635
Energy: 1.311187541986297
Energy: 1.2504397438482635
Energy: 1.2467813445018603
Energy: 1.2561048195344695
Energy: 1.246781344500345
Energy: 1.2561048195344695
Energy: 1.2467813445018603
Energy: 1.2561048195344695
Energy: 1.2096243109383247
Energy: 1.1470692538890326
Energy: 1.2096243109388296
Energy: 1.1470692538890326
Energy: 1.2096243109378195
Energy: 1.1470692538890326
Energy: 1.2194004717712001
Energy: 1.2324370340402966
Energy: 1.2194004717717053
Energy: 1.2324370340408017
Energy: 1.219400471769685
Energy: 1.2324370340402966
Energy: 1.318126330401631
Energy: 1.1738331478128532
Energy: 1.318126330401631
Energy: 1.1738331478128532
Energy: 1.318126330402136
Energy: 1.173833147812348
Energy: 1.1665814989413281
Energy: 1.1825585799783411
Energy: 1.1665814989433025
Energy: 1.1825585799788003
Energy: 1.1665814989443126
Energy: 1.1825585799788003
Energy: 1.230753056793224
Energy: 1.2477999760861007
Energy: 1.2307530567922138
Energy: 1.2477999760861007
Energy: 1.2307530567937293
Energy: 1.2477999760861007
Energy: 1.1669398591688427
Energy: 1.1501382753602007
Energy: 1.1669398591703581
Energy: 1.1501382753607057
Energy: 1.1669398591693476
Energy: 1.1501382753607057
Energy: 1.2561319772149506
Energy: 1.3292356861964123
Energy: 1.2561319772144455
Energy: 1.3292356861964123
Energy: 1.2561319772164659
Energy: 1.3292356861964123
Energy: 1.313781103667608
Energy: 1.1937357824893848
Energy: 1.3137811036681128
Energy: 1.19373578248989
Energy: 1.313781103668618
Energy: 1.1937357824893848
Energy: 1.162428328144257
Energy: 1.1302347458393485
Energy: 1.162428328144762
Energy: 1.1302347458393485
Energy: 1.1624283281452674
Energy: 1.1302347458393485
Energy: 1.3349987289076453
Energy: 1.3186567185341835
Energy: 1.3349987289071403
Energy: 1.3186567185341835
Energy: 1.3349987289081504
Energy: 1.3186567185341835
Energy: 1.100933930688778
Energy: 1.250513241190855
Energy: 1.1009339306923138
Energy: 1.250513241190855
Energy: 1.1009339306867574
Energy: 1.2505132411913602
Energy: 1.2490783479568481
Energy: 1.255184743419694
Energy: 1.2490783479563432
Energy: 1.2551847434201993
Energy: 1.2490783479588685
Energy: 1.2551847434201993
Energy: 1.2219959567218592
Energy: 1.200649867056452
Energy: 1.2219959567223642
Energy: 1.200649867055947
Energy: 1.2219959567233745
Energy: 1.2006498670574621
Energy: 1.1755394986297318
Energy: 1.2487124115510733
Energy: 1.1755394986302368
Energy: 1.2487124115505681
Energy: 1.1755394986292267
Energy: 1.2487124115505681
Energy: 1.3065385337944733
Energy: 1.154714010072625
Energy: 1.3065385337954833
Energy: 1.154714010072625
Energy: 1.3065385337929583
Energy: 1.154714010072625
Energy: 1.1675726929654744
Energy: 1.1925099555951324
Energy: 1.1675726929654744
Energy: 1.1925099555946272
Energy: 1.1675726929659793
Energy: 1.1925099555951324

minimum gb energy = 1.0743239598811196 eV
minimum distance =  2.31834573002712 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.4271184037741227
Energy: 1.3368535023998513
Energy: 1.4271184037713647
Energy: 1.3368535024012302
Energy: 1.4271184037727438
Energy: 1.3368535023998513
Energy: 1.3254402577259896
Energy: 1.3878627040397695
Energy: 1.3254402577259896
Energy: 1.3878627040397695
Energy: 1.3254402577259896
Energy: 1.3878627040397695
Energy: 1.5601851879215038
Energy: 1.3943261362197052
Energy: 1.560185187920125
Energy: 1.3943261362197052
Energy: 1.560185187920125
Energy: 1.3943261362197052
Energy: 1.4100539355122328
Energy: 1.4554586123434448
Energy: 1.4100539355136121
Energy: 1.4554586123434448
Energy: 1.4100539355053376
Energy: 1.4554586123434448
Energy: 1.4474898019938491
Energy: 1.3458706850456676
Energy: 1.4474898019938491
Energy: 1.3458706850470468
Energy: 1.447489801995228
Energy: 1.3458706850442888
Energy: 1.541698691090788
Energy: 1.4846452377776749
Energy: 1.541698691090788
Energy: 1.4846452377762958
Energy: 1.541698691090788
Energy: 1.4846452377762958
Energy: 1.4349310394340753
Energy: 1.2887874909158246
Energy: 1.4349310394340753
Energy: 1.2887874909158246
Energy: 1.4349310394340753
Energy: 1.2887874909185828
Energy: 1.3992071243736095
Energy: 1.3735601058357083
Energy: 1.3992071243736095
Energy: 1.3735601058357083
Energy: 1.3992071243736095
Energy: 1.3735601058357083
Energy: 1.328887966951185
Energy: 1.322054991207793
Energy: 1.328887966951185
Energy: 1.322054991207793
Energy: 1.328887966951185
Energy: 1.322054991207793
Energy: 1.4050435002413604
Energy: 1.363824707703125
Energy: 1.4050435002427395
Energy: 1.363824707704504
Energy: 1.4050435002427395
Energy: 1.363824707704504
Energy: 1.3291657394150012
Energy: 1.3946839875525188
Energy: 1.3291657394150012
Energy: 1.3946839875525188
Energy: 1.3291657394136218
Energy: 1.3946839875525188
Energy: 1.4040356421109492
Energy: 1.387975045001916
Energy: 1.4040356421109492
Energy: 1.387975045001916
Energy: 1.4040356421109492
Energy: 1.387975045001916
Energy: 1.4388380333910729
Energy: 1.452220682212161
Energy: 1.4388380333910729
Energy: 1.452220682212161
Energy: 1.4388380333910729
Energy: 1.45222068221354
Energy: 1.4441697320503897
Energy: 1.3858399711479985
Energy: 1.4441697320503897
Energy: 1.3858399711493772
Energy: 1.4441697320517686
Energy: 1.3858399711479985

minimum gb energy = 1.2887874909158246 eV
minimum distance =  2.30623265054191 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.6474527387368476
Energy: 1.5820005979521794
Energy: 1.6474527387368476
Energy: 1.5820005979521794
Energy: 1.6474527387368476
Energy: 1.5820005979521794
Energy: 1.4443015718112733
Energy: 1.5575725416654753
Energy: 1.4443015718112733
Energy: 1.5575725416660808
Energy: 1.4443015718112733
Energy: 1.5575725416660808
Energy: 1.578142479449228
Energy: 1.5126452050456476
Energy: 1.578142479449228
Energy: 1.5126452050456476
Energy: 1.5781424794498338
Energy: 1.5126452050456476
Energy: 1.5336162735486818
Energy: 1.461825470858382
Energy: 1.5336162735492875
Energy: 1.461825470858382
Energy: 1.5336162735492875
Energy: 1.461825470858382
Energy: 1.5718426698338748
Energy: 1.5163415393991295
Energy: 1.5718426698344805
Energy: 1.5163415393991295
Energy: 1.5718426698338748
Energy: 1.5163415393997353
Energy: 1.5015791859865288
Energy: 1.5648414729165085
Energy: 1.501579185985923
Energy: 1.5648414729165085
Energy: 1.5015791859853174
Energy: 1.5648414729165085
Energy: 1.5370426180331729
Energy: 1.534462747701746
Energy: 1.5370426180331729
Energy: 1.5344627477011403
Energy: 1.5370426180337788
Energy: 1.534462747701746
Energy: 1.50406049011065
Energy: 1.527981475989418
Energy: 1.5040604901112555
Energy: 1.5279814759912353
Energy: 1.50406049011065
Energy: 1.5279814759912353
Energy: 1.5278277176170931
Energy: 1.5292857343680544
Energy: 1.527827717617699
Energy: 1.5292857343686603
Energy: 1.527827717617699
Energy: 1.5292857343686603
Energy: 1.5157082163024262
Energy: 1.5447244850115136
Energy: 1.5157082163024262
Energy: 1.5447244850115136
Energy: 1.5157082163012148
Energy: 1.5447244850115136
Energy: 1.4742095444226064
Energy: 1.5554885060090966
Energy: 1.4742095444226064
Energy: 1.5554885060090966
Energy: 1.4742095444226064
Energy: 1.5554885060090966
Energy: 1.5499628152737837
Energy: 1.5759652590423787
Energy: 1.5499628152749954
Energy: 1.5759652590423787
Energy: 1.549962815273178
Energy: 1.5759652590423787
Energy: 1.5276818611366099
Energy: 1.4962102440001421
Energy: 1.5276818611366099
Energy: 1.4962102440001421
Energy: 1.5276818611366099
Energy: 1.4962102439995362
Energy: 1.518846941048222
Energy: 1.536181398397431
Energy: 1.5188469410476162
Energy: 1.536181398398037
Energy: 1.5188469410488277
Energy: 1.536181398398037
Energy: 1.4391764329776924
Energy: 1.52310003253248
Energy: 1.4391764329776924
Energy: 1.52310003253248
Energy: 1.439176432978298
Energy: 1.52310003253248
Energy: 1.5399048640622208
Energy: 1.5325429156145454
Energy: 1.5399048640628266
Energy: 1.5325429156145454
Energy: 1.5399048640622208
Energy: 1.5325429156145454
Energy: 1.4634555960686522
Energy: 1.5615183954265492
Energy: 1.4634555960692577
Energy: 1.5615183954265492
Energy: 1.4634555960692577
Energy: 1.5615183954265492
Energy: 1.5811225731778342
Energy: 1.6091322388389024
Energy: 1.5811225731778342
Energy: 1.6091322388389024
Energy: 1.581122573179046
Energy: 1.6091322388389024
Energy: 1.4853706587528077
Energy: 1.4587289849575613
Energy: 1.485370658752202
Energy: 1.4587289849575613
Energy: 1.4853706587528077
Energy: 1.4587289849575613
Energy: 1.5380742481181662
Energy: 1.5202035482373053
Energy: 1.538074248118772
Energy: 1.5202035482360936
Energy: 1.538074248118772
Energy: 1.5202035482366993
Energy: 1.4602299134856498
Energy: 1.4925710079673216
Energy: 1.4602299134862555
Energy: 1.4925710079673216
Energy: 1.4602299134856498
Energy: 1.4925710079673216
Energy: 1.5757483284649807
Energy: 1.598189900109732
Energy: 1.5757483284643752
Energy: 1.598189900109732
Energy: 1.5757483284643752
Energy: 1.598189900109732
Energy: 1.551103576561061
Energy: 1.512899482356617
Energy: 1.551103576561061
Energy: 1.5128994823572228
Energy: 1.551103576561061
Energy: 1.5128994823572228
Energy: 1.5827436177666774
Energy: 1.5577127772570474
Energy: 1.5827436177666774
Energy: 1.5577127772570474
Energy: 1.5827436177666774
Energy: 1.5577127772570474
Energy: 1.5115597408171915
Energy: 1.5177661880595772
Energy: 1.5115597408171915
Energy: 1.5177661880595772
Energy: 1.5115597408171915
Energy: 1.5177661880595772
Energy: 1.5036111581199256
Energy: 1.5203488437490726
Energy: 1.5036111581193197
Energy: 1.5203488437490726
Energy: 1.5036111581193197
Energy: 1.5203488437490726
Energy: 1.5056897908679128
Energy: 1.5682834567887467
Energy: 1.5056897908679128
Energy: 1.5682834567893527
Energy: 1.5056897908685187
Energy: 1.5682834567893527
Energy: 1.5540443212761588
Energy: 1.4852497636394166
Energy: 1.5540443212767643
Energy: 1.4852497636388107
Energy: 1.5540443212761588
Energy: 1.4852497636388107
Energy: 1.519674939103433
Energy: 1.5669021948926722
Energy: 1.519674939103433
Energy: 1.5669021948926722
Energy: 1.519674939102827
Energy: 1.5669021948920665
Energy: 1.4962047794062243
Energy: 1.4315068959937505
Energy: 1.4962047794056186
Energy: 1.4315068959937505
Energy: 1.4962047794068303
Energy: 1.4315068959937505
Energy: 1.5146941855798557
Energy: 1.598524991559849
Energy: 1.5146941855798557
Energy: 1.598524991559243
Energy: 1.514694185578644
Energy: 1.598524991559849

minimum gb energy = 1.4315068959937505 eV
minimum distance =  2.27552694683032 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.4659523553561484
Energy: 1.4408410606332385
Energy: 1.4659523553561484
Energy: 1.4408410606332385
Energy: 1.4659523553572267
Energy: 1.4408410606332385
Energy: 1.5268115213905085
Energy: 1.5739629594252242
Energy: 1.5268115213905085
Energy: 1.5739629594252242
Energy: 1.5268115213905085
Energy: 1.5739629594252242
Energy: 1.554892830836717
Energy: 1.502394468628959
Energy: 1.554892830836717
Energy: 1.502394468628959
Energy: 1.5548928308377947
Energy: 1.502394468628959
Energy: 1.4435099272028087
Energy: 1.6320908831009957
Energy: 1.4435099272028087
Energy: 1.6320908831009957
Energy: 1.4435099272038867
Energy: 1.6320908831020737
Energy: 1.554879738099978
Energy: 1.5024175843654408
Energy: 1.554879738099978
Energy: 1.5024175843654408
Energy: 1.554879738099978
Energy: 1.5024175843654408
Energy: 1.5268271744786097
Energy: 1.5650797916068122
Energy: 1.5268271744796877
Energy: 1.5650797916068122
Energy: 1.5268271744796877
Energy: 1.5650797916068122
Energy: 1.4659523553539924
Energy: 1.4408410606321604
Energy: 1.4659523553539924
Energy: 1.4408410606321604
Energy: 1.4659523553539924
Energy: 1.4408410606332385
Energy: 1.5268115213905085
Energy: 1.5739629594252242
Energy: 1.5268115213905085
Energy: 1.5739629594252242
Energy: 1.5268115213894302
Energy: 1.5739629594252242
Energy: 1.554892830841029
Energy: 1.502394468633271
Energy: 1.554892830842107
Energy: 1.502394468633271
Energy: 1.554892830841029
Energy: 1.5023944686343491
Energy: 1.4435099272038867
Energy: 1.5591125162571169
Energy: 1.4435099272038867
Energy: 1.5591125162581947
Energy: 1.4435099272049647
Energy: 1.5591125162581947
Energy: 1.554879738099978
Energy: 1.502417584370831
Energy: 1.5548797380978219
Energy: 1.502417584370831
Energy: 1.554879738099978
Energy: 1.5024175843697531
Energy: 1.5268271744829218
Energy: 1.449626276355939
Energy: 1.526827174485078
Energy: 1.449626276355939
Energy: 1.5268271744839998
Energy: 1.449626276357017
Energy: 1.4659523553572267
Energy: 1.4408410606332385
Energy: 1.4659523553572267
Energy: 1.4408410606321604
Energy: 1.4659523553572267
Energy: 1.4408410606321604
Energy: 1.5268115213915865
Energy: 1.5739629594263023
Energy: 1.5268115213894302
Energy: 1.5739629594252242
Energy: 1.5268115213894302
Energy: 1.5739629594263023
Energy: 1.5548928308356387
Energy: 1.502394468628959
Energy: 1.5548928308377947
Energy: 1.502394468628959
Energy: 1.5548928308377947
Energy: 1.502394468628959
Energy: 1.4435099272028087
Energy: 1.4057605011103027
Energy: 1.4435099272028087
Energy: 1.4057605011103027
Energy: 1.4435099272028087
Energy: 1.4057605011103027
Energy: 1.554879738101056
Energy: 1.5024175843654408
Energy: 1.554879738101056
Energy: 1.5024175843654408
Energy: 1.5548797380989
Energy: 1.5024175843654408

minimum gb energy = 1.4057605011103027 eV
minimum distance =  2.32703706844627 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.5889694958987668
Energy: 1.6466064093664463
Energy: 1.5889694958978866
Energy: 1.6466064093655663
Energy: 1.5889694958987668
Energy: 1.6466064093664463
Energy: 1.5708420387211237
Energy: 1.642746579177528
Energy: 1.5708420387211237
Energy: 1.642746579177528
Energy: 1.5708420387211237
Energy: 1.642746579177528
Energy: 1.5776265883790326
Energy: 1.605720932301267
Energy: 1.5776265883781522
Energy: 1.6057209323021473
Energy: 1.577626588377272
Energy: 1.605720932301267
Energy: 1.5324885339546412
Energy: 1.667667394399758
Energy: 1.5324885339555214
Energy: 1.6676673943988776
Energy: 1.5324885339546412
Energy: 1.6676673943988776
Energy: 1.5499599093557141
Energy: 1.6287476115344603
Energy: 1.5499599093565946
Energy: 1.6287476115353403
Energy: 1.5499599093557141
Energy: 1.6287476115344603
Energy: 1.5822040332406224
Energy: 1.5741827933999828
Energy: 1.5822040332406224
Energy: 1.574182793400863
Energy: 1.5822040332415026
Energy: 1.574182793400863
Energy: 1.5305556073585977
Energy: 1.6013254139751147
Energy: 1.5305556073585977
Energy: 1.6013254139742348
Energy: 1.5305556073585977
Energy: 1.6013254139751147
Energy: 1.5388049410732394
Energy: 1.5922119494432128
Energy: 1.5388049410741198
Energy: 1.5922119494432128
Energy: 1.5388049410741198
Energy: 1.592211949444093
Energy: 1.6732928356191632
Energy: 1.6113850843903312
Energy: 1.6732928356191632
Energy: 1.6113850843903312
Energy: 1.6732928356191632
Energy: 1.6113850843903312
Energy: 1.5598091692945788
Energy: 1.5743213980133646
Energy: 1.5598091692928182
Energy: 1.5743213980133646
Energy: 1.559809169295459
Energy: 1.5743213980133646
Energy: 1.5488025102096687
Energy: 1.5700109834930205
Energy: 1.5488025102096687
Energy: 1.5700109834921403
Energy: 1.606207136608786
Energy: 1.5700109834921403
Energy: 1.6539860459201616
Energy: 1.5685788710036035
Energy: 1.6539860459210418
Energy: 1.5685788710036035
Energy: 1.6539860459210418
Energy: 1.568578871004484
Energy: 1.5476203834907079
Energy: 1.6486219891308707
Energy: 1.5476203834907079
Energy: 1.6486219891308707
Energy: 1.5476203834898274
Energy: 1.6486219891308707
Energy: 1.5357434983593063
Energy: 1.6387599398591206
Energy: 1.5357434983593063
Energy: 1.6387599398591206
Energy: 1.5357434983593063
Energy: 1.6387599398591206
Energy: 1.6076959306230245
Energy: 1.5562767668398745
Energy: 1.607695930622144
Energy: 1.5562767668398745
Energy: 1.6076959306230245
Energy: 1.5562767668389943
Energy: 1.5980299117198524
Energy: 1.6310238180788936
Energy: 1.5980299117198524
Energy: 1.6310238180788936
Energy: 1.5980299117207326
Energy: 1.6310238180788936
Energy: 1.6544762747936046
Energy: 1.6313644483823495
Energy: 1.6544762747936046
Energy: 1.6313644483823495
Energy: 1.6544762747936046
Energy: 1.6313644483823495
Energy: 1.762283003946587
Energy: 1.5691237771467628
Energy: 1.762283003946587
Energy: 1.5691237771458824
Energy: 1.762283003947467
Energy: 1.5691237771467628
Energy: 1.553663318313179
Energy: 1.5789347586161775
Energy: 1.5536633183122988
Energy: 1.578934758617058
Energy: 1.5536633183114184
Energy: 1.5789347586161775
Energy: 1.6029278839369099
Energy: 1.5834590129002772
Energy: 1.6029278839377898
Energy: 1.5834590129011574
Energy: 1.6029278839369099
Energy: 1.5834590129002772
Energy: 1.6579516554450167
Energy: 1.5662757674670635
Energy: 1.6579516554450167
Energy: 1.5662757674670635
Energy: 1.6579516554450167
Energy: 1.566275767467944

minimum gb energy = 1.5305556073585977 eV
minimum distance =  2.28028346841629 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.6463148417962417
Energy: 1.6379052327026447
Energy: 1.6042982101346952
Energy: 1.6379052327011605
Energy: 1.6463148417962417
Energy: 1.6379052327041281
Energy: 1.6365902709754419
Energy: 1.5569436193494328
Energy: 1.6365902709732159
Energy: 1.5569436193494328
Energy: 1.6365902709746998
Energy: 1.5569436193590784
Energy: 1.5367638858684187
Energy: 1.5319620413121677
Energy: 1.536763885866193
Energy: 1.5319620413121677
Energy: 1.5367638858684187
Energy: 1.5319620413136517
Energy: 1.4887057834648127
Energy: 1.6238501707268898
Energy: 1.488705783461103
Energy: 1.6238501707268898
Energy: 1.4887057834648127
Energy: 1.6238501707261477
Energy: 1.4969844827272474
Energy: 1.5753176956559345
Energy: 1.4969844827279895
Energy: 1.5753176956559345
Energy: 1.4969844827272474
Energy: 1.5753176956618702
Energy: 1.5813090481797016
Energy: 1.6138974027026505
Energy: 1.5813090481789596
Energy: 1.6138974027026505
Energy: 1.5813090481797016
Energy: 1.6138974026974569
Energy: 1.494959931381247
Energy: 1.6257730508908013
Energy: 1.4949599313879245
Energy: 1.6257730508908013
Energy: 1.494959931381247
Energy: 1.6257730508908013
Energy: 1.6467036513900422
Energy: 1.5859919722048392
Energy: 1.6467036513900422
Energy: 1.5859919722048392
Energy: 1.6467036513900422
Energy: 1.5859919722033553
Energy: 1.6812194280708581
Energy: 1.4941542893780029
Energy: 1.681182801117984
Energy: 1.4941542893780029
Energy: 1.6812194280708581
Energy: 1.4941542893780029
Energy: 1.6301033123393118
Energy: 1.5826497293670077
Energy: 1.6299317118551253
Energy: 1.5826497293677497
Energy: 1.63010331233857
Energy: 1.5826497293640733
Energy: 1.6257839972965624
Energy: 1.610916355959276
Energy: 1.6258747310895871
Energy: 1.610916355959276
Energy: 1.6257839972965624
Energy: 1.6109163559570505
Energy: 1.6265286095622484
Energy: 1.4963164199848533
Energy: 1.6265286095637324
Energy: 1.4963164199841115
Energy: 1.6265286095622484
Energy: 1.4963164199826275
Energy: 1.5584735759364057
Energy: 1.62612367230114
Energy: 1.5584735759356638
Energy: 1.62612367230114
Energy: 1.5584735759356638
Energy: 1.6261236723003984
Energy: 1.4884916974458948
Energy: 1.5350813006823483
Energy: 1.4884916974481208
Energy: 1.5350813006853161
Energy: 1.4884916974466367
Energy: 1.5350813006853161
Energy: 1.6027159976591707
Energy: 1.6151717261953213
Energy: 1.6025579875425224
Energy: 1.6151717261953213
Energy: 1.602715997671784
Energy: 1.6151717261990313
Energy: 1.5380171887706333
Energy: 1.6403313243571873
Energy: 1.5380171887684073
Energy: 1.640331324356445
Energy: 1.5380171887706333
Energy: 1.640331324357929
Energy: 1.4950774711348016
Energy: 1.5369212075309373
Energy: 1.4950774711325756
Energy: 1.5369212075316792
Energy: 1.4950774711348016
Energy: 1.5369212075287115
Energy: 1.623777907354271
Energy: 1.545134865395486
Energy: 1.6237779073513032
Energy: 1.5451348654043893
Energy: 1.623777907353529
Energy: 1.5451348653999375
Energy: 1.5352858265863498
Energy: 1.5339041884639697
Energy: 1.440052237983596
Energy: 1.5339041884639697
Energy: 1.5352858265856077
Energy: 1.5339041884632276
Energy: 1.6463148417947582
Energy: 1.6379052327256451
Energy: 1.604298210135437
Energy: 1.6379052327278711
Energy: 1.646314841794016
Energy: 1.637905232732323
Energy: 1.6365902709724738
Energy: 1.5569436193472068
Energy: 1.636590270969506
Energy: 1.5569436193472068
Energy: 1.6365902709732159
Energy: 1.5569436193568524
Energy: 1.5367638858706447
Energy: 1.5319620413114257
Energy: 1.5367638858684187
Energy: 1.5319620413114257
Energy: 1.5367638858706447
Energy: 1.5319620413121677
Energy: 1.4887057834677806
Energy: 1.6238501707276316
Energy: 1.4887057834640707
Energy: 1.6238501707283737
Energy: 1.4887057834677806
Energy: 1.6238501707276316
Energy: 1.4969844827242793
Energy: 1.5753176956551924
Energy: 1.4969844827242793
Energy: 1.5753176956551924
Energy: 1.4969844827242793
Energy: 1.5753176956603863
Energy: 1.5813090481767338
Energy: 1.6138974027041344
Energy: 1.5813090481782177
Energy: 1.6138974027041344
Energy: 1.5813090481767338
Energy: 1.6138974026989408

minimum gb energy = 1.440052237983596 eV
minimum distance =  2.27952673136417 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.4995525694484182
Energy: 1.5534983503256001
Energy: 1.4995525694477776
Energy: 1.5534983503256001
Energy: 1.4995525694484182
Energy: 1.5534983503256001
Energy: 1.559924643790169
Energy: 1.5320912194598955
Energy: 1.559924643790169
Energy: 1.532091219460536
Energy: 1.559924643790169
Energy: 1.5320912194598955
Energy: 1.6433754695994196
Energy: 1.4275994961723715
Energy: 1.6433754695994196
Energy: 1.4275994961730119
Energy: 1.6433754695987792
Energy: 1.4275994961723715
Energy: 1.4468282196905038
Energy: 1.5530209838284004
Energy: 1.4468282196905038
Energy: 1.5530209838284004
Energy: 1.4468282196911442
Energy: 1.5530209838284004
Energy: 1.519032715909854
Energy: 1.558681924714226
Energy: 1.5190327159104944
Energy: 1.5586819247148664
Energy: 1.5190327159104944
Energy: 1.558681924714226
Energy: 1.5696207698656235
Energy: 1.4569202758527304
Energy: 1.5696207698656235
Energy: 1.4569202758527304
Energy: 1.5696207698662636
Energy: 1.4569202758527304
Energy: 1.443131067899009
Energy: 1.6523074382901306
Energy: 1.4431310678996494
Energy: 1.6523074382907714
Energy: 1.443131067899009
Energy: 1.6523074382901306
Energy: 1.4853159753152545
Energy: 1.6630524492509853
Energy: 1.4853159753158949
Energy: 1.6630524492516257
Energy: 1.4853159753152545
Energy: 1.6630524492509853
Energy: 1.6213525341615243
Energy: 1.4261877858168428
Energy: 1.6213525341615243
Energy: 1.4261877858168428
Energy: 1.6213525341608839
Energy: 1.4261877858168428
Energy: 1.5582880956951848
Energy: 1.5475994309310712
Energy: 1.5582880956945442
Energy: 1.5475994309317118
Energy: 1.5582880956951848
Energy: 1.5475994309317118
Energy: 1.4311271303405244
Energy: 1.648999985022543
Energy: 1.4311271303398838
Energy: 1.648999985022543
Energy: 1.4311271303405244
Energy: 1.648999985022543
Energy: 1.559619736894392
Energy: 1.4515413017776688
Energy: 1.559619736894392
Energy: 1.4515413017776688
Energy: 1.559619736894392
Energy: 1.4515413017776688
Energy: 1.5443001388493633
Energy: 1.47988662834456
Energy: 1.5443001388487227
Energy: 1.47988662834456
Energy: 1.5443001388487227
Energy: 1.47988662834456
Energy: 1.451869517494468
Energy: 1.5525656428481907
Energy: 1.451869517494468
Energy: 1.5525656428494716
Energy: 1.451869517494468
Energy: 1.5525656428494716
Energy: 1.5848576052561352
Energy: 1.4550794259824937
Energy: 1.5848576052554946
Energy: 1.4550794259831341
Energy: 1.5848576052554946
Energy: 1.4550794259824937
Energy: 1.6401993852075827
Energy: 1.4265827211743334
Energy: 1.6401993852075827
Energy: 1.4265827211743334
Energy: 1.6401993852075827
Energy: 1.4265827211743334
Energy: 1.4620024997542738
Energy: 1.5443651202893212
Energy: 1.4620024997542738
Energy: 1.5443651202893212
Energy: 1.4620024997542738
Energy: 1.5443651202893212
Energy: 1.5319025431261706
Energy: 1.567255874006479
Energy: 1.5319025431255302
Energy: 1.567255874006479
Energy: 1.5319025431255302
Energy: 1.567255874006479
Energy: 1.5132054242511066
Energy: 1.4547895757074218
Energy: 1.5132054242511066
Energy: 1.4547895757080622
Energy: 1.5132054242511066
Energy: 1.4547895757080622
Energy: 1.4538602787316957
Energy: 1.5432056998706427
Energy: 1.4538602787316957
Energy: 1.5432056998706427
Energy: 1.4538602787316957
Energy: 1.5432056998706427
Energy: 1.452272834717207
Energy: 1.651261799895254
Energy: 1.4522728347178473
Energy: 1.651261799895254
Energy: 1.452272834717207
Energy: 1.651261799895254
Energy: 1.630289198515853
Energy: 1.4479702598272333
Energy: 1.630289198515853
Energy: 1.4479702598272333
Energy: 1.630289198515853
Energy: 1.4479702598272333
Energy: 1.6018124042871438
Energy: 1.5425630735753595
Energy: 1.6018124042871438
Energy: 1.5425630735753595
Energy: 1.6018124042871438
Energy: 1.5425630735753595
Energy: 1.4954359124140293
Energy: 1.5587333577032418
Energy: 1.4954359124140293
Energy: 1.5587333577032418
Energy: 1.4954359124146699
Energy: 1.5587333577032418
Energy: 1.5241760378277163
Energy: 1.4484201171760698
Energy: 1.5241760378270757
Energy: 1.4484201171760698
Energy: 1.5241760378277163
Energy: 1.4484201171760698
Energy: 1.5701739366029244
Energy: 1.4876094567751115
Energy: 1.570173936602284
Energy: 1.4876094567757518
Energy: 1.570173936602284
Energy: 1.4876094567757518
Energy: 1.4263931156930079
Energy: 1.543136691558885
Energy: 1.4263931156936485
Energy: 1.543136691558885
Energy: 1.4263931156936485
Energy: 1.5431366915595255
Energy: 1.5733619231150258
Energy: 1.4550519528437955
Energy: 1.5733619231150258
Energy: 1.4550519528437955
Energy: 1.5733619231150258
Energy: 1.4550519528437955
Energy: 1.5389577980779587
Energy: 1.4548350383508248
Energy: 1.5389577980773184
Energy: 1.4548350383508248
Energy: 1.5389577980766778
Energy: 1.4548350383508248

minimum gb energy = 1.4261877858168428 eV
minimum distance =  2.28400602550803 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.4186808460716072
Energy: 1.5736907247839609
Energy: 1.4186808460710953
Energy: 1.5736907247839609
Energy: 1.4186808460710953
Energy: 1.5736907247839609
Energy: 1.5199423071237816
Energy: 1.4488342555304123
Energy: 1.519942307126597
Energy: 1.4488342555304123
Energy: 1.5199423071282858
Energy: 1.4488342555309752
Energy: 1.5173825345607042
Energy: 1.3878341158421728
Energy: 1.5173825345607042
Energy: 1.3878341158421728
Energy: 1.5173825345612668
Energy: 1.3878341158427359
Energy: 1.3584054671162622
Energy: 1.5284256357250547
Energy: 1.3584054671173884
Energy: 1.5284256357256176
Energy: 1.358405467116825
Energy: 1.5284256357261807
Energy: 1.3809509674697944
Energy: 1.464729406006112
Energy: 1.380950967470357
Energy: 1.4647294060055487
Energy: 1.380950967470357
Energy: 1.4647294060055487
Energy: 1.5284436647293884
Energy: 1.3710231960139458
Energy: 1.5284436647305144
Energy: 1.3710231960139458
Energy: 1.5284436647305144
Energy: 1.3710231960139458
Energy: 1.3915219639817042
Energy: 1.5005158269705023
Energy: 1.3915219639811414
Energy: 1.5005158269705023
Energy: 1.3915219639822674
Energy: 1.5005158269693761
Energy: 1.3565682156809336
Energy: 1.500808099618836
Energy: 1.3565682156814964
Energy: 1.500808099618836
Energy: 1.3565682156814964
Energy: 1.5008080996160211
Energy: 1.527705891277933
Energy: 1.3726889162233766
Energy: 1.5277058912790593
Energy: 1.3726889162233766
Energy: 1.5277058912790593
Energy: 1.3726889162233766
Energy: 1.4416712187766287
Energy: 1.5374086473200201
Energy: 1.4416712187777547
Energy: 1.537408647319457
Energy: 1.4416712187771916
Energy: 1.5374086473200201
Energy: 1.3554448501608074
Energy: 1.6877586528060997
Energy: 1.3554448501608074
Energy: 1.6877586528060997
Energy: 1.3554448501596812
Energy: 1.6877586528060997
Energy: 1.547747372236849
Energy: 1.4503483047118249
Energy: 1.547747372238538
Energy: 1.4503483047118249
Energy: 1.547747372237412
Energy: 1.4503483047118249
Energy: 1.5100445476352597
Energy: 1.3879813509584864
Energy: 1.5100445476358224
Energy: 1.3879813509584864
Energy: 1.5100445476363853
Energy: 1.3879813509584864
Energy: 1.4192325961424843
Energy: 1.5126648206509266
Energy: 1.4192325961424843
Energy: 1.5126648206498008
Energy: 1.4192325961430472
Energy: 1.512664820650364
Energy: 1.5368612033888445
Energy: 1.4517027309456971
Energy: 1.5368612033877187
Energy: 1.4517027309456971
Energy: 1.5368612033882816
Energy: 1.4517027309462602
Energy: 1.5177222780472877
Energy: 1.3911227883889532
Energy: 1.5177222780467245
Energy: 1.3911227883889532
Energy: 1.5177222780461617
Energy: 1.3911227883889532
Energy: 1.3559025156946514
Energy: 1.5308593371743349
Energy: 1.3559025156946514
Energy: 1.530859337173772
Energy: 1.3559025156946514
Energy: 1.530859337173772
Energy: 1.350173134487738
Energy: 1.511902713230974
Energy: 1.3501731344883008
Energy: 1.511902713230974
Energy: 1.350173134487738
Energy: 1.511902713230974
Energy: 1.5276409363563712
Energy: 1.3725657357414887
Energy: 1.5276409363586232
Energy: 1.3725657357414887
Energy: 1.5276409363574972
Energy: 1.3725657357414887
Energy: 1.391730677565637
Energy: 1.4470902816585014
Energy: 1.391730677563385
Energy: 1.4470902816585014
Energy: 1.391730677565637
Energy: 1.4470902816585014
Energy: 1.3774286360271826
Energy: 1.6887811352586921
Energy: 1.3774286360271826
Energy: 1.6887811352586921
Energy: 1.3774286360266195
Energy: 1.6887811352581292
Energy: 1.5371843370580853
Energy: 1.370341637307919
Energy: 1.5371843370575224
Energy: 1.370341637307356
Energy: 1.5371843370575224
Energy: 1.370341637307356
Energy: 1.5476436122965036
Energy: 1.3700339428674102
Energy: 1.5476436122959407
Energy: 1.3700339428674102
Energy: 1.5476436122965036
Energy: 1.3700339428674102
Energy: 1.3575669225321765
Energy: 1.5489561404962349
Energy: 1.3575669225321765
Energy: 1.5489561404956715
Energy: 1.3575669225321765
Energy: 1.5489561404956715
Energy: 1.4889802188485886
Energy: 1.4537226749675867
Energy: 1.4889802188480254
Energy: 1.4537226749675867
Energy: 1.4889802188485886
Energy: 1.4537226749675867
Energy: 1.5096485788963454
Energy: 1.3911868239020093
Energy: 1.5096485788974712
Energy: 1.3911868239025722
Energy: 1.5096485788940932
Energy: 1.3911868239025722
Energy: 1.4189571199963895
Energy: 1.5152333521473702
Energy: 1.4189571199963895
Energy: 1.515233352147933
Energy: 1.4189571199969524
Energy: 1.515233352147933
Energy: 1.4194636917393249
Energy: 1.5317481735563596
Energy: 1.4194636917381989
Energy: 1.5317481735563596
Energy: 1.419463691738762
Energy: 1.5317481735563596
Energy: 1.549396754758409
Energy: 1.387572961371106
Energy: 1.5493967547572833
Energy: 1.3875729613705432
Energy: 1.5493967547578462
Energy: 1.387572961371106
Energy: 1.3502570238234115
Energy: 1.4693482123363164
Energy: 1.3502570238217226
Energy: 1.4693482123335015
Energy: 1.3502570238222855
Energy: 1.4693482123335015
Energy: 1.3569084688474842
Energy: 1.484261913680995
Energy: 1.3569084688469213
Energy: 1.484261913681558
Energy: 1.3569084688469213
Energy: 1.484261913680483
Energy: 1.5447798860372919
Energy: 1.3702187841743554
Energy: 1.5447798860367288
Energy: 1.3702187841743554
Energy: 1.5447798860389808
Energy: 1.3702187841743554
Energy: 1.5367084849703228
Energy: 1.3699884398866953
Energy: 1.5367084849691968
Energy: 1.3699884398866953
Energy: 1.5367084849703228
Energy: 1.3699884398866953

minimum gb energy = 1.350173134487738 eV
minimum distance =  2.29674769852725 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.020535175471356058
Energy: 1.1719391716228975
Energy: 0.02053517547094026
Energy: 1.1719391716233654
Energy: 0.020535175471356058
Energy: 1.1719391716228975
Energy: 0.021393037200191797
Energy: 0.4601708412588482
Energy: 0.02139303720065957
Energy: 0.4601708412588482
Energy: 0.021393037200191797
Energy: 0.4601708412593161
Energy: 1.6288353744109576
Energy: 0.4595031756089658
Energy: 1.6288353744114252
Energy: 0.4595031756103171
Energy: 1.6288353744114252
Energy: 0.4595031756029887
Energy: 0.02139303720107536
Energy: 0.4601708412597838
Energy: 0.02139303720107536
Energy: 0.4601708412602516
Energy: 0.021393037201543137
Energy: 0.4601708412602516

minimum gb energy = 0.02053517547094026 eV
minimum distance =  2.46571591137986 Angstroms
sigma value = 1