Model name: model_name=EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049696564674378
cohesive_energy=3.3687229668997767
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.010373291846172143
Energy: 0.01071657857050699
Energy: 0.31731149985480317
Energy: 0.010716578571006781
Energy: 0.01071657857050699
Energy: 0.18199428458619213
Energy: 0.01071657857050699
Energy: 0.18199428458569236
Energy: 0.31731149985433116
Energy: 0.010716578571006781
Energy: 0.010373291846172143
Energy: 0.01071657857050699
Energy: 0.010716578571478806
Energy: 0.18199428458569236
Energy: 0.01071657857050699
Energy: 0.18199428458569236

minimum gb energy = 0.010373291846172143 eV
minimum distance =  2.75307775080092 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.3764103282079888
Energy: 0.3638213305193975
Energy: 0.4209932825036992
Energy: 0.36382133052060983
Energy: 0.36963913615260013
Energy: 0.3807522683611285
Energy: 0.37293135096809094
Energy: 0.38075226836052234
Energy: 0.36448715620700256
Energy: 0.3555010756523447
Energy: 0.3663258696567534
Energy: 0.3555010756517385
Energy: 0.3653786085560636
Energy: 0.38508684698240647
Energy: 0.3686099215457756
Energy: 0.3850868469830125
Energy: 0.36400032561075374
Energy: 0.37317056581467445
Energy: 0.3645322953269762
Energy: 0.37317056581467445
Energy: 0.36940327522162897
Energy: 0.3645267118668105
Energy: 0.35680857172098673
Energy: 0.3645267118668105
Energy: 0.36836345737982573
Energy: 0.3554242414163553
Energy: 0.3719120895052508
Energy: 0.3554242414169614
Energy: 0.36644321190422025
Energy: 0.36688656041411344
Energy: 0.35714978200884157
Energy: 0.36688656041411344
Energy: 0.36728910100841383
Energy: 0.3823749157695094
Energy: 0.37354034941674685
Energy: 0.3823749157701155
Energy: 0.35426643501729893
Energy: 0.3556533286973792
Energy: 0.36819295514251454
Energy: 0.35565332869859145
Energy: 0.3683382441695732
Energy: 0.3806515711175105
Energy: 0.3673870082380812
Energy: 0.38065157111690434
Energy: 0.39764350422838124
Energy: 0.3676850417642076
Energy: 0.3597120763695707
Energy: 0.36768504176360145
Energy: 0.3705388043380097
Energy: 0.3772082191131631
Energy: 0.3683835209917474
Energy: 0.3772082191137692
Energy: 0.3667749344983573
Energy: 0.36289685553368156
Energy: 0.3614885121055408
Energy: 0.36289685553186307
Energy: 0.3851165102390196
Energy: 0.3784598195163146
Energy: 0.38184018788325613
Energy: 0.3784598195169207
Energy: 0.36497997246080444
Energy: 0.37914761564852034
Energy: 0.3802320156246034
Energy: 0.3791476156491265
Energy: 0.3663433444715465
Energy: 0.3554802011672302
Energy: 0.3633882944588257
Energy: 0.35548020116662404
Energy: 0.37272708355171663
Energy: 0.3778502349316736
Energy: 0.3698921334246889
Energy: 0.3778502349316736
Energy: 0.4055446134991248
Energy: 0.3640563059248807
Energy: 0.3588044989866604
Energy: 0.3640563059248807
Energy: 0.3741937669400806
Energy: 0.3930630049154486
Energy: 0.36805741035495204
Energy: 0.3930630049160547
Energy: 0.3559808255884278
Energy: 0.3553429310378576
Energy: 0.3615888322748173
Energy: 0.35534293103906983
Energy: 0.3682161109069525
Energy: 0.38512687007111296
Energy: 0.3667422743968807
Energy: 0.38512687007171914
Energy: 0.41623072840951686
Energy: 0.37102464772318083
Energy: 0.3643578130120647
Energy: 0.37102464772439314
Energy: 0.3770499286469035
Energy: 0.35594158137569615
Energy: 0.369507947857169
Energy: 0.35594158137508997
Energy: 0.37243487020716626
Energy: 0.3745978503921352
Energy: 0.3693069022015943
Energy: 0.3745978503921352
Energy: 0.3634314637017803
Energy: 0.37136177733526
Energy: 0.36541075739624856
Energy: 0.37136177733586617
Energy: 0.37087695567333945
Energy: 0.37964730666469915
Energy: 0.36929656608272166
Energy: 0.379647306664093
Energy: 0.36776891038329923
Energy: 0.3553838373788366
Energy: 0.3671364435922106
Energy: 0.3553838373782304
Energy: 0.3719807150171662
Energy: 0.3806434198529732
Energy: 0.36883866178360775
Energy: 0.3806434198529732
Energy: 0.3769955156018313
Energy: 0.3638945937309966
Energy: 0.3965737082051912
Energy: 0.36389459373160277
Energy: 0.3740745336501694
Energy: 0.3791528918857402
Energy: 0.37052476742156604
Energy: 0.3791528918863464
Energy: 0.36577272214760786
Energy: 0.35550564255483474
Energy: 0.36684919025514356
Energy: 0.3555056425530164
Energy: 0.364012763791765
Energy: 0.38423476664233414
Energy: 0.3690843190600232
Energy: 0.38423476664172806

minimum gb energy = 0.35426643501729893 eV
minimum distance =  2.61164438178151 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.38748590353059426
Energy: 0.38907660924115445
Energy: 0.41463882082352643
Energy: 0.3890766092425367
Energy: 0.3916019638674874
Energy: 0.3843106641729748
Energy: 0.3760287733449122
Energy: 0.3843106641729748
Energy: 0.37634775277709315
Energy: 0.3909443797306367
Energy: 0.3820927208696367
Energy: 0.3909443797292545
Energy: 0.3620743415821785
Energy: 0.3737659570799795
Energy: 0.3774544160122387
Energy: 0.3737659570799795
Energy: 0.36224064499895803
Energy: 0.3837359327768227
Energy: 0.39734586829201674
Energy: 0.38373593277958706
Energy: 0.41354161343159135
Energy: 0.3758212390643782
Energy: 0.4003063183179592
Energy: 0.3758212390657603
Energy: 0.3628702338912939
Energy: 0.3850715977792924
Energy: 0.3762499629937494
Energy: 0.38507159778274797
Energy: 0.37454921850791245
Energy: 0.3927329085382153
Energy: 0.36872391829652523
Energy: 0.3927329085375242
Energy: 0.3674130992826571
Energy: 0.395880569153571
Energy: 0.3760520504825375
Energy: 0.39588056915080655
Energy: 0.3618323837306982
Energy: 0.3878588611762578
Energy: 0.4034592593225345
Energy: 0.3878588611741845
Energy: 0.3685164016251648
Energy: 0.3883599700582689
Energy: 0.3759175240276794
Energy: 0.3883599700555359
Energy: 0.37018700177858005
Energy: 0.38070373222950954
Energy: 0.3793732886967714
Energy: 0.38070373222332105
Energy: 0.381427978582737
Energy: 0.3877377569451232
Energy: 0.3693120415165022
Energy: 0.3877377569451232
Energy: 0.38153218542900436
Energy: 0.3876855684066435
Energy: 0.39569409186246407
Energy: 0.3876855684094079
Energy: 0.370167538566694
Energy: 0.3806558195689294
Energy: 0.38100270567363764
Energy: 0.380655819566165
Energy: 0.36844297237930124
Energy: 0.38835274798660624
Energy: 0.37590204490525025
Energy: 0.38835274798522407
Energy: 0.36183027360746295
Energy: 0.38823342548989487
Energy: 0.384528532327389
Energy: 0.38823342548920386
Energy: 0.3674911782726913
Energy: 0.3958763488981161
Energy: 0.3761263371833277
Energy: 0.39587634889880724
Energy: 0.37443499639558403
Energy: 0.39268129976684035
Energy: 0.36728958581192966
Energy: 0.39268129976891364
Energy: 0.36266508943965603
Energy: 0.38707500071471335
Energy: 0.3815191757223051
Energy: 0.3870750007181688
Energy: 0.4135474718402361
Energy: 0.37583207572710603
Energy: 0.3708375365648581
Energy: 0.37583207572917937
Energy: 0.3622252734780369
Energy: 0.3728775648882961
Energy: 0.36950737279994883
Energy: 0.3728775648896783
Energy: 0.3622058002820673
Energy: 0.3738409184614754
Energy: 0.37608655173242717
Energy: 0.3738409184587109
Energy: 0.37644029665378853
Energy: 0.39104314998564377
Energy: 0.382119447841503
Energy: 0.3910431499863348
Energy: 0.39160731367578033
Energy: 0.38499482210967656
Energy: 0.37602581261808504
Energy: 0.3849948221117499
Energy: 0.38748590353059426
Energy: 0.38907660924115445
Energy: 0.42118153117019025
Energy: 0.38907660924184556
Energy: 0.3916019638667963
Energy: 0.3843106641729748
Energy: 0.37602877334352997
Energy: 0.3843106641729748
Energy: 0.3763477527777842
Energy: 0.39094437973132784
Energy: 0.3820927208703278
Energy: 0.3909443797292545
Energy: 0.3620743415821785
Energy: 0.3737659570785973
Energy: 0.3821372449325827
Energy: 0.37376595708136173

minimum gb energy = 0.36183027360746295 eV
minimum distance =  2.57247105083037 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.4011703493566023
Energy: 0.39832419510019146
Energy: 0.4804311144734413
Energy: 0.39832419510099487
Energy: 0.3888925937337276
Energy: 0.4092286907971649
Energy: 0.38751365808072985
Energy: 0.4092286907979683
Energy: 0.38373384528531784
Energy: 0.4065970400839865
Energy: 0.38576851232791354
Energy: 0.4065970400839865
Energy: 0.38099013340876037
Energy: 0.3967139617661789
Energy: 0.3829028870447498
Energy: 0.3967139617661789
Energy: 0.38849574161993133
Energy: 0.39322408999102243
Energy: 0.3727562043879373
Energy: 0.3932240899902191
Energy: 0.4262001142236149
Energy: 0.4080478678352847
Energy: 0.4094863431988109
Energy: 0.40804786783608804
Energy: 0.37853875467955367
Energy: 0.4000634376543219
Energy: 0.3911941148175629
Energy: 0.40006343765512525
Energy: 0.44865815538627796
Energy: 0.3910480263459556
Energy: 0.38287458943028324
Energy: 0.3910480263459556
Energy: 0.39308712223319486
Energy: 0.3968957973247895
Energy: 0.3787713114782122
Energy: 0.3968957973247895
Energy: 0.38577075652363507
Energy: 0.4085329836385559
Energy: 0.40214435553741157
Energy: 0.40853298363935936
Energy: 0.3819548480492521
Energy: 0.3934113081306938
Energy: 0.371580262589229
Energy: 0.3934113081314972
Energy: 0.3833373673322009
Energy: 0.3995928088585111
Energy: 0.37167147455627936
Energy: 0.39959280885770765
Energy: 0.3860235159863315
Energy: 0.4064658584949266
Energy: 0.3834683087119763
Energy: 0.40646585849251643
Energy: 0.39741538240374896
Energy: 0.3737605112665077
Energy: 0.3757031338545206
Energy: 0.3737605112665077
Energy: 0.40693126195625257
Energy: 0.39236647200263763
Energy: 0.38219766856568627
Energy: 0.3923664720042444
Energy: 0.3835625677823711
Energy: 0.40107705324618526
Energy: 0.38483170098428393
Energy: 0.40107705324698867
Energy: 0.3790981111346559
Energy: 0.40670060813752307
Energy: 0.37747055501789184
Energy: 0.4067006081383265
Energy: 0.3832132531533309
Energy: 0.39440653495897526
Energy: 0.37461401229523855
Energy: 0.39440653495897526
Energy: 0.38073681872878007
Energy: 0.39715089223954864
Energy: 0.3844807737994165
Energy: 0.3971508922387452
Energy: 0.37284299143725874
Energy: 0.4062672016412571
Energy: 0.384192571177385
Energy: 0.4062672016412571
Energy: 0.386646101335574
Energy: 0.3949321092007892
Energy: 0.3858535537958693
Energy: 0.3949321091999858
Energy: 0.40108097814035143
Energy: 0.3984251908764937
Energy: 0.44814393053747786
Energy: 0.39842519087729705
Energy: 0.3764728242596945
Energy: 0.40169493853631505
Energy: 0.3897764741978815
Energy: 0.40169493853631505
Energy: 0.3866482176563677
Energy: 0.4076022009070881
Energy: 0.3858910886462158
Energy: 0.40760220090628463
Energy: 0.3721115118025843
Energy: 0.39865837168216867
Energy: 0.3809983995747335
Energy: 0.398658371682972

minimum gb energy = 0.371580262589229 eV
minimum distance =  2.61377100517605 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.38709989811542395
Energy: 0.3889701874094291
Energy: 0.48115449948771594
Energy: 0.3889701874084707
Energy: 0.39500890308534153
Energy: 0.39524589453750114
Energy: 0.37974763427976943
Energy: 0.3952458945365428
Energy: 0.4123737220613496
Energy: 0.3890871908870341
Energy: 0.38312935702591633
Energy: 0.3890871908870341
Energy: 0.38593350207765437
Energy: 0.4108226682426354
Energy: 0.3854253318736484
Energy: 0.4108226682426354
Energy: 0.43789550209305933
Energy: 0.3943062585776573
Energy: 0.3842112933010849
Energy: 0.3943062585786157
Energy: 0.37501471685307314
Energy: 0.39210103101578386
Energy: 0.3809211904990962
Energy: 0.3921010310177007
Energy: 0.3844253830505693
Energy: 0.4025751428189966
Energy: 0.3842481105806887
Energy: 0.4025751428180382
Energy: 0.44173385552176025
Energy: 0.3889402087368473
Energy: 0.3815907812729784
Energy: 0.38894020873493057
Energy: 0.38324399771435436
Energy: 0.3952539096520118
Energy: 0.38209729781367036
Energy: 0.39525390965105334
Energy: 0.38491017535115446
Energy: 0.3939134702032403
Energy: 0.3846070222106626
Energy: 0.3939134702032403
Energy: 0.3768835383147357
Energy: 0.3951460677968429
Energy: 0.38351132891916523
Energy: 0.3951460677968429
Energy: 0.38579190522864687
Energy: 0.389591867368513
Energy: 0.38525515354792433
Energy: 0.38959186736947127
Energy: 0.3745717278993467
Energy: 0.3874336934218038
Energy: 0.41151451038931564
Energy: 0.3874336934227621
Energy: 0.41261473964357853
Energy: 0.39597731306134587
Energy: 0.38012585411128386
Energy: 0.39597731306134587
Energy: 0.37467008532374696
Energy: 0.38761386817902443
Energy: 0.4415430295457349
Energy: 0.38761386817710763
Energy: 0.38601303128794806
Energy: 0.38952478889620745
Energy: 0.385404087615138
Energy: 0.3895247888981242
Energy: 0.3768833303548965
Energy: 0.39513688230958877
Energy: 0.38222241212469477
Energy: 0.3951368823105472
Energy: 0.3850978537998276
Energy: 0.3941836030727029
Energy: 0.38480800622881867
Energy: 0.3941836030727029
Energy: 0.38338754798824204
Energy: 0.3952132610410358
Energy: 0.38208967582885506
Energy: 0.395213261039119
Energy: 0.4417296032269398
Energy: 0.38878428589683817
Energy: 0.3816012871416608
Energy: 0.3887842858977965
Energy: 0.3843496724786795
Energy: 0.4026118777087697
Energy: 0.38422659495750666
Energy: 0.4026118777068529

minimum gb energy = 0.3745717278993467 eV
minimum distance =  2.6459671243578 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.3779182626715377
Energy: 0.4094291701398129
Energy: 0.5032475746459583
Energy: 0.4094291701409981
Energy: 0.3667020758232005
Energy: 0.4147450209131247
Energy: 0.36428359038992686
Energy: 0.4147450209143099
Energy: 0.3648489000400929
Energy: 0.4237346570506457
Energy: 0.3667958884974689
Energy: 0.4237346570506457
Energy: 0.37830089204660994
Energy: 0.4103257543869729
Energy: 0.4393573195876399
Energy: 0.4103257543881581
Energy: 0.43818623537695767
Energy: 0.40170263359179736
Energy: 0.36452564701656315
Energy: 0.40170263359179736
Energy: 0.3641619379941207
Energy: 0.4246481052506041
Energy: 0.36592450925244896
Energy: 0.4246481052506041
Energy: 0.38260383085148075
Energy: 0.3972864824891858
Energy: 0.36673152542865983
Energy: 0.39728648250696436
Energy: 0.4404852405449849
Energy: 0.4101744571218625
Energy: 0.3779089729577538
Energy: 0.4101744571218625
Energy: 0.36662891993970376
Energy: 0.39746436595838724
Energy: 0.3683699991301199
Energy: 0.39746436595838724
Energy: 0.45042037044364747
Energy: 0.4248600362670242
Energy: 0.3643036906658605
Energy: 0.4248600362670242
Energy: 0.36833281924389194
Energy: 0.41370040132791014
Energy: 0.5097303615721388
Energy: 0.41370040132791014
Energy: 0.3642333861981704
Energy: 0.40644143430981405
Energy: 0.44965698951141336
Energy: 0.40644143430981405
Energy: 0.445240108810082
Energy: 0.42554384400135953
Energy: 0.36504163375671544
Energy: 0.42554384400135953
Energy: 0.36396482247053474
Energy: 0.4135940073688977
Energy: 0.37853287905572786
Energy: 0.4135940073688977
Energy: 0.36420988077323274
Energy: 0.4126211888013558
Energy: 0.43825960622596133
Energy: 0.4126211888013558
Energy: 0.3696537963319365
Energy: 0.422127019536381
Energy: 0.36422878376512186
Energy: 0.422127019536381
Energy: 0.3668743488728386
Energy: 0.39540606536845074
Energy: 0.4492154002018892
Energy: 0.39540606536845074

minimum gb energy = 0.36396482247053474 eV
minimum distance =  2.64572371951124 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.4057071022199007
Energy: 0.4269358188313988
Energy: 0.5101066363728796
Energy: 0.4269358188313988
Energy: 0.4274519878414723
Energy: 0.39938665451354355
Energy: 0.3782055618206631
Energy: 0.39938665451354355
Energy: 0.43707509412625084
Energy: 0.4227886613724202
Energy: 0.37526397013978174
Energy: 0.42278866137309146
Energy: 0.3728757966201556
Energy: 0.4266979600031958
Energy: 0.4100991111216959
Energy: 0.4266979600031958
Energy: 0.4472878657472823
Energy: 0.4083107945618074
Energy: 0.3807097693753782
Energy: 0.4083107945618074
Energy: 0.37695271994711427
Energy: 0.38393531652552537
Energy: 0.4409529651623822
Energy: 0.38393531653156665
Energy: 0.3728604274964742
Energy: 0.4086390067358379
Energy: 0.37586478279669766
Energy: 0.40863900673650916
Energy: 0.4407694577097949
Energy: 0.4264335283650035
Energy: 0.3778413983656405
Energy: 0.42643352836366094
Energy: 0.3767628259671212
Energy: 0.42045521649734463
Energy: 0.4532815200328484
Energy: 0.4204552164980159
Energy: 0.4780110784323065
Energy: 0.4037988222517169
Energy: 0.37320563160819775
Energy: 0.40379882225104563
Energy: 0.3722081109687896
Energy: 0.4286749482885218
Energy: 0.43828827960817973
Energy: 0.4286749482885218
Energy: 0.3782290162608868
Energy: 0.40624346337611217
Energy: 0.3783845567475892
Energy: 0.40624346337611217
Energy: 0.42731678722343475
Energy: 0.40310132677617
Energy: 0.3765631168072628
Energy: 0.4031013267788551
Energy: 0.37309788754802853
Energy: 0.42601511331926184
Energy: 0.42813175181597224
Energy: 0.42601511331926184
Energy: 0.4133586137111278
Energy: 0.4097634885009269
Energy: 0.3789350440683762
Energy: 0.4097634885015982
Energy: 0.42743630104308217
Energy: 0.4265082898241981
Energy: 0.439944375439859
Energy: 0.4265082898235268
Energy: 0.37631596945050133
Energy: 0.41329130678622467
Energy: 0.4778976802958638
Energy: 0.41329130678622467
Energy: 0.4244545228884602
Energy: 0.40050004394194605
Energy: 0.3769042906926936
Energy: 0.40050004394530236
Energy: 0.38044817288689875
Energy: 0.414781429269136
Energy: 0.3971522512748906
Energy: 0.4147814292698073
Energy: 0.37798063800019166
Energy: 0.4274948424536289
Energy: 0.372143462307782
Energy: 0.4274948424536289
Energy: 0.40720679884324773
Energy: 0.42231637072736317
Energy: 0.4367355684863089
Energy: 0.4223163707280344
Energy: 0.37828179711394894
Energy: 0.4506544081227457
Energy: 0.4893264788367553
Energy: 0.4506544081227457
Energy: 0.43895779138926067
Energy: 0.4270124960140325
Energy: 0.3723790545567154
Energy: 0.4270124960133613
Energy: 0.3822905559089117
Energy: 0.4106520127221279
Energy: 0.42526442072058235
Energy: 0.41065201272414165
Energy: 0.3844480127525647
Energy: 0.42199276366788363
Energy: 0.4254605320057651
Energy: 0.4219927636685549
Energy: 0.45369296277858523
Energy: 0.433165719965305
Energy: 0.37256459222249055
Energy: 0.43316571996597625
Energy: 0.382843423368014
Energy: 0.4511023882831814
Energy: 0.500419437811835
Energy: 0.4511023882838527
Energy: 0.43131822134410935
Energy: 0.3852924914376923
Energy: 0.436765870026823
Energy: 0.38529249143500727
Energy: 0.41985147343887347
Energy: 0.42863232498211695
Energy: 0.37245661007588987
Energy: 0.42863232498278825
Energy: 0.3778888501823332
Energy: 0.4176435869525517
Energy: 0.42547076952109103
Energy: 0.4176435869525517

minimum gb energy = 0.372143462307782 eV
minimum distance =  2.57481867735367 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.3348686674825142
Energy: 0.33480428897715075
Energy: 0.49546173389042636
Energy: 0.3348042889786961
Energy: 0.4103809418268269
Energy: 0.3630423001194446
Energy: 0.39894942306391884
Energy: 0.36304230011789923
Energy: 0.33463273323667164
Energy: 0.3351862556504167
Energy: 0.4292508941262956
Energy: 0.33518625564887133
Energy: 0.3345300234887085
Energy: 0.33512555093327956
Energy: 0.40523417990851107
Energy: 0.33512555093327956
Energy: 0.41011396150701557
Energy: 0.3630373184788567
Energy: 0.40971645793627065
Energy: 0.363037318480402
Energy: 0.3348686674840596
Energy: 0.33480428897715075
Energy: 0.49546173389042636
Energy: 0.33480428897715075
Energy: 0.41038094185927937
Energy: 0.36304230011789923
Energy: 0.39526270053292034
Energy: 0.36304230011635386
Energy: 0.334632733238217
Energy: 0.3351862556504167
Energy: 0.42925089412784095
Energy: 0.33518625564732596
Energy: 0.3345300234887085
Energy: 0.33512555093327956
Energy: 0.40826567185411744
Energy: 0.33512555093327956
Energy: 0.41011396148538054
Energy: 0.3630373184788567
Energy: 0.40971645793627065
Energy: 0.363037318480402
Energy: 0.3348686674825142
Energy: 0.33480428897715075
Energy: 0.5183590539767261
Energy: 0.33480428897715075
Energy: 0.410380941836099
Energy: 0.36304230011789923
Energy: 0.408535182201878
Energy: 0.3630423001194446
Energy: 0.334632733238217
Energy: 0.33518625564732596
Energy: 0.42925089412784095
Energy: 0.33518625564732596

minimum gb energy = 0.3345300234887085 eV
minimum distance =  2.62820527318396 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.3921796269554362
Energy: 0.41777455000625685
Energy: 0.5634627286834966
Energy: 0.4177745500068288
Energy: 0.4613911473085732
Energy: 0.40846622698549473
Energy: 0.38394186214882836
Energy: 0.40846622698606666
Energy: 0.3863221943618171
Energy: 0.3893678030719703
Energy: 0.38349371753957895
Energy: 0.38936780307025437
Energy: 0.444005006042335
Energy: 0.41679269720034173
Energy: 0.38765588008094054
Energy: 0.41679269720205764
Energy: 0.45154759120919197
Energy: 0.4071105482222287
Energy: 0.38307860453869386
Energy: 0.4071105482210848
Energy: 0.38651158319973616
Energy: 0.3893905722949855
Energy: 0.45479906949093724
Energy: 0.3893905722967015
Energy: 0.5207127993885202
Energy: 0.4043180433743696
Energy: 0.38715390580670483
Energy: 0.40431804337494154
Energy: 0.3875309601730246
Energy: 0.41321939905163757
Energy: 0.447433126413633
Energy: 0.41321939905106564
Energy: 0.38692543066986285
Energy: 0.44188442240860804
Energy: 0.383977067619475
Energy: 0.44188442240860804
Energy: 0.38650057627678164
Energy: 0.4052151742397194
Energy: 0.3845465190413097
Energy: 0.4052151742391473
Energy: 0.38672057328297554
Energy: 0.4168349333560087
Energy: 0.5342583553383258
Energy: 0.4168349333560087
Energy: 0.45309343782374134
Energy: 0.44031870536594503
Energy: 0.385758557078905
Energy: 0.44031870536708895
Energy: 0.3858280613671251
Energy: 0.4112039183465953
Energy: 0.4865317029326593
Energy: 0.4112039183454514
Energy: 0.44512039211766513
Energy: 0.41194447170470294
Energy: 0.389990787512867
Energy: 0.4119444717052749
Energy: 0.3872676016989538
Energy: 0.41374795320788643
Energy: 0.4427527262713947
Energy: 0.4137479532061706
Energy: 0.3859250761033118
Energy: 0.4344251585654136
Energy: 0.4495800072856697
Energy: 0.43442515856484165
Energy: 0.4139773946732529
Energy: 0.41483776701345565
Energy: 0.3868773511569965
Energy: 0.4148377670128837
Energy: 0.38670669790410533
Energy: 0.404587881367269
Energy: 0.44407237608371497
Energy: 0.404587881367269
Energy: 0.4428718143001824
Energy: 0.4113279408539759
Energy: 0.3852723186562332
Energy: 0.4113279408545479
Energy: 0.38595105711858113
Energy: 0.41176976390013503
Energy: 0.4204271567009934
Energy: 0.411769763901279
Energy: 0.44705469111084395
Energy: 0.43435015100490587
Energy: 0.44418819470118565
Energy: 0.43435015100490587
Energy: 0.4182781567151338
Energy: 0.3897734676419734
Energy: 0.3861004018920116
Energy: 0.3897734676442612
Energy: 0.38378735567691924
Energy: 0.4112626204934385
Energy: 0.39029524991487075
Energy: 0.4112626204934385
Energy: 0.5360826724000153
Energy: 0.41723819187330513
Energy: 0.38746974904531384
Energy: 0.41723819187387706
Energy: 0.38703860734534545
Energy: 0.4666706670835467
Energy: 0.49109358855527363
Energy: 0.4666706670846907
Energy: 0.42025023350675905
Energy: 0.38863020879592963
Energy: 0.3865502135882415
Energy: 0.3886302087947857
Energy: 0.41647907029513775
Energy: 0.4142845037917562
Energy: 0.4447544480694944
Energy: 0.4142845037917562
Energy: 0.38918129023150433
Energy: 0.4199731764359974
Energy: 0.4435318838337595
Energy: 0.4199731764365694
Energy: 0.4165219984293981
Energy: 0.38857571386249196
Energy: 0.3866180587202391
Energy: 0.3885757138590602
Energy: 0.3840337904348443
Energy: 0.4656822986479585
Energy: 0.49323367227570897
Energy: 0.4656822986479585
Energy: 0.5198390602906809
Energy: 0.4167028709385505
Energy: 0.3874309795948727
Energy: 0.4167028709374066
Energy: 0.3836356208929343
Energy: 0.4053440746813221
Energy: 0.3876320843237663
Energy: 0.40534407468189404
Energy: 0.38382906599137284
Energy: 0.39038801342238577
Energy: 0.3865532601617918
Energy: 0.3903880134241017
Energy: 0.44956673114750306
Energy: 0.43388808174695004
Energy: 0.4439944706208535
Energy: 0.43388808174695004
Energy: 0.38644610432259874
Energy: 0.4562891579100069
Energy: 0.5155196268166
Energy: 0.4562891579100069

minimum gb energy = 0.38307860453869386 eV
minimum distance =  2.6036216430613 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.4232188386331293
Energy: 0.39652904039604786
Energy: 0.5212315753501591
Energy: 0.3965290403933255
Energy: 0.4243099421928144
Energy: 0.41023149946076504
Energy: 0.3855348462854534
Energy: 0.4102314994598576
Energy: 0.39052330633410925
Energy: 0.4067880813537225
Energy: 0.38659455921709707
Energy: 0.40678808135644484
Energy: 0.38848442820116086
Energy: 0.41531462724297397
Energy: 0.39357639187517807
Energy: 0.4153146272438814
Energy: 0.41712950807390725
Energy: 0.4148414975479081
Energy: 0.38683849125070746
Energy: 0.4148414975479081
Energy: 0.39469407866464196
Energy: 0.39988934810437254
Energy: 0.491921631247639
Energy: 0.39988934810437254
Energy: 0.5108679842509872
Energy: 0.4117050893681746
Energy: 0.3903853690965661
Energy: 0.4117050893672672
Energy: 0.3884949902777903
Energy: 0.3886518936365347
Energy: 0.4815394508873214
Energy: 0.3886518936365347
Energy: 0.507179429344932
Energy: 0.3955458659274456
Energy: 0.3854184919036556
Energy: 0.3955458659283531
Energy: 0.39016739247104837
Energy: 0.40450815705915383
Energy: 0.38860859287790084
Energy: 0.40450815705915383
Energy: 0.3884297250230738
Energy: 0.3956009560567301
Energy: 0.4777220570795931
Energy: 0.39560095605763756
Energy: 0.44235574991926185
Energy: 0.40503233531022287
Energy: 0.38843091626406157
Energy: 0.40503233530931537
Energy: 0.39412999587303954
Energy: 0.40098048742041176
Energy: 0.45975583914546414
Energy: 0.40098048742041176
Energy: 0.5143124251473004
Energy: 0.4093676970103368
Energy: 0.39509082706429577
Energy: 0.4093676970103368
Energy: 0.38810298203216204
Energy: 0.42167750035853063
Energy: 0.4702149758265068
Energy: 0.42167750035853063
Energy: 0.4772780699644956
Energy: 0.39344772484727547
Energy: 0.389223635812199
Energy: 0.39344772484818297
Energy: 0.41912840920195077
Energy: 0.4145492548184478
Energy: 0.3918976866623712
Energy: 0.41454925481663285
Energy: 0.4188295327169735
Energy: 0.4147457171340313
Energy: 0.39082428030924204
Energy: 0.4147457171340313
Energy: 0.44465381407056853
Energy: 0.38817642574678773
Energy: 0.3897526210242559
Energy: 0.38817642574678773
Energy: 0.38665045212324106
Energy: 0.4176703584998729
Energy: 0.5084060889174783
Energy: 0.4176703585016878
Energy: 0.511184796210542
Energy: 0.40013014317022216
Energy: 0.39575382758127975
Energy: 0.40013014317022216
Energy: 0.3938958520245943
Energy: 0.40980007689757986
Energy: 0.4451045333194327
Energy: 0.40980007689848735

minimum gb energy = 0.3854184919036556 eV
minimum distance =  2.59659181750619 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.4096256674399892
Energy: 0.4192757939279537
Energy: 0.5645463960231992
Energy: 0.4192757939337288
Energy: 0.5062725316036861
Energy: 0.4099272947499618
Energy: 0.39433927536170227
Energy: 0.40992729474675343
Energy: 0.39361085726058115
Energy: 0.4184132229350259
Energy: 0.40513829018672604
Energy: 0.41841322293759264
Energy: 0.41881005765203594
Energy: 0.4198721804552695
Energy: 0.39815816732233955
Energy: 0.4198721804559111
Energy: 0.39403180340625193
Energy: 0.416620825195232
Energy: 0.4090501513277415
Energy: 0.41662082519651533
Energy: 0.3934022965928051
Energy: 0.41890974570953066
Energy: 0.5023504917681809
Energy: 0.41890974571081396
Energy: 0.45661286378081145
Energy: 0.4309179396799078
Energy: 0.4094894015841206
Energy: 0.4309179396786244
Energy: 0.3934677141216911
Energy: 0.4239706705565423
Energy: 0.5316186508142935
Energy: 0.4239706705577965
Energy: 0.47755719506447
Energy: 0.4232000526554548
Energy: 0.3964229043903056
Energy: 0.4232000526580216
Energy: 0.393952057773578
Energy: 0.4207780553046448
Energy: 0.44706258266137394
Energy: 0.4207780553020781
Energy: 0.41951763864479075
Energy: 0.4142850939797635
Energy: 0.4131753235464842
Energy: 0.4142850939823302
Energy: 0.412125050936111
Energy: 0.4147213290984947
Energy: 0.41517741775994965
Energy: 0.414721329101703
Energy: 0.40872099473037565
Energy: 0.41465967304499235
Energy: 0.4210537095475208
Energy: 0.41465967304691737
Energy: 0.4079940681476106
Energy: 0.4158033224475595
Energy: 0.41311690781444044
Energy: 0.4158033224462762
Energy: 0.39132900474807264
Energy: 0.4161102199791116
Energy: 0.45755934329199754
Energy: 0.41611021998296166
Energy: 0.5658097384691315
Energy: 0.41777994874470925
Energy: 0.3968019552622791
Energy: 0.41777994874663427
Energy: 0.3948796585736968
Energy: 0.4071416714626812
Energy: 0.4299398464991834
Energy: 0.40714167146588953
Energy: 0.4012534497640612
Energy: 0.439044597355124
Energy: 0.4129349623035848
Energy: 0.4390445973557657
Energy: 0.39519256580278184
Energy: 0.4064409807713112
Energy: 0.41377340063730117
Energy: 0.4064409807668486
Energy: 0.3916748479611256
Energy: 0.4253015920466044
Energy: 0.41200326923364605
Energy: 0.42530159204917106
Energy: 0.42420736807113013
Energy: 0.41455590678795073
Energy: 0.3965362009654926
Energy: 0.4145559067828174
Energy: 0.39331616039985595
Energy: 0.4182561004027621
Energy: 0.45114785331090057
Energy: 0.41825610040147876
Energy: 0.5019854993513069
Energy: 0.42465681967211005
Energy: 0.40385703933197314
Energy: 0.42465681967788504
Energy: 0.4088452865109131
Energy: 0.41979063758489205
Energy: 0.5090979962803017
Energy: 0.4197906375829671
Energy: 0.4116814084374653
Energy: 0.4244573967063489
Energy: 0.4112147794085399
Energy: 0.42445739670378224
Energy: 0.416769716490036
Energy: 0.4061192180481151
Energy: 0.41539382717588436
Energy: 0.4061192180455484
Energy: 0.39463977113991905
Energy: 0.4220428866847909
Energy: 0.4012357981203759
Energy: 0.4220428866918201
Energy: 0.41918369985521725
Energy: 0.4071758721771527
Energy: 0.39822821523144003
Energy: 0.407175872176511
Energy: 0.394397549969873
Energy: 0.4197099332713788
Energy: 0.471565794069347
Energy: 0.4197099332752288
Energy: 0.4146970775550242
Energy: 0.42477130292000487
Energy: 0.39500985800033844
Energy: 0.4247713029174382
Energy: 0.39439453441274447
Energy: 0.41975781873737694
Energy: 0.49809979393610454
Energy: 0.41975781868732626

minimum gb energy = 0.39132900474807264 eV
minimum distance =  2.58507233206858 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.394687277925148
Energy: 0.39149435780536723
Energy: 0.40454346738840624
Energy: 0.39149435780536723
Energy: 0.4007499693772992
Energy: 0.37348189542018245
Energy: 0.39520943923821833
Energy: 0.3734818954230136
Energy: 0.4040505782753853
Energy: 0.3781201800405416
Energy: 0.4288269521693824
Energy: 0.3781201800403429
Energy: 0.39708222811640664
Energy: 0.3711823227582597
Energy: 0.3972351656824201
Energy: 0.3711823227567199
Energy: 0.39370626449892127
Energy: 0.37056809725962025
Energy: 0.4288219387616503
Energy: 0.3705680972598438
Energy: 0.40680011546109074
Energy: 0.39252717725600605
Energy: 0.4067033301112568
Energy: 0.3925271772553604
Energy: 0.38181047632723303
Energy: 0.37051802895863944
Energy: 0.3936467448899737
Energy: 0.370518028958863
Energy: 0.3970502682098021
Energy: 0.3711145839216091
Energy: 0.39722137615745395
Energy: 0.3711145839211869
Energy: 0.42889206301378
Energy: 0.378102175389675
Energy: 0.40402895437767056
Energy: 0.378102175389675

minimum gb energy = 0.37051802895863944 eV
minimum distance =  2.6755511719192 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.40201015751086105
Energy: 0.42677168133719134
Energy: 0.485646066387879
Energy: 0.4267716813365852
Energy: 0.3954103301247734
Energy: 0.4255335340721054
Energy: 0.3753439138037375
Energy: 0.4255335340721054
Energy: 0.3804069390209383
Energy: 0.43108974261254
Energy: 0.4580548833720542
Energy: 0.4310897426113277
Energy: 0.3983239934314718
Energy: 0.42281929522160944
Energy: 0.389240481754639
Energy: 0.42281929522403394
Energy: 0.3841609338890288
Energy: 0.4229878898283141
Energy: 0.4662368234184839
Energy: 0.4229878898252834
Energy: 0.41115060994126346
Energy: 0.429262200065043
Energy: 0.3853088383303699
Energy: 0.429262200065043
Energy: 0.3907045675988143
Energy: 0.426289374081984
Energy: 0.39660932741477917
Energy: 0.4262893740831962
Energy: 0.38771777688872466
Energy: 0.42259657722909
Energy: 0.3816879302250874
Energy: 0.4225965772321207
Energy: 0.39492970013967166
Energy: 0.4228035050261971
Energy: 0.40075698404837024
Energy: 0.4228035050231665
Energy: 0.39209503002163837
Energy: 0.42660087692042753
Energy: 0.39999668444956804
Energy: 0.42660087692042753
Energy: 0.3811482559960751
Energy: 0.4040538471142001
Energy: 0.3827850863907998
Energy: 0.4040538471142001
Energy: 0.3816066851163703
Energy: 0.44144195018353727
Energy: 0.4501483322160806
Energy: 0.44144195018232507
Energy: 0.4320370696669837
Energy: 0.4240611772354574
Energy: 0.4090928216633411
Energy: 0.42406117723606357
Energy: 0.3844607943419359
Energy: 0.42544575620985725
Energy: 0.4121930431992484
Energy: 0.42544575621410025
Energy: 0.4270562313560974
Energy: 0.4187631737252079
Energy: 0.38276997905119253
Energy: 0.4187631737264202
Energy: 0.392501906683679
Energy: 0.42385094095387865
Energy: 0.44079015590176973
Energy: 0.4238509409556971
Energy: 0.45570836140198206
Energy: 0.42515705262528575
Energy: 0.3759939273095455
Energy: 0.4251570526246796
Energy: 0.3868901395959638
Energy: 0.4291775984899964
Energy: 0.44676446376540446
Energy: 0.42917759849120873
Energy: 0.39322737448796724
Energy: 0.42653779382579343
Energy: 0.38600075879138224
Energy: 0.4265377938245811
Energy: 0.38256033890604496
Energy: 0.4082261183351736
Energy: 0.411046496595601
Energy: 0.4082261183212324
Energy: 0.3827223652860666
Energy: 0.4205846125862803
Energy: 0.3900116925983274
Energy: 0.4205846125832497
Energy: 0.3872142105091936
Energy: 0.42389894345028856
Energy: 0.39626146526052414
Energy: 0.42389894345331924
Energy: 0.37637492483359725
Energy: 0.4250497680986229
Energy: 0.3788646857781888
Energy: 0.4250497680980167
Energy: 0.45346747706977236
Energy: 0.4268251897065722
Energy: 0.3842775624043347
Energy: 0.42682518970839056
Energy: 0.4484801987700877
Energy: 0.42651941391834014
Energy: 0.38379767261216197
Energy: 0.42651941391712794
Energy: 0.401451942302545
Energy: 0.4324259061646402
Energy: 0.3831133696700672
Energy: 0.43242590616221566
Energy: 0.376667375023183
Energy: 0.4175406086026444
Energy: 0.4335112045446075
Energy: 0.4175406086044628
Energy: 0.42926089470946194
Energy: 0.4259524174603573
Energy: 0.39126471364428034
Energy: 0.42595241746156953
Energy: 0.3825201728065137
Energy: 0.45643245542573246
Energy: 0.41040017389295164
Energy: 0.45643245542452016
Energy: 0.41960222185802937
Energy: 0.42395903984300337
Energy: 0.38649418659491397
Energy: 0.4239590398448218
Energy: 0.37806655323983596
Energy: 0.4221238829258965
Energy: 0.44779113315046276
Energy: 0.4221238829258965
Energy: 0.4636824150911694
Energy: 0.46199879888463846
Energy: 0.38169822875273657
Energy: 0.4619987988834262
Energy: 0.39282050376350297
Energy: 0.42453608939595466
Energy: 0.38109655676515675
Energy: 0.4245360893953485

minimum gb energy = 0.3753439138037375 eV
minimum distance =  2.638879544521 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.39290277190246437
Energy: 0.4128684563935161
Energy: 0.4778418408308883
Energy: 0.41286845639435427
Energy: 0.3905519015639749
Energy: 0.41209845062443123
Energy: 0.3557314853584324
Energy: 0.41209845062443123
Energy: 0.35920233277788716
Energy: 0.41313677561093315
Energy: 0.4364211558298906
Energy: 0.41313677561260936
Energy: 0.3741770539138833
Energy: 0.35557763434630524
Energy: 0.3544935945599082
Energy: 0.35557763434881956
Energy: 0.35704592497091137
Energy: 0.383427962541335
Energy: 0.3780445871136917
Energy: 0.3834279625404968
Energy: 0.3561311089982503
Energy: 0.42248552501295217
Energy: 0.3544618729026007
Energy: 0.42248552501127595
Energy: 0.3572563303045842
Energy: 0.41538884688541716
Energy: 0.3722648523855756
Energy: 0.41538884688625527
Energy: 0.3569109205924826
Energy: 0.41352033659247
Energy: 0.40205765130455057
Energy: 0.41352033659247
Energy: 0.39349274743767665
Energy: 0.39809226040502116
Energy: 0.37659988358744856
Energy: 0.3980922604066973
Energy: 0.3934562831886556
Energy: 0.3980445483951711
Energy: 0.3916488248800434
Energy: 0.3980445483951711
Energy: 0.3567982480602224
Energy: 0.41375582502899255
Energy: 0.3775892899763947
Energy: 0.4137558250281545
Energy: 0.35720208534947007
Energy: 0.415338850575269
Energy: 0.3956157959636228
Energy: 0.41533885057610703
Energy: 0.356178110782303
Energy: 0.42235930209200384
Energy: 0.3545652820166658
Energy: 0.4223593020928419
Energy: 0.357172773286328
Energy: 0.38361237487505806
Energy: 0.44215554826118864
Energy: 0.38361237487422
Energy: 0.3742715113591096
Energy: 0.3555904781565944
Energy: 0.3544675031157337
Energy: 0.35559047815910866
Energy: 0.35919270253717706
Energy: 0.41292374837401247
Energy: 0.4197715745297273
Energy: 0.41292374837401247
Energy: 0.38589866295856634
Energy: 0.4118321891260252
Energy: 0.3552386082950964
Energy: 0.4118321891293775
Energy: 0.39290277190162637
Energy: 0.4128684563935161
Energy: 0.4886059439158098
Energy: 0.41286845639435427
Energy: 0.3905519015346609
Energy: 0.4120984506261074
Energy: 0.3557314853575943
Energy: 0.4120984506252693
Energy: 0.35920233277788716
Energy: 0.4131367756117713
Energy: 0.502960736259687
Energy: 0.41313677561260936
Energy: 0.3741770539716732
Energy: 0.3555776343471434
Energy: 0.3544935945607462
Energy: 0.35557763434881956
Energy: 0.35704592497174953
Energy: 0.3834279625404968
Energy: 0.3656799892401785
Energy: 0.3834279625404968
Energy: 0.3561311089974122
Energy: 0.4224855250146284
Energy: 0.3544618729026007
Energy: 0.4224855250121141
Energy: 0.3572563303037461
Energy: 0.41538884688541716
Energy: 0.37226485237970897
Energy: 0.41538884688541716

minimum gb energy = 0.3544618729026007 eV
minimum distance =  2.65273836341222 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.39650350151436675
Energy: 0.42618215869657405
Energy: 0.47694429537964983
Energy: 0.42618215869761006
Energy: 0.4541323350922305
Energy: 0.41710104236786916
Energy: 0.3715639385102152
Energy: 0.41710104236890516
Energy: 0.37075339808713087
Energy: 0.422426414397524
Energy: 0.46010141414546873
Energy: 0.42242641439700596
Energy: 0.40371193814209666
Energy: 0.39915530054180604
Energy: 0.3669440603980676
Energy: 0.39915530054180604
Energy: 0.3699895817040551
Energy: 0.42314925287683
Energy: 0.3921874425021227
Energy: 0.423149252876312
Energy: 0.3713310783017812
Energy: 0.42438506848346036
Energy: 0.37306954455263297
Energy: 0.4243850684844963
Energy: 0.3729895943632659
Energy: 0.4219734483106369
Energy: 0.4111167255744053
Energy: 0.42197344830908284
Energy: 0.36795592568892316
Energy: 0.40424080032267173
Energy: 0.3735902668789645
Energy: 0.40424080032267173
Energy: 0.39986002605280274
Energy: 0.4083411066709555
Energy: 0.39281574563608296
Energy: 0.40834110667043744
Energy: 0.40187150320020665
Energy: 0.4243955883217873
Energy: 0.3727266283811637
Energy: 0.4243955883212692
Energy: 0.37022746696124736
Energy: 0.41570984977322684
Energy: 0.3755938870573118
Energy: 0.41570984977270886
Energy: 0.37176071689708395
Energy: 0.4066711098496139
Energy: 0.37540814775609965
Energy: 0.40667110985064997
Energy: 0.3699773933974233
Energy: 0.3931124416250303
Energy: 0.36631352960668573
Energy: 0.3931124416306813
Energy: 0.3734117335038631
Energy: 0.43263713975079965
Energy: 0.408116499024357
Energy: 0.4326371397502816
Energy: 0.37422364644008527
Energy: 0.42190941174618557
Energy: 0.399672011555222
Energy: 0.4219094117472215
Energy: 0.3705314964078904
Energy: 0.4155338466366611
Energy: 0.385684680528515
Energy: 0.41553384663510706
Energy: 0.38933345733519087
Energy: 0.40225235232532897
Energy: 0.3701934306727526
Energy: 0.40225235232740103
Energy: 0.3684291735956494
Energy: 0.42737421692825556
Energy: 0.45473135340850396
Energy: 0.4273742169277376
Energy: 0.43704050380099385
Energy: 0.40284281979414127
Energy: 0.373075291670633
Energy: 0.40284281979362324
Energy: 0.3732074956554997
Energy: 0.4221298034605252
Energy: 0.4156878792488764
Energy: 0.4221298034610432
Energy: 0.38081771157656774
Energy: 0.4223665107347809
Energy: 0.3676929315829008
Energy: 0.4223665107342629
Energy: 0.3680785976141546
Energy: 0.42590823597065425
Energy: 0.4303526751116413
Energy: 0.42590823596961824
Energy: 0.39216341609806404
Energy: 0.40597342985850227
Energy: 0.37352269274734223
Energy: 0.40597342985902024
Energy: 0.370838363788308
Energy: 0.4262898913226072
Energy: 0.44645801764559806
Energy: 0.4262898913246792
Energy: 0.39717768429934863
Energy: 0.42819677231922576
Energy: 0.3685575507436017
Energy: 0.4281967723171537
Energy: 0.37111790268326783
Energy: 0.4286551888617274
Energy: 0.3847699398052025
Energy: 0.42865518886069137
Energy: 0.43211837778531864
Energy: 0.42520951769505216
Energy: 0.37315040118839804
Energy: 0.4252095176960881
Energy: 0.4017818544367071
Energy: 0.42201057452632945
Energy: 0.3723536112113756
Energy: 0.4220105745268475
Energy: 0.4061732582246599
Energy: 0.43259166189647097
Energy: 0.3762496173508048
Energy: 0.43259166189802495
Energy: 0.37131282694058754
Energy: 0.41935843382306903
Energy: 0.39326431164143016
Energy: 0.41935843382306903
Energy: 0.37740869767336716
Energy: 0.4275299193277114
Energy: 0.37805910823101185
Energy: 0.4275299193261574
Energy: 0.3662201924592448
Energy: 0.41519176855551687
Energy: 0.368100873920468
Energy: 0.41519176855396284
Energy: 0.37184029225231047
Energy: 0.4253823741428598
Energy: 0.44866045134897814
Energy: 0.4253823741428598
Energy: 0.40472073936712166
Energy: 0.40801646057164326
Energy: 0.3728407329361191
Energy: 0.4080164605731973
Energy: 0.3733303936967291
Energy: 0.4266387362197411
Energy: 0.39170607341962316
Energy: 0.4266387362197411
Energy: 0.4074616029595538
Energy: 0.42268065022807005
Energy: 0.3718043306474362
Energy: 0.42268065022910606
Energy: 0.3733090093635574
Energy: 0.42436401452813177
Energy: 0.37319469453014503
Energy: 0.4243640145286498
Energy: 0.3854317888303031
Energy: 0.4245638456795096
Energy: 0.3678753083352495
Energy: 0.42456384567847366

minimum gb energy = 0.3662201924592448 eV
minimum distance =  2.59223478718828 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.43371145632303104
Energy: 0.38961976208403687
Energy: 0.4373056933754233
Energy: 0.38961976208539223
Energy: 0.4326179937416998
Energy: 0.35497863695779475
Energy: 0.34564346399521395
Energy: 0.35497863695779475
Energy: 0.3583800556253512
Energy: 0.41367097748817183
Energy: 0.5019845360907402
Energy: 0.41367097748817183
Energy: 0.39341459472509077
Energy: 0.3920998317081493
Energy: 0.36074211535905787
Energy: 0.3920998317081493
Energy: 0.344628656329666
Energy: 0.34524007743005
Energy: 0.3869310993298847
Energy: 0.34524007738128754
Energy: 0.34457164186738254
Energy: 0.37205298348129856
Energy: 0.34581741217092665
Energy: 0.37205298348129856
Energy: 0.35467152801145474
Energy: 0.40623064912148854
Energy: 0.34996260365062876
Energy: 0.40623064912148854
Energy: 0.36243560207800624
Energy: 0.4003147991776018
Energy: 0.3605022263525028
Energy: 0.4003147991776018
Energy: 0.3552139487317047
Energy: 0.38573273565177996
Energy: 0.3966802850510418
Energy: 0.3857327356531353
Energy: 0.3706054446196455
Energy: 0.3443429317628463
Energy: 0.3451551916514685
Energy: 0.3443429317628463
Energy: 0.42432680558047114
Energy: 0.3962706621661795
Energy: 0.35607340275734034
Energy: 0.3962706621661795
Energy: 0.42634478251181934
Energy: 0.37287195003522805
Energy: 0.349331060408743
Energy: 0.37287195002845125
Energy: 0.3548634931641341
Energy: 0.37436477016768627
Energy: 0.359813707628898
Energy: 0.3743647701663309
Energy: 0.35762791334608685
Energy: 0.3870791426283744
Energy: 0.3571295972895077
Energy: 0.3870791426283744
Energy: 0.34787088554538437
Energy: 0.34421445072251394
Energy: 0.35460539075293857
Energy: 0.34421445072251394

minimum gb energy = 0.34421445072251394 eV
minimum distance =  2.60156102533193 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.3583428022197123
Energy: 0.40156105872924436
Energy: 0.44285346076160564
Energy: 0.40156105872469966
Energy: 0.39769764023868653
Energy: 0.4059347647949318
Energy: 0.34210827936966304
Energy: 0.40593476479038715
Energy: 0.34160503918130125
Energy: 0.40176716447752814
Energy: 0.49783058270214786
Energy: 0.40176716447809624
Energy: 0.3468128753970064
Energy: 0.40997498729355664
Energy: 0.3392277197635717
Energy: 0.4099749872924205
Energy: 0.34139533685609363
Energy: 0.40334151370743143
Energy: 0.34991321871832565
Energy: 0.4033415137057272
Energy: 0.346908686479513
Energy: 0.3865208902499765
Energy: 0.3510229640872077
Energy: 0.38652089024543185
Energy: 0.34171819195625586
Energy: 0.3805768947369946
Energy: 0.3868178610179156
Energy: 0.38057689474097117
Energy: 0.3474166929508721
Energy: 0.4099310819711713
Energy: 0.35106322773423226
Energy: 0.4099310819723075
Energy: 0.3448432745941719
Energy: 0.4034202861608069
Energy: 0.4259451727639801
Energy: 0.40342028615626224
Energy: 0.40916485495491606
Energy: 0.41013777581878785
Energy: 0.33956504402962595
Energy: 0.4101377758227644
Energy: 0.34107325382231796
Energy: 0.3927963270948487
Energy: 0.3512156484596166
Energy: 0.3927963270948487
Energy: 0.36338445239157224
Energy: 0.40627596033100877
Energy: 0.33943890976247376
Energy: 0.4062759603383939
Energy: 0.3641892514802842
Energy: 0.40164338975279634
Energy: 0.35043696599779445
Energy: 0.4016433897476836
Energy: 0.44763084356569705
Energy: 0.40698356771976246
Energy: 0.3392863899774696
Energy: 0.40698356772260286
Energy: 0.34111207575488867
Energy: 0.37667465837890174
Energy: 0.34995055481291704
Energy: 0.3766746583800379
Energy: 0.3536976885382961
Energy: 0.3931306580677081
Energy: 0.3412137018315082
Energy: 0.39313065806486774
Energy: 0.3475310903313542
Energy: 0.3971409236219463
Energy: 0.3415971457316637
Energy: 0.39714092362705916
Energy: 0.35548760819125597
Energy: 0.4011956275425879
Energy: 0.35731263560344767
Energy: 0.4011956275420198
Energy: 0.35792694420070187
Energy: 0.40164247898246
Energy: 0.35751035525777825
Energy: 0.4016424789813238
Energy: 0.3578009863682867
Energy: 0.40163522924292794
Energy: 0.3574268031944148
Energy: 0.40163522924349604
Energy: 0.3555206370991886
Energy: 0.40134313924948073
Energy: 0.3570070217426526
Energy: 0.4013431392483446
Energy: 0.3475132907328867
Energy: 0.39699895306326327
Energy: 0.34147916900407
Energy: 0.3969989530609909
Energy: 0.35371347490140215
Energy: 0.39318307332097896
Energy: 0.3412005093916781
Energy: 0.39318307332325125
Energy: 0.34121810662651025
Energy: 0.3769100374837312
Energy: 0.3454027754716958
Energy: 0.37691003748202695
Energy: 0.4477021233685524
Energy: 0.4070467271568393
Energy: 0.33914168992937826
Energy: 0.40704672715513507
Energy: 0.3641849726141617
Energy: 0.40178650314596914
Energy: 0.34491121315456863
Energy: 0.40178650313972014
Energy: 0.36338438005875195
Energy: 0.40622979473934534
Energy: 0.3395008943693504
Energy: 0.4062297947387773
Energy: 0.34118928419279915
Energy: 0.39214051623906243
Energy: 0.352089466464036
Energy: 0.39214051623849433
Energy: 0.4092837819672139
Energy: 0.41007021530038396
Energy: 0.33923735103423625
Energy: 0.41007021529643317
Energy: 0.34483015405846457
Energy: 0.40343271340273407
Energy: 0.4051580896107308
Energy: 0.40343271340216597
Energy: 0.34734862101103153
Energy: 0.40992429052666807
Energy: 0.35112400590023046
Energy: 0.40992429053007656
Energy: 0.34143359206200713
Energy: 0.3806418352282281
Energy: 0.4493024067170824
Energy: 0.38064183522709194
Energy: 0.35606786399800533
Energy: 0.3864463028658693
Energy: 0.3510281155425429
Energy: 0.3864463028698459
Energy: 0.3415920836947192
Energy: 0.40336011968242613
Energy: 0.413239147941237
Energy: 0.40336011967844954
Energy: 0.346780393786216
Energy: 0.4099914586350984
Energy: 0.3393666579615944
Energy: 0.4099914586368027

minimum gb energy = 0.33914168992937826 eV
minimum distance =  2.65170866936169 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.32620131625907955
Energy: 0.32659989734155936
Energy: 0.4240383548773389
Energy: 0.32659989734155936
Energy: 0.3253715823705705
Energy: 0.327170469775382
Energy: 0.320969675266673
Energy: 0.32717046977049513
Energy: 0.31937896631311136
Energy: 0.3729927523415609
Energy: 0.41561109618037095
Energy: 0.3729927523376514
Energy: 0.3147053404052027
Energy: 0.37737364943518964
Energy: 0.3211512843303068
Energy: 0.37737364943518964
Energy: 0.3182053897179035
Energy: 0.3273125746899932
Energy: 0.3166514620750193
Energy: 0.3273125746939027
Energy: 0.31912705548770093
Energy: 0.32750209699696453
Energy: 0.3156084762627779
Energy: 0.3275020969959872
Energy: 0.3202967697039176
Energy: 0.3964342761596646
Energy: 0.32544472350347986
Energy: 0.3964342761596646
Energy: 0.3152184150220873
Energy: 0.32623659769480035
Energy: 0.32739960841199967
Energy: 0.32623659769480035
Energy: 0.31825617657695493
Energy: 0.3274134822341405
Energy: 0.3718757067077186
Energy: 0.32741348223511785
Energy: 0.4217510370423894
Energy: 0.3727062330383134
Energy: 0.3155480705786991
Energy: 0.3727062330383134
Energy: 0.31959356603511535
Energy: 0.39279965739045253
Energy: 0.3150998601809106
Energy: 0.39279965739045253
Energy: 0.4215916254641591
Energy: 0.32741867904886146
Energy: 0.3214765562790291
Energy: 0.32741867904886146
Energy: 0.3176421059611665
Energy: 0.32673584522913096
Energy: 0.3287831294145403
Energy: 0.3267358452310857
Energy: 0.32639899966206753
Energy: 0.3416944338624004
Energy: 0.3150520221372895
Energy: 0.3416944338633778
Energy: 0.32635818727397486
Energy: 0.3414366422876491
Energy: 0.31464201847480844
Energy: 0.3414366422876491
Energy: 0.33262929865356333
Energy: 0.32740407856277576
Energy: 0.31847676815239434
Energy: 0.32740407856375314
Energy: 0.3179743022238538
Energy: 0.3779102036620095
Energy: 0.33166428979511653
Energy: 0.37791020366298683
Energy: 0.3218170595100038
Energy: 0.39298067553547744
Energy: 0.3148570304415103
Energy: 0.39298067553547744
Energy: 0.3155354632873224
Energy: 0.32770404061982256
Energy: 0.31660919538206644
Energy: 0.32770404061884517
Energy: 0.3148140182453977
Energy: 0.32687557815850354
Energy: 0.3207020692656603
Energy: 0.32687557815850354

minimum gb energy = 0.31464201847480844 eV
minimum distance =  2.61474071492444 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.3134177057554939
Energy: 0.35965926936258924
Energy: 0.4763008277953778
Energy: 0.35965926936258924
Energy: 0.37434794065698623
Energy: 0.3638674717610995
Energy: 0.30107164720178364
Energy: 0.3638674717603363
Energy: 0.29716644340059906
Energy: 0.29833679730992835
Energy: 0.3746067365506285
Energy: 0.2983367973091652
Energy: 0.30541913722086766
Energy: 0.36246804054665577
Energy: 0.30093891561034747
Energy: 0.36246804054665577
Energy: 0.3001603322713481
Energy: 0.3628530286208534
Energy: 0.39378078912431436
Energy: 0.3628530286208534
Energy: 0.2980584112013048
Energy: 0.36280189453017975
Energy: 0.3012945005633571
Energy: 0.36280189453094297
Energy: 0.30166992053115876
Energy: 0.33406867115775774
Energy: 0.30513549925282357
Energy: 0.33406867115852096
Energy: 0.2963051147519875
Energy: 0.34859627841021507
Energy: 0.2980523432099038
Energy: 0.34859627841097823
Energy: 0.3001762986338897
Energy: 0.36429890986417623
Energy: 0.375254709209511
Energy: 0.3642989098649394
Energy: 0.2933620742681876
Energy: 0.36056846633715534
Energy: 0.3140915844459907
Energy: 0.36056846633715534
Energy: 0.30162798455330503
Energy: 0.33447976686224046
Energy: 0.4303793120329871
Energy: 0.33447976686147723
Energy: 0.37060773271691405
Energy: 0.3753623927891281
Energy: 0.2978570559091214
Energy: 0.3753623927876017
Energy: 0.3003407972100801
Energy: 0.36470733703207986
Energy: 0.36199963028933085
Energy: 0.36470733703131664
Energy: 0.39069230357711016
Energy: 0.36102459382363933
Energy: 0.30105332145367125
Energy: 0.36102459382363933
Energy: 0.3016470612943717
Energy: 0.33541122204271506
Energy: 0.29584762429699374
Energy: 0.3354112220434783
Energy: 0.3061830048860058
Energy: 0.37614854998772174
Energy: 0.3031194636941318
Energy: 0.37614854998619535
Energy: 0.3003794325820426
Energy: 0.35143956780035696
Energy: 0.300841782894364
Energy: 0.35143956780035696
Energy: 0.36821549943193593
Energy: 0.36318023044735326
Energy: 0.30081411668783
Energy: 0.3631802304481165
Energy: 0.31662157903897237
Energy: 0.3563776439999589
Energy: 0.294833977377341
Energy: 0.3563776439999589
Energy: 0.4325315856710223
Energy: 0.37183764202486824
Energy: 0.3032177029297403
Energy: 0.37183764202486824
Energy: 0.3002850985030387
Energy: 0.40565929576332777
Energy: 0.2973614027297695
Energy: 0.4056592957625646
Energy: 0.29852378878036523
Energy: 0.36290794803590226
Energy: 0.30106192315858094
Energy: 0.3629079480366655
Energy: 0.3016825572213405
Energy: 0.35653734762434386
Energy: 0.3934818358049236
Energy: 0.3565373476251071
Energy: 0.2947397621586686
Energy: 0.3737305431741468
Energy: 0.30323561392270876
Energy: 0.3737305431741468
Energy: 0.29895330862806563
Energy: 0.37198577105519065
Energy: 0.3866666745146309
Energy: 0.37198577105595376
Energy: 0.2953660669448429
Energy: 0.3512815625821136
Energy: 0.3036848734606152
Energy: 0.3512815625821136

minimum gb energy = 0.2933620742681876 eV
minimum distance =  2.6186304939599 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.44171423481864075
Energy: 0.3316665056087874
Energy: 0.39268073537231063
Energy: 0.33166650561254163
Energy: 0.4310417865933876
Energy: 0.28255229043924857
Energy: 0.27863587411800156
Energy: 0.2825522904379971
Energy: 0.3179511917003638
Energy: 0.2827067810571469
Energy: 0.350847603793792
Energy: 0.28270678105339275
Energy: 0.3723440931554204
Energy: 0.2856184753617201
Energy: 0.27750458656096477
Energy: 0.28561847536359714
Energy: 0.3081851512795052
Energy: 0.29280286828702917
Energy: 0.3178466193452667
Energy: 0.29280286828640345
Energy: 0.316994629907937
Energy: 0.2809187211604882
Energy: 0.2812423284832333
Energy: 0.2809187211579854
Energy: 0.2800246174811403
Energy: 0.2806413708023052
Energy: 0.31636691963910246
Energy: 0.28064137080355656
Energy: 0.30625414993608363
Energy: 0.2885403758798399
Energy: 0.3082219916189388
Energy: 0.28854037588109127
Energy: 0.27872678630644987
Energy: 0.32636494444443953
Energy: 0.40037552903347007
Energy: 0.32636494444443953
Energy: 0.283295760760422
Energy: 0.2817944073071917
Energy: 0.3180638781267496
Energy: 0.2817944073053145
Energy: 0.27789719533386004
Energy: 0.28285827123994894
Energy: 0.43058096065950247
Energy: 0.2828582712405746
Energy: 0.27498281006109127
Energy: 0.287480938866547
Energy: 0.40311956652752545
Energy: 0.2874809388609157
Energy: 0.2788479553652061
Energy: 0.326395267168308
Energy: 0.40271805259501303
Energy: 0.32639526711640354
Energy: 0.33382238547191473
Energy: 0.31788598927219397
Energy: 0.31795133652437574
Energy: 0.31788598927594813
Energy: 0.2786307499852818
Energy: 0.2859889679942262
Energy: 0.4254670611706057
Energy: 0.2859889679954776
Energy: 0.3549781595778284
Energy: 0.326979693710691
Energy: 0.3082683989130519
Energy: 0.32697969371194247
Energy: 0.28201198049008014
Energy: 0.31115605556399817
Energy: 0.36775482546241073
Energy: 0.3111560555633725
Energy: 0.38628262746652303
Energy: 0.2870243828180295
Energy: 0.2811429972332038
Energy: 0.2870243828123982
Energy: 0.309515772264796
Energy: 0.2882738118730417
Energy: 0.3114742358901349
Energy: 0.28827381187241596
Energy: 0.38217564227796114
Energy: 0.3275347231876186
Energy: 0.2798564339328639
Energy: 0.3275347231913728
Energy: 0.31903771224353283
Energy: 0.31098238467561395
Energy: 0.2776926321194595
Energy: 0.3109823846762397
Energy: 0.47403184595013326
Energy: 0.3579363582805271
Energy: 0.2783096763827041
Energy: 0.35793635827990145
Energy: 0.44011905397210577
Energy: 0.2911109903548442
Energy: 0.27687266477962835
Energy: 0.2911109903585984
Energy: 0.4300661586909107
Energy: 0.34750802277565307
Energy: 0.28003944049394364
Energy: 0.347508022773776
Energy: 0.31917016888425614
Energy: 0.3491687647353196
Energy: 0.2773485849137959
Energy: 0.34916876473469394
Energy: 0.42303709530937367
Energy: 0.36333512122840883
Energy: 0.2798988564103536
Energy: 0.36333512122903455
Energy: 0.30959175294327695
Energy: 0.3470436024420037
Energy: 0.3628784953022723
Energy: 0.3470436024426295
Energy: 0.31163148058357554
Energy: 0.3109460621310179
Energy: 0.2834338340824706
Energy: 0.3109460621322693
Energy: 0.28207580016386646
Energy: 0.35099040465072173
Energy: 0.3841127345137181
Energy: 0.35099040464759335
Energy: 0.31010307503954015
Energy: 0.3621276314349259
Energy: 0.31180429111984975
Energy: 0.3621276314336745
Energy: 0.27756483684112193
Energy: 0.34725640104348926
Energy: 0.38004948653141746
Energy: 0.3472564010422379
Energy: 0.2766064363804256
Energy: 0.3107479035914869
Energy: 0.3213130331621245
Energy: 0.3107479035946154

minimum gb energy = 0.27498281006109127 eV
minimum distance =  2.61610400858362 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.371958439408681
Energy: 0.3412578881392832
Energy: 0.3734040583515697
Energy: 0.3412578881403433
Energy: 0.41914476956686975
Energy: 0.2676588100969016
Energy: 0.2659500716018998
Energy: 0.26765881009902187
Energy: 0.27403390079860435
Energy: 0.26621338493802127
Energy: 0.2704250768225699
Energy: 0.26621338493590097
Energy: 0.37196966042898244
Energy: 0.30955106351819467
Energy: 0.2660655219868808
Energy: 0.3095510635208449
Energy: 0.26448136467164984
Energy: 0.2946069319762197
Energy: 0.3706246540961731
Energy: 0.29460693197568966
Energy: 0.3589496011906071
Energy: 0.2669801353834185
Energy: 0.2661175702897967
Energy: 0.26698013537228743
Energy: 0.26589447981334735
Energy: 0.2701865853251004
Energy: 0.2724345779218209
Energy: 0.27018658532139
Energy: 0.3102165741156686
Energy: 0.2704913680346477
Energy: 0.2660272339550449
Energy: 0.27049136803623786
Energy: 0.26644249943748155
Energy: 0.34043180758806174
Energy: 0.34648810042450817
Energy: 0.34043180758965186
Energy: 0.2633358307254313
Energy: 0.2669159232565244
Energy: 0.26466529496718133
Energy: 0.26691592325387414
Energy: 0.2656362521084367
Energy: 0.26857390709506235
Energy: 0.3724531448255823
Energy: 0.26857390710990386
Energy: 0.2669510887738949
Energy: 0.26632729800669774
Energy: 0.27425210449048887
Energy: 0.26632729800510757
Energy: 0.2664295368092787
Energy: 0.2730675846179236
Energy: 0.44126423933082426
Energy: 0.2730675846094427
Energy: 0.26245154456771796
Energy: 0.2700667055242015
Energy: 0.37178660929056356
Energy: 0.27006670552685175
Energy: 0.26580515779695146
Energy: 0.26795168464367625
Energy: 0.46843885419446657
Energy: 0.26795168463254504
Energy: 0.3089426646696009
Energy: 0.26638458234086587
Energy: 0.27425926039006904
Energy: 0.2663845823477565
Energy: 0.26702876268566234
Energy: 0.34418644721967656
Energy: 0.41361446786803846
Energy: 0.34418644722020664
Energy: 0.3290683887169805
Energy: 0.2885088078680046
Energy: 0.2646873792884801
Energy: 0.28850880802485224
Energy: 0.2658998918310965
Energy: 0.2676224670224179
Energy: 0.3700249709024615
Energy: 0.2676224670224179
Energy: 0.332419287591526
Energy: 0.26812143906490493
Energy: 0.2660662788459449
Energy: 0.2681214390596044
Energy: 0.2669252613146322
Energy: 0.2760783457865415
Energy: 0.31745892901371875
Energy: 0.2760783457870716
Energy: 0.3305832161449113
Energy: 0.2713708903150208
Energy: 0.2673343609565949
Energy: 0.2713708903176711
Energy: 0.2655260120315471
Energy: 0.2672815076298545
Energy: 0.2707721407180042
Energy: 0.267281507634625
Energy: 0.4347789685774222
Energy: 0.26792086780620317
Energy: 0.2659160318002862
Energy: 0.267920867805143
Energy: 0.2751704898106563
Energy: 0.27609274288803715
Energy: 0.2639710890926802
Energy: 0.27609274289227753
Energy: 0.41786596000023485
Energy: 0.2727302560965872
Energy: 0.26731512172094357
Energy: 0.2727302560960571
Energy: 0.37223256254195436
Energy: 0.2657766987209851
Energy: 0.2643480157437688
Energy: 0.2657766987162146
Energy: 0.4605803934616485
Energy: 0.2671418110766989
Energy: 0.26606683397675107
Energy: 0.2671418110751087
Energy: 0.27508431341241035
Energy: 0.3405758487003341
Energy: 0.265687776919635
Energy: 0.34057584869980406
Energy: 0.37005027340421587
Energy: 0.27060838812369814
Energy: 0.26737145623998304
Energy: 0.27060838812581833
Energy: 0.26563035372869026
Energy: 0.3325498319139966
Energy: 0.3296228150268821
Energy: 0.3325498319145267
Energy: 0.3662609429611094
Energy: 0.26820174842532574
Energy: 0.26616120983685415
Energy: 0.26820174843486666
Energy: 0.26688528228373243
Energy: 0.3423617515961742
Energy: 0.3314406321063785
Energy: 0.3423617515967043
Energy: 0.26755813394434125
Energy: 0.2763329987205617
Energy: 0.26725306556369177
Energy: 0.27633299871897155
Energy: 0.26474752693086173
Energy: 0.3341413939033168
Energy: 0.3291318967780468
Energy: 0.33414139390543707
Energy: 0.26745101052140413
Energy: 0.2680304489402891
Energy: 0.26722043305408094
Energy: 0.26803044905367235
Energy: 0.2668582365179967
Energy: 0.34203755215970494
Energy: 0.42393449764493785
Energy: 0.3420375521570546

minimum gb energy = 0.26245154456771796 eV
minimum distance =  2.67498012431707 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.3469803717246731
Energy: 0.25505168174568754
Energy: 0.24080624932996142
Energy: 0.25505168174706666
Energy: 0.42685361074003686
Energy: 0.2533117874629028
Energy: 0.24208459344789568
Energy: 0.25331178746336247
Energy: 0.333674089655192
Energy: 0.253451126989812
Energy: 0.3006715858229578
Energy: 0.25345112699027167
Energy: 0.38578302279116394
Energy: 0.2533158197658687
Energy: 0.24193081927003288
Energy: 0.2533158197658687
Energy: 0.251634641721386
Energy: 0.24204907666350967
Energy: 0.2357846385406923
Energy: 0.24204907666580824
Energy: 0.34412808154305796
Energy: 0.2530370270379388
Energy: 0.24224119356928858
Energy: 0.2530370270397776
Energy: 0.24061694802327904
Energy: 0.25942364389639627
Energy: 0.24309948191108732
Energy: 0.25942364392671663
Energy: 0.31877709112145264
Energy: 0.2525915995032557
Energy: 0.24211014061252434
Energy: 0.2525915995032557
Energy: 0.24172952179874818
Energy: 0.24603386496864127
Energy: 0.3006930719637558
Energy: 0.24603386496772184
Energy: 0.27796041581218484
Energy: 0.259465755578958
Energy: 0.24092773070257636
Energy: 0.259465755578958
Energy: 0.2425643794169226
Energy: 0.2531842196448456
Energy: 0.34393197732008934
Energy: 0.25318421964622473
Energy: 0.23466292822558507
Energy: 0.25251520400333405
Energy: 0.25183620201394713
Energy: 0.25251520400379374
Energy: 0.24170057040908977
Energy: 0.24665481003484724
Energy: 0.3850240539489829
Energy: 0.24665481003484724
Energy: 0.2383030248659846
Energy: 0.2531441393640533
Energy: 0.33385820787026027
Energy: 0.2531441393635936
Energy: 0.24244801327031176
Energy: 0.25290781510975135
Energy: 0.42710908190604524
Energy: 0.25290781511067073
Energy: 0.23602742386436087
Energy: 0.25520537370714125
Energy: 0.34724055152220334
Energy: 0.2552053737089801
Energy: 0.24170817879008138
Energy: 0.24655733055746626
Energy: 0.4276980739109922
Energy: 0.24655733055746626
Energy: 0.2768209511974993
Energy: 0.25296220113407736
Energy: 0.3337819753547159
Energy: 0.2529622011336176
Energy: 0.24286272506047285
Energy: 0.25310870396526447
Energy: 0.41048920594956734
Energy: 0.2531087039657242
Energy: 0.29498122896965445
Energy: 0.3273674511350828
Energy: 0.25183038697335497
Energy: 0.32736745113554255
Energy: 0.24214326148058865
Energy: 0.24602944567316512
Energy: 0.36398481616686174
Energy: 0.24602944567316512
Energy: 0.2941264233200984
Energy: 0.2529344168973194
Energy: 0.24091409102119127
Energy: 0.2529344168936626
Energy: 0.242851513399703
Energy: 0.2526638210886546
Energy: 0.3187086828248904
Energy: 0.2526638210895741
Energy: 0.29454574043473397
Energy: 0.2599437128549987
Energy: 0.2419886520012988
Energy: 0.2599437044656762
Energy: 0.24166685833986562
Energy: 0.2520482425597475
Energy: 0.27692068648962553
Energy: 0.25204824255928776
Energy: 0.3746682180893893
Energy: 0.25291558077858645
Energy: 0.243329329922979
Energy: 0.2529155807758282
Energy: 0.2526664817313802
Energy: 0.25264196033051445
Energy: 0.23657099791822922
Energy: 0.2526419603300547
Energy: 0.37559876148983234
Energy: 0.25979573813888024
Energy: 0.24202009640405953
Energy: 0.25979573814163853
Energy: 0.3344841837329656
Energy: 0.2528946443385743
Energy: 0.23757776381678777
Energy: 0.25289464433949377
Energy: 0.45669060520582083
Energy: 0.2530183415197433
Energy: 0.24318586422395008
Energy: 0.2530183415206627
Energy: 0.34790927902608715
Energy: 0.2522819081334561
Energy: 0.23478597834407744
Energy: 0.2522819081339159
Energy: 0.41687889575643555
Energy: 0.2599367484050957
Energy: 0.2420261916028569
Energy: 0.25993674840555536
Energy: 0.3343288109155617
Energy: 0.25285714166663914
Energy: 0.24084118875875837
Energy: 0.2528571416675586
Energy: 0.41028507167738004
Energy: 0.2523110207903257
Energy: 0.24314431709174472
Energy: 0.2523110207907855
Energy: 0.25276530881446735
Energy: 0.2525999788236465
Energy: 0.2945981733907679
Energy: 0.2525999788241062
Energy: 0.32172347550837616
Energy: 0.2594878700251057
Energy: 0.2422131085826884
Energy: 0.25948787002464596
Energy: 0.2417275196242417
Energy: 0.25224144834745
Energy: 0.29408214718488185
Energy: 0.25224144835340545
Energy: 0.3183794133136207
Energy: 0.2527334319582615
Energy: 0.24303986741687753
Energy: 0.25273343195964065
Energy: 0.2428086793082244
Energy: 0.25243852724602533
Energy: 0.29252266651313824
Energy: 0.2524385273048481
Energy: 0.23596395912226953
Energy: 0.2686596643969284
Energy: 0.24316702478706786
Energy: 0.26865966439600897
Energy: 0.2445935248324584
Energy: 0.25237525620210893
Energy: 0.3750610796961826
Energy: 0.25237525620210893
Energy: 0.2355463734852746
Energy: 0.252560495282489
Energy: 0.2540520495188412
Energy: 0.2525604952820293
Energy: 0.24288154132737771
Energy: 0.25262684426374177
Energy: 0.37611981619417917
Energy: 0.2526268443262214

minimum gb energy = 0.23466292822558507 eV
minimum distance =  2.6363652079606 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.011732917720447324
Energy: 0.012539751853553136
Energy: 0.2857099522200106
Energy: 0.012539751852865957
Energy: 0.2854456290133376
Energy: 0.1559973266620837
Energy: 0.15615525322084892
Energy: 0.15599732666173033
Energy: 0.011732917720447324
Energy: 0.012539751853199731
Energy: 0.2857099522206978
Energy: 0.012539751853199731
Energy: 0.2854456290133376
Energy: 0.1559973266620837
Energy: 0.15615525322153612
Energy: 0.15599732666139654
Energy: 0.011732917720781097
Energy: 0.012539751852865957
Energy: 0.2857099522214046
Energy: 0.012539751852512552
Energy: 0.2854456290133376
Energy: 0.1559973266627709
Energy: 0.15615525322084892
Energy: 0.15599732666173033

minimum gb energy = 0.011732917720447324 eV
minimum distance =  2.84723958476868 Angstroms
sigma value = 1