Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61105090379715
cohesive_energy=4.158489038127336
mass=55.845
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: 0.01614114965533123
Energy: 1.7657873736227438
Energy: 0.01614114965564552
Energy: 1.7657873736227438
Energy: 0.01614114965564552
Energy: 1.7657873736227438
Energy: 1.7657873736227438
Energy: 0.01682250347884973
Energy: 1.7657873736227438
Energy: 0.016822503473297196
Energy: 1.7657873736227438
Energy: 0.0168225034763703
Energy: 0.01614114965533123
Energy: 1.7657873736230234
Energy: 0.016141149655959818
Energy: 1.7657873736224294
Energy: 0.01614114965564552
Energy: 1.7657873736230234
Energy: 1.7657873736227438
Energy: 0.01682250347790685
Energy: 1.7657873736224294
Energy: 0.016822503484995935
Energy: 1.7657873736224294
Energy: 0.016822503483738756
Energy: 0.01614114965533123
Energy: 1.7657873736224294
Energy: 0.01614114965564552
Energy: 1.7657873736224294
Energy: 0.01614114965564552
Energy: 1.7657873736227438
Energy: 1.7657873736230234
Energy: 0.016822503473017822
Energy: 1.7657873736224294
Energy: 0.01682250347361149
Energy: 1.7657873736224294
Energy: 0.016822503476998884

minimum gb energy = 0.01614114965533123 eV
minimum distance =  2.55067856481341 Angstroms
sigma value = 1


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

Energy: 1.9881221463922867
Energy: 1.7863560344316518
Energy: 1.9881221463907737
Energy: 1.786356034429382
Energy: 1.98812214639153
Energy: 1.786356034429382
Energy: 2.102664409038686
Energy: 1.6354839583079723
Energy: 2.1026644090454947
Energy: 1.635483958308729
Energy: 2.102664409044738
Energy: 1.635483958308729
Energy: 1.837605696192475
Energy: 1.8769630804355448
Energy: 1.837605696192475
Energy: 1.876963080437058
Energy: 1.837605696192475
Energy: 1.8769630804325186
Energy: 2.0155901655238235
Energy: 1.7589232460077107
Energy: 2.015590165526093
Energy: 1.7589232460084674
Energy: 2.0155901655253365
Energy: 1.7589232460084674
Energy: 1.8493679896603301
Energy: 2.0077681354440258
Energy: 1.8493679896610866
Energy: 2.007768135443269
Energy: 1.8493679896595736
Energy: 2.0077681354447825
Energy: 1.928273528841019
Energy: 1.7171940962919008
Energy: 1.9282735288432888
Energy: 1.7171940962888745
Energy: 1.928273528841019
Energy: 1.7171940962926573
Energy: 1.8405386551555605
Energy: 1.9465564482067623
Energy: 1.8405386551593432
Energy: 1.9465564482052493
Energy: 1.8405386551578302
Energy: 1.9465564482082753
Energy: 1.740607785924642
Energy: 2.0741987355537805
Energy: 1.7406077859253988
Energy: 2.0741987355575633
Energy: 1.7406077859238855
Energy: 2.0741987355537805
Energy: 1.9529238491161425
Energy: 1.9492081415356401
Energy: 1.9529238491184122
Energy: 1.9492081415348834
Energy: 1.9529238491191687
Energy: 1.9492081415348834
Energy: 1.6260815493247798
Energy: 2.063177623833601
Energy: 1.6260815493247798
Energy: 2.0631776238290613
Energy: 1.6260815493270493
Energy: 2.0631776238366273
Energy: 1.9372601300141314
Energy: 1.7267540776857058
Energy: 1.9372601260734927
Energy: 1.7267540776849493
Energy: 1.9372601156257387
Energy: 1.7267540776864623
Energy: 1.545219701101319
Energy: 1.9917776213423264
Energy: 1.5452197011020756
Energy: 1.9917776213400569
Energy: 1.5452197011020756
Energy: 1.9917776213370308
Energy: 2.109012338736195
Energy: 1.5243273809603335
Energy: 2.109012338736195
Energy: 1.52432738096109
Energy: 2.1090123387369513
Energy: 1.5243273809603335
Energy: 1.7401634979938003
Energy: 1.8576518114345997
Energy: 1.7401634979967577
Energy: 1.8576518114338434
Energy: 1.7401634979945568
Energy: 1.8576518114345997
Energy: 2.167447168941072
Energy: 1.631890009247691
Energy: 2.1674471689251846
Energy: 1.6318900092469346
Energy: 2.167447168931994
Energy: 1.6318900092514739
Energy: 2.1715224810916363
Energy: 1.926343882564143
Energy: 2.171522481092393
Energy: 1.9263438825671693
Energy: 2.1715224810916363
Energy: 1.9263438825648997
Energy: 1.9315920203140047
Energy: 1.877228938620589
Energy: 1.9315920203056829
Energy: 1.8772289386183192
Energy: 1.9315920203102221
Energy: 1.8772289386168062
Energy: 1.9311018780441684
Energy: 1.761238352854793
Energy: 1.9311018780388725
Energy: 1.7612383528502538
Energy: 1.931101878047882
Energy: 1.761238352857819
Energy: 1.7595091163004324
Energy: 1.7582622579072447
Energy: 1.7595091162966496
Energy: 1.7582622579057314
Energy: 1.7595091162928669
Energy: 1.758262257908001
Energy: 1.9026679584471156
Energy: 1.7175620139665801
Energy: 1.9026679584463593
Energy: 1.7175620139696062
Energy: 1.9026679584440895
Energy: 1.7175620139658234
Energy: 1.6515584133148415
Energy: 2.0297465412934454
Energy: 1.651558413314085
Energy: 2.0297465412450264
Energy: 1.6515584133148415
Energy: 2.0297465409743207
Energy: 1.954343016000219
Energy: 1.950094081218681
Energy: 1.9543430159949233
Energy: 1.950094081218681
Energy: 1.9543430159911406
Energy: 1.9500940812194378
Energy: 1.5271928827367036
Energy: 2.10256389883403
Energy: 1.5271928827382169
Energy: 2.1025638988415953
Energy: 1.5271928827367036
Energy: 2.102563898835543

minimum gb energy = 1.5243273809603335 eV
minimum distance =  2.33344442476263 Angstroms
sigma value = 33


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

Energy: 2.254641014336469
Energy: 2.0477193617611418
Energy: 2.1517023580124697
Energy: 2.0477193617611418
Energy: 2.2546410143368987
Energy: 2.0477193617576996
Energy: 2.0820982209011643
Energy: 1.8009765753104103
Energy: 2.0820982209084793
Energy: 1.8009765753108409
Energy: 2.0820982209058974
Energy: 1.8009765753108409
Energy: 1.723980874496003
Energy: 1.4800643852709165
Energy: 1.7239808745046097
Energy: 1.480170950653943
Energy: 1.7239808744994454
Energy: 1.4744145673659843
Energy: 2.0596167855446352
Energy: 1.9603535015475306
Energy: 2.0596167855429144
Energy: 1.960353501514396
Energy: 2.0596167855454954
Energy: 1.9603535008249058
Energy: 1.953442893869031
Energy: 1.870425614016443
Energy: 1.9534428938707522
Energy: 1.8704256140147215
Energy: 1.9534428938698916
Energy: 1.8704256140138609
Energy: 1.763488261062071
Energy: 1.6296486418369798
Energy: 1.7634882610625016
Energy: 1.6296486418343976
Energy: 1.7634882610534646
Energy: 1.6296486418361191
Energy: 2.110727577486891
Energy: 1.5648295724710244
Energy: 2.112717228346156
Energy: 1.5648212939048696
Energy: 2.11072757702148
Energy: 1.5645643784674728
Energy: 1.645247837980133
Energy: 2.1233464543378515
Energy: 1.6452481902874165
Energy: 2.1233464535046727
Energy: 1.645247837980133
Energy: 2.123346448879512
Energy: 1.6550755682656146
Energy: 1.7293247969094332
Energy: 1.6550755682720695
Energy: 1.7293247969098633
Energy: 1.6550755682656146
Energy: 1.7293247969090024
Energy: 1.6889857430064208
Energy: 2.106877088787748
Energy: 1.6889901367253715
Energy: 2.1068770886961286
Energy: 1.6889857430051298
Energy: 2.106877087778647
Energy: 2.1173551319907653
Energy: 1.6925110433458785
Energy: 2.1173551319812978
Energy: 1.6925110433454482
Energy: 2.11735513194429
Energy: 1.6925110433510429
Energy: 1.7263033886522385
Energy: 1.7971172347315283
Energy: 1.7263034731962956
Energy: 1.7971172347323885
Energy: 1.7263033886522385
Energy: 1.7971172347298459
Energy: 2.0970616907117483
Energy: 1.6607319509402565
Energy: 2.0970616907117483
Energy: 1.6607319509398262
Energy: 2.097061690709166
Energy: 1.6607319509419778
Energy: 2.0290492987525357
Energy: 2.070687187382823
Energy: 2.02904929874522
Energy: 2.07068718737895
Energy: 2.0290492987525357
Energy: 2.070687187389278
Energy: 1.9858666148644066
Energy: 1.8007243879112707
Energy: 1.9858666148665585
Energy: 1.800724387912992
Energy: 1.985866614863116
Energy: 1.8007243879121313
Energy: 1.7242324468992833
Energy: 1.8001315539023661
Energy: 1.724232446903156
Energy: 1.8001315539053786
Energy: 1.7242324468984225
Energy: 1.8001315538981018
Energy: 2.0589933484402136
Energy: 1.9604421576132378
Energy: 2.058993330007012
Energy: 1.9604421576089344
Energy: 2.0589931712518665
Energy: 1.9604421576136681
Energy: 1.9707517708094096
Energy: 1.529413884300072
Energy: 1.9707517708038156
Energy: 1.52941388429749
Energy: 1.9707517708085491
Energy: 1.5294138843039449
Energy: 1.767189181864156
Energy: 1.766828271455621
Energy: 1.7671891818529675
Energy: 1.7668282714534695
Energy: 1.7671891818650167
Energy: 1.7668282714478751
Energy: 2.057556777040057
Energy: 2.134967317856102
Energy: 2.0575567770361847
Energy: 2.134967317855671
Energy: 2.057556777037906
Energy: 2.1349673178569626
Energy: 1.5735679840333536
Energy: 2.183491483170793
Energy: 1.573567984035505
Energy: 2.183491477592433
Energy: 1.5735679840337842
Energy: 2.1834914568623374
Energy: 1.8441634821161528
Energy: 1.7294498482689873
Energy: 1.8441634821131405
Energy: 1.7294498482694174
Energy: 1.8441634821161528
Energy: 1.7294498482603806
Energy: 1.6891439184380241
Energy: 2.0516012178802487
Energy: 1.6891446846763403
Energy: 2.051599926126335
Energy: 1.689143918438885
Energy: 2.051578460551364
Energy: 2.117866433420205
Energy: 1.956310678997489
Energy: 2.117866433421065
Energy: 1.956310678997059
Energy: 2.117866433418053
Energy: 1.9563106789949074
Energy: 1.7239627996159097
Energy: 1.7746775692509982
Energy: 1.7241623413691067
Energy: 1.7746775692449737
Energy: 1.7239627996141882
Energy: 1.7746775692355068
Energy: 2.2018448865083475
Energy: 2.043047970183882
Energy: 2.108621663795113
Energy: 2.043047970183022
Energy: 2.201844886510499
Energy: 2.043047970189046
Energy: 2.2021575168703347
Energy: 2.063519396319875
Energy: 2.1085054325151344
Energy: 2.06351939632633
Energy: 2.2021575168694736
Energy: 2.06351939632676
Energy: 1.7240442491378396
Energy: 1.8432762668930778
Energy: 1.7240442491387
Energy: 1.8432762668939384
Energy: 1.7240442491395607
Energy: 1.8432762669029752
Energy: 2.108344121647005
Energy: 1.800982034475935
Energy: 2.108344121496041
Energy: 1.8009820344746441
Energy: 2.1083441208241545
Energy: 1.8009820344776566
Energy: 1.6894356163255424
Energy: 2.0174217155959275
Energy: 1.6894356163246818
Energy: 2.017421715568387
Energy: 1.689435616325973
Energy: 2.01742171499031
Energy: 1.5268317020241993
Energy: 1.5290035866704481
Energy: 1.5221393703398003
Energy: 1.5290035866162668
Energy: 1.5375845599168965
Energy: 1.5290035867586247
Energy: 1.6602675648454948
Energy: 1.509228952131085
Energy: 1.6602675648437735
Energy: 1.5090656793930997
Energy: 1.6602675648450644
Energy: 1.509229854329383
Energy: 2.1151388719269977
Energy: 1.5439759261060473
Energy: 2.1171480461795897
Energy: 1.5436845510013002
Energy: 2.1151388719300104
Energy: 1.5436295487394014
Energy: 1.8020615920562855
Energy: 1.985686755209334
Energy: 1.8020615920562855
Energy: 1.9856867552140673
Energy: 1.8020615920537038
Energy: 1.9856867552106248
Energy: 1.8003170111364366
Energy: 1.7241707949493172
Energy: 1.8003170111334243
Energy: 1.724170794951899
Energy: 1.8003170111416003
Energy: 1.7241707949480263
Energy: 1.9587228417839426
Energy: 2.0639723805839183
Energy: 1.9587228417022213
Energy: 2.0639723805791856
Energy: 1.9587228415521174
Energy: 2.063972380592525
Energy: 1.7247813852273046
Energy: 1.9537598115463037
Energy: 1.7247738970916442
Energy: 1.9537598115463037
Energy: 1.724781385226444
Energy: 1.953759811545443
Energy: 1.7902875725894212
Energy: 1.7640123494951259
Energy: 1.7902875725920027
Energy: 1.7640123494989988
Energy: 1.7902875725872693
Energy: 1.7640123494989988
Energy: 2.0291494388480458
Energy: 2.053946320745678
Energy: 2.0291494388532096
Energy: 2.053946320741374
Energy: 2.0291494388480458
Energy: 2.0539463207241617
Energy: 2.1838295237317302
Energy: 1.5732938112587296
Energy: 2.183829514821596
Energy: 1.5732938112587296
Energy: 2.183829496046015
Energy: 1.573293811255717
Energy: 1.7264735046687671
Energy: 1.656411577243092
Energy: 1.7264735046726396
Energy: 1.6564115772427004
Energy: 1.7264735046691972
Energy: 1.6564115772482557

minimum gb energy = 1.4744145673659843 eV
minimum distance =  2.37370134650065 Angstroms
sigma value = 51


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

Energy: 1.925634693141202
Energy: 1.9371726292236673
Energy: 1.925634693143196
Energy: 1.9371726292216733
Energy: 1.925634693143196
Energy: 1.9371726292216733
Energy: 2.024613779605787
Energy: 1.7379207232331155
Energy: 2.024613779602795
Energy: 1.7379207232311213
Energy: 2.0246137796067836
Energy: 1.7379207232331155
Energy: 1.7418608504789694
Energy: 1.8764673368298042
Energy: 1.7418608504779727
Energy: 1.8764673368347893
Energy: 1.7418608504769755
Energy: 1.8764673368298042
Energy: 1.9054271288296079
Energy: 1.5985520245328653
Energy: 1.905427128832599
Energy: 1.5985520245328653
Energy: 1.905427128831602
Energy: 1.5985520245328653
Energy: 1.9112110892238325
Energy: 1.8799286083501108
Energy: 1.9112110892238325
Energy: 1.8799286083481166
Energy: 1.9112110892238325
Energy: 1.8799286083501108
Energy: 1.9317865937597138
Energy: 1.880047179435871
Energy: 1.9317865937656962
Energy: 1.8800471794288918
Energy: 1.931786593764699
Energy: 1.8800471794259006
Energy: 1.7528864789052065
Energy: 1.8799225600926928
Energy: 1.7528864789062037
Energy: 1.87992256009369
Energy: 1.752886478908198
Energy: 1.8799225600887046
Energy: 1.7494994060606266
Energy: 1.8807735372092784
Energy: 1.7494994060576354
Energy: 1.8807735372082817
Energy: 1.7494994060606266
Energy: 1.880773537219249
Energy: 2.1381304905536807
Energy: 1.5982631713295143
Energy: 2.138130490554678
Energy: 1.5982631713295143
Energy: 2.1381304905536807
Energy: 1.5982631713295143
Energy: 1.6310287274458122
Energy: 2.1103620226392823
Energy: 1.6310287274458122
Energy: 2.1103620226372883
Energy: 1.6310287274458122
Energy: 2.1103620226372883
Energy: 1.9446325329815752
Energy: 1.6139370651368492
Energy: 1.9446296685286333
Energy: 1.6139370651368492
Energy: 1.9446250704395271
Energy: 1.6139370651368492
Energy: 1.9267825814766557
Energy: 1.937180409808717
Energy: 1.926782581475659
Energy: 1.9371804098057261
Energy: 1.926782581475659
Energy: 1.9371804098037322
Energy: 2.022953321991709
Energy: 1.739505800881144
Energy: 2.0229533142600715
Energy: 1.7395058008791495
Energy: 2.0229532733694517
Energy: 1.739505800881144
Energy: 1.8618901816432618
Energy: 1.7748477136836176
Energy: 1.8618901816472502
Energy: 1.7748477136846148
Energy: 1.861890181642265
Energy: 1.7748477136856116
Energy: 1.8784907220535154
Energy: 1.9161228978160116
Energy: 1.8784907220545122
Energy: 1.9161228978160116
Energy: 1.8784907220535154
Energy: 1.9161228978170088
Energy: 1.9097971931088733
Energy: 1.879992326968033
Energy: 1.90979719310987
Energy: 1.8799923269670358
Energy: 1.9097971931108673
Energy: 1.8799923269630476
Energy: 1.9111016542341177
Energy: 2.04490927831593
Energy: 1.9111016542341177
Energy: 2.044909278316927
Energy: 1.911101654236112
Energy: 2.044909278318921
Energy: 1.8631546958035985
Energy: 1.8830518872800903
Energy: 1.8631546958026013
Energy: 1.8830518872810875
Energy: 1.8631546958035985
Energy: 1.8830518872800903

minimum gb energy = 1.5982631713295143 eV
minimum distance =  2.24258155338747 Angstroms
sigma value = 19


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

Energy: 1.5577900367236432
Energy: 1.580554716681984
Energy: 1.5577900367236432
Energy: 1.5805547166813925
Energy: 1.5577900367236432
Energy: 1.5805547166825753
Energy: 1.723520593668318
Energy: 1.9265940043020888
Energy: 1.723520593664178
Energy: 1.9265940043020888
Energy: 1.723520593668318
Energy: 1.9265940043026804
Energy: 1.500337056993328
Energy: 1.9230012588844636
Energy: 1.5003370569921453
Energy: 1.9230012588844636
Energy: 1.5003370569927366
Energy: 1.923001258886238
Energy: 1.6275094465054665
Energy: 1.500625260987381
Energy: 1.6275094465054665
Energy: 1.5006252609879724
Energy: 1.6275094465042834
Energy: 1.5006252609867896
Energy: 1.544609989707112
Energy: 1.5533472155260986
Energy: 1.5446099897065206
Energy: 1.553347215527873
Energy: 1.5446099897065206
Energy: 1.5533472155260986
Energy: 1.5446110252867822
Energy: 1.5534857617454008
Energy: 1.5446110252867822
Energy: 1.5534857617430349
Energy: 1.5446110252873737
Energy: 1.5534857617448092
Energy: 1.6274966239478783
Energy: 1.5006035603350314
Energy: 1.6274966239484696
Energy: 1.5006035603350314
Energy: 1.6274966239472868
Energy: 1.5006035603362142
Energy: 1.5003318822677763
Energy: 1.9229909259555833
Energy: 1.5003318822677763
Energy: 1.9229909259579485
Energy: 1.5003318822683678
Energy: 1.9229909259614972
Energy: 1.723593257879329
Energy: 1.9267090495207109
Energy: 1.7235932578787374
Energy: 1.9267090495201196
Energy: 1.7235932578787374
Energy: 1.9267090495195283
Energy: 1.5577900367236432
Energy: 1.580554716681984
Energy: 1.557790036723052
Energy: 1.5805547166808012
Energy: 1.557790036723052
Energy: 1.5805547166808012
Energy: 1.7235205936647693
Energy: 1.9265940043003145
Energy: 1.723520593668318
Energy: 1.9265940043026804
Energy: 1.7235205936647693
Energy: 1.9265940043026804
Energy: 1.500337056993328
Energy: 1.923001258886238
Energy: 1.5003370569921453
Energy: 1.9230012588886032
Energy: 1.5003370569927366
Energy: 1.9230012588880119
Energy: 1.6275094465054665
Energy: 1.500625260987381
Energy: 1.6275094465054665
Energy: 1.5006252609867896
Energy: 1.6275094465060578
Energy: 1.500625260987381
Energy: 1.5446099897077032
Energy: 1.5533472155272814
Energy: 1.5446099897082948
Energy: 1.5533472155266899
Energy: 1.544609989707112
Energy: 1.5533472155314212
Energy: 1.5446110252873737
Energy: 1.5534857617465836
Energy: 1.5446110252879648
Energy: 1.5534857617454008
Energy: 1.5446110252844165
Energy: 1.5534857617454008
Energy: 1.6274966239478783
Energy: 1.5006035603350314
Energy: 1.6274966239484696
Energy: 1.50060356033444
Energy: 1.6274966239484696
Energy: 1.5006035603350314
Energy: 1.5003318822683678
Energy: 1.9229909259555833
Energy: 1.5003318822683678
Energy: 1.9229909259567661
Energy: 1.5003318822677763
Energy: 1.92299092596268
Energy: 1.7235932578816677
Energy: 1.9267090495213024
Energy: 1.7235932578822593
Energy: 1.9267090495207109
Energy: 1.7235932578787374
Energy: 1.9267090495201196
Energy: 1.5577900367224604
Energy: 1.5805547166808012
Energy: 1.5577900367236432
Energy: 1.5805547166808012
Energy: 1.5577900367236432
Energy: 1.5805547166825753
Energy: 1.7235205936665436
Energy: 1.9265940043020888
Energy: 1.7235205936665436
Energy: 1.9265940043020888
Energy: 1.7235205936653608
Energy: 1.9265940043032717
Energy: 1.5003370569927366
Energy: 1.9230012588850551
Energy: 1.500337056993328
Energy: 1.9230012588874206
Energy: 1.500337056993328
Energy: 1.9230012588880119
Energy: 1.6275094465066493
Energy: 1.500625260987381
Energy: 1.6275094465054665
Energy: 1.500625260987381
Energy: 1.627509446504875
Energy: 1.5006252609879724
Energy: 1.544609989707112
Energy: 1.553347215525507
Energy: 1.544609989707112
Energy: 1.5533472155272814
Energy: 1.544609989707112
Energy: 1.5533472155272814
Energy: 1.5446110252861909
Energy: 1.5534857617448092
Energy: 1.5446110252855993
Energy: 1.5534857617436264
Energy: 1.5446110252850078
Energy: 1.5534857617448092
Energy: 1.6274966239490611
Energy: 1.5006035603350314
Energy: 1.6274966239490611
Energy: 1.50060356033444
Energy: 1.6274966239484696
Energy: 1.50060356033444
Energy: 1.5003318822683678
Energy: 1.9229909259579485
Energy: 1.5003318822683678
Energy: 1.922990925960906
Energy: 1.5003318822677763
Energy: 1.9229909259614972
Energy: 1.7235932578816677
Energy: 1.9267090495218937
Energy: 1.723593257880485
Energy: 1.9267090495201196
Energy: 1.7235932578798934
Energy: 1.9267090495195283
Energy: 1.5577900367242348
Energy: 1.5805547166813925
Energy: 1.5577900367236432
Energy: 1.5805547166813925
Energy: 1.5577900367236432
Energy: 1.5805547166813925
Energy: 1.7235205936677267
Energy: 1.9265940043014973
Energy: 1.7235205936665436
Energy: 1.9265940043020888
Energy: 1.7235205936659523
Energy: 1.9265940043020888
Energy: 1.500337056993328
Energy: 1.9230012588850551
Energy: 1.5003370569927366
Energy: 1.923001258886829
Energy: 1.5003370569921453
Energy: 1.9230012588874206

minimum gb energy = 1.5003318822677763 eV
minimum distance =  2.26951310417743 Angstroms
sigma value = 27


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

Energy: 1.4862701055026921
Energy: 1.4658326959417352
Energy: 1.4862701055012435
Energy: 1.4658326959417352
Energy: 1.4862701055012435
Energy: 1.4658326959417352
Energy: 1.6183288142534025
Energy: 1.5102487692030637
Energy: 1.6183288142505055
Energy: 1.5102487692074098
Energy: 1.6183288142490566
Energy: 1.5102487692059614
Energy: 1.5231069458634743
Energy: 1.650897096016858
Energy: 1.5231069458692692
Energy: 1.6508970960183067
Energy: 1.5231069458663717
Energy: 1.650897096016858
Energy: 1.6279193506738754
Energy: 1.4267788163099862
Energy: 1.627919350675324
Energy: 1.426778816311435
Energy: 1.6279193506796699
Energy: 1.426778816311435
Energy: 1.8080043405152801
Energy: 1.4269545998835698
Energy: 1.8079979635087242
Energy: 1.4269545998835698
Energy: 1.8079807033971325
Energy: 1.4269545998821211
Energy: 1.7644819763755049
Energy: 1.8206192545147888
Energy: 1.764481976378402
Energy: 1.8206192545162374
Energy: 1.7644819763755049
Energy: 1.8206192545162374
Energy: 1.4278265940148007
Energy: 1.5154475574922015
Energy: 1.4278265940148007
Energy: 1.5154475574907529
Energy: 1.4278265940162493
Energy: 1.5154475574922015
Energy: 1.4856645568895768
Energy: 1.4662405245667716
Energy: 1.4856645568895768
Energy: 1.4662405245667716
Energy: 1.4856645568881282
Energy: 1.4662405245667716
Energy: 1.6759091515156863
Energy: 1.5225366315366613
Energy: 1.675909130837806
Energy: 1.5225366314642605
Energy: 1.6759090235068592
Energy: 1.5225366315525966
Energy: 1.629590317325924
Energy: 1.7576666396477765
Energy: 1.629590317325924
Energy: 1.7576666396477765
Energy: 1.6295903173273725
Energy: 1.757666639649225
Energy: 1.5823748501795116
Energy: 1.429326425452069
Energy: 1.5823748501809602
Energy: 1.429326425452069
Energy: 1.5823748501795116
Energy: 1.429326425452069
Energy: 1.978406515481609
Energy: 1.6756682001183674
Energy: 1.9784065154830577
Energy: 1.67566820011547
Energy: 1.9784065154830577
Energy: 1.67566820011547

minimum gb energy = 1.4267788163099862 eV
minimum distance =  2.24265109554724 Angstroms
sigma value = 9


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

Energy: 1.5361942863970017
Energy: 1.3609025874498069
Energy: 1.5361942863949665
Energy: 1.3609025874510283
Energy: 1.5361942863965945
Energy: 1.3609025874485858
Energy: 1.405121521448629
Energy: 1.3425054292832947
Energy: 1.405121521440895
Energy: 1.3425054292832947
Energy: 1.4051215214494432
Energy: 1.3425054292828877
Energy: 1.30154258901773
Energy: 1.4353734960551756
Energy: 1.3015425890169157
Energy: 1.4353734960531404
Energy: 1.3015425890152874
Energy: 1.4353734960543616
Energy: 1.339489798625611
Energy: 1.2808428909080078
Energy: 1.3394897986264251
Energy: 1.280842890909229
Energy: 1.3394897986260184
Energy: 1.280842890908415
Energy: 1.3997503441086256
Energy: 1.3611752539408384
Energy: 1.3997503441090327
Energy: 1.3611752539412454
Energy: 1.399750344110254
Energy: 1.3611752539408384
Energy: 1.4662957519628352
Energy: 1.5308274421367283
Energy: 1.466295751968941
Energy: 1.4500253348022136
Energy: 1.4662957519701618
Energy: 1.45002533477657
Energy: 1.3924775865991401
Energy: 1.4580615407181994
Energy: 1.3924775866036176
Energy: 1.458061540704397
Energy: 1.3924775866089092
Energy: 1.4580615407105026
Energy: 1.264097871045714
Energy: 1.4052145989125377
Energy: 1.264097871046935
Energy: 1.4052145989117237
Energy: 1.264097871045714
Energy: 1.4052145989121307
Energy: 1.41482447390483
Energy: 1.3622163186327831
Energy: 1.4148244739105285
Energy: 1.362216318632376
Energy: 1.414824473915413
Energy: 1.3622163186319691
Energy: 1.3915246163259996
Energy: 1.5642870439301448
Energy: 1.3915246163288486
Energy: 1.564287043930959
Energy: 1.3915246163280348
Energy: 1.5642870439256675
Energy: 1.3350625714175588
Energy: 1.2901254847388033
Energy: 1.3350625714175588
Energy: 1.290125484738396
Energy: 1.3350625714151163
Energy: 1.2901254847379893
Energy: 1.3350115640561877
Energy: 1.4396302687691278
Energy: 1.3350115640553735
Energy: 1.439630268761801
Energy: 1.3350115640549665
Energy: 1.4396302687499967
Energy: 1.4212186535962221
Energy: 1.4268803316170242
Energy: 1.4212186535697644
Energy: 1.426880331615026
Energy: 1.4212186535705784
Energy: 1.4268803316170242
Energy: 1.5265080563680649
Energy: 1.434828861129497
Energy: 1.526508056361552
Energy: 1.4348288611282762
Energy: 1.5265080563721352
Energy: 1.4348288611282762
Energy: 1.2990214393994353
Energy: 1.4865592992814607
Energy: 1.2990214394030988
Energy: 1.4865592992826822
Energy: 1.299021439396993
Energy: 1.486559299282275
Energy: 1.3112083522552127
Energy: 1.4538478258377696
Energy: 1.3112083522649818
Energy: 1.4538478258398049
Energy: 1.31120835225562
Energy: 1.4538478258373626
Energy: 1.3008494580952403
Energy: 1.2821491110716727
Energy: 1.3009965749221586
Energy: 1.28214911107208
Energy: 1.3009715579638914
Energy: 1.2821491110769645
Energy: 1.3198793622952643
Energy: 1.3759983091601697
Energy: 1.3198793622960785
Energy: 1.375998309159763
Energy: 1.3198793622940432
Energy: 1.3759983091601697
Energy: 1.2573854739888186
Energy: 1.6019933269350615
Energy: 1.2573854739912609
Energy: 1.601993306801085
Energy: 1.2573854739900394
Energy: 1.6019932420087974
Energy: 1.5383397226788031
Energy: 1.356450351126859
Energy: 1.538339722677989
Energy: 1.3564503511248238
Energy: 1.5383397226763609
Energy: 1.3564503511231956
Energy: 1.257463230863726
Energy: 1.6019636808031115
Energy: 1.2574632308604696
Energy: 1.6019635644179184
Energy: 1.2574632308625047
Energy: 1.6019629236923294
Energy: 1.3198789861814608
Energy: 1.3760312216597497
Energy: 1.3198789861843103
Energy: 1.3760312216605637
Energy: 1.319878986183089
Energy: 1.376031221660157
Energy: 1.3008558395850591
Energy: 1.2822629516773885
Energy: 1.300914047653986
Energy: 1.2822629516777955
Energy: 1.300905699137853
Energy: 1.282262951681459
Energy: 1.3112071141262478
Energy: 1.3940897862049069
Energy: 1.311207114118921
Energy: 1.3940897861971728
Energy: 1.3112071141258403
Energy: 1.3940897861971728
Energy: 1.2990386644762193
Energy: 1.4288865706848124
Energy: 1.2990386644794758
Energy: 1.4288865706848124
Energy: 1.2990386644758125
Energy: 1.4288865706803349
Energy: 1.5267985241991453
Energy: 1.4347857484098754
Energy: 1.5267985241934467
Energy: 1.4347857484094684
Energy: 1.5267985242101354
Energy: 1.4347857484082474
Energy: 1.4215257454376633
Energy: 1.4269823201353835
Energy: 1.4215253217308113
Energy: 1.4269823201361975
Energy: 1.4215248956096436
Energy: 1.4269823201370118
Energy: 1.334518867579157
Energy: 1.3007855163752584
Energy: 1.3345188675811925
Energy: 1.3007855163781077
Energy: 1.334518867579971
Energy: 1.3007855163732231
Energy: 1.334930486621336
Energy: 1.2898195803183317
Energy: 1.334930486619708
Energy: 1.2898195803179244
Energy: 1.3349304866188938
Energy: 1.2898195803175174
Energy: 1.3914108522884157
Energy: 1.2456287713812986
Energy: 1.3914108522896367
Energy: 1.2456287713825198
Energy: 1.3914108522884157
Energy: 1.2456287713853689
Energy: 1.4144944128214625
Energy: 1.3621633265962256
Energy: 1.4144944128239045
Energy: 1.3621633265966326
Energy: 1.414494412827568
Energy: 1.3621633265958186
Energy: 1.2640863451100146
Energy: 1.4053218477957583
Energy: 1.2640863451059443
Energy: 1.4053218477965725
Energy: 1.2640863451079796
Energy: 1.4053218477957583
Energy: 1.392572802087752
Energy: 1.4598072227161456
Energy: 1.3925728020828674
Energy: 1.4598072227185876
Energy: 1.392572802090601
Energy: 1.4598072227185876
Energy: 1.4660824602797713
Energy: 1.3263778875610204
Energy: 1.466082460265932
Energy: 1.3263778875573569
Energy: 1.4660824602740727
Energy: 1.3263778875593921
Energy: 1.3999351320163922
Energy: 1.3611730242808529
Energy: 1.3999351320208695
Energy: 1.3611730242800386
Energy: 1.3999351320167992
Energy: 1.3611730242808529
Energy: 1.3394437991613484
Energy: 1.2810885328331933
Energy: 1.3394437991625694
Energy: 1.2810885328311583
Energy: 1.3394437991605344
Energy: 1.2810885328372639
Energy: 1.3014973840511934
Energy: 1.4353653733756846
Energy: 1.3014973840511934
Energy: 1.4353653733732423
Energy: 1.3014973840520077
Energy: 1.4353653733728353
Energy: 1.404868703225066
Energy: 1.4128474563137317
Energy: 1.404868703225473
Energy: 1.4128474563051834
Energy: 1.4048687032287293
Energy: 1.4128474562950075
Energy: 1.536194286399851
Energy: 1.3609025874526564
Energy: 1.53619428639863
Energy: 1.360902587451435
Energy: 1.536194286400258
Energy: 1.3609025874518423
Energy: 1.4051215214531065
Energy: 1.3570390688208571
Energy: 1.405121521449036
Energy: 1.3570390688188216
Energy: 1.405121521440895
Energy: 1.3570390688188216
Energy: 1.3015425890197652
Energy: 1.4353734960535476
Energy: 1.3015425890201722
Energy: 1.4353734960523261
Energy: 1.3015425890201722
Energy: 1.4353734960523261
Energy: 1.3394897986219478
Energy: 1.2808428909149276
Energy: 1.33948979862439
Energy: 1.2808428909132994
Energy: 1.339489798622355
Energy: 1.2808428909145204
Energy: 1.3997503441061836
Energy: 1.3611752539404312
Energy: 1.3997503441086256
Energy: 1.3611752539388031
Energy: 1.399750344111068
Energy: 1.3611752539396171

minimum gb energy = 1.2456287713812986 eV
minimum distance =  2.35183388892073 Angstroms
sigma value = 57


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

Energy: 0.7157200615344311
Energy: 0.7284800028781544
Energy: 0.7157200615344311
Energy: 0.7284800028790809
Energy: 0.7157200615335045
Energy: 0.7284800028790809
Energy: 0.8128197987930756
Energy: 0.7157913681875415
Energy: 0.8128197987940025
Energy: 0.7157913681875415
Energy: 0.8128197987930756
Energy: 0.7157913681875415
Energy: 0.7609814427285446
Energy: 0.8266875522189088
Energy: 0.760981442727618
Energy: 0.8266875522198353
Energy: 0.7609814427294712
Energy: 0.8266875522198353
Energy: 0.7306187681243249
Energy: 0.7146791252770764
Energy: 0.7306187681243249
Energy: 0.7146791252770764
Energy: 0.7306187681252515
Energy: 0.7146791252761499
Energy: 0.8131167281347846
Energy: 0.814967968565591
Energy: 0.8131167281347846
Energy: 0.814967968565591
Energy: 0.8131167281338579
Energy: 0.814967968565591
Energy: 0.7149367639135428
Energy: 0.7636687403607898
Energy: 0.7149367639144694
Energy: 0.7636687403607898
Energy: 0.7149367639135428
Energy: 0.7636687403607898
Energy: 0.7149461421776332
Energy: 0.7638655145832246
Energy: 0.7149461421785599
Energy: 0.763865514582298
Energy: 0.7149461421776332
Energy: 0.763865514582298
Energy: 0.8131521792626757
Energy: 0.8148299028648234
Energy: 0.8131521792645288
Energy: 0.8148299028657501
Energy: 0.8131521792636022
Energy: 0.8148299028657501
Energy: 0.7306055561112087
Energy: 0.7146775530345576
Energy: 0.7306055561075024
Energy: 0.7146775530354842
Energy: 0.7306055561075024
Energy: 0.7146775530354842
Energy: 0.7610053893177845
Energy: 0.8265074263862008
Energy: 0.7610053893177845
Energy: 0.8265074263862008
Energy: 0.7610053893187112
Energy: 0.8265074263862008
Energy: 0.8127895946992387
Energy: 0.715527116226448
Energy: 0.8127895947001654
Energy: 0.7155271162273746
Energy: 0.8127895947001654
Energy: 0.715527116226448
Energy: 0.7157200615344311
Energy: 0.7284800028790809
Energy: 0.7157200615344311
Energy: 0.7284800028790809
Energy: 0.7157200615344311
Energy: 0.7284800028790809
Energy: 0.8128197987940025
Energy: 0.7157913681866149
Energy: 0.8128197987940025
Energy: 0.7157913681866149
Energy: 0.8128197987930756
Energy: 0.7157913681866149
Energy: 0.760981442727618
Energy: 0.8266875522179822
Energy: 0.760981442727618
Energy: 0.8266875522189088
Energy: 0.760981442727618
Energy: 0.8266875522198353
Energy: 0.7306187681243249
Energy: 0.7146791252761499
Energy: 0.7306187681243249
Energy: 0.7146791252761499
Energy: 0.7306187681252515
Energy: 0.7146791252770764
Energy: 0.8131167281357111
Energy: 0.8149679685665174
Energy: 0.8131167281347846
Energy: 0.8149679685665174
Energy: 0.8131167281357111
Energy: 0.814967968565591
Energy: 0.7149367639144694
Energy: 0.7636687403598632
Energy: 0.7149367639144694
Energy: 0.7636687403607898
Energy: 0.7149367639135428
Energy: 0.7636687403598632
Energy: 0.7149461421776332
Energy: 0.763865514582298
Energy: 0.7149461421776332
Energy: 0.763865514582298
Energy: 0.7149461421785599
Energy: 0.763865514582298
Energy: 0.8131521792626757
Energy: 0.8148299028666766
Energy: 0.8131521792636022
Energy: 0.8148299028685299
Energy: 0.8131521792626757
Energy: 0.814829902867603

minimum gb energy = 0.7146775530345576 eV
minimum distance =  2.42583771231807 Angstroms
sigma value = 11


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

Energy: 1.1210657749916189
Energy: 1.0641917208863494
Energy: 1.1210657749922976
Energy: 1.064191720881598
Energy: 1.1210657749916189
Energy: 1.064191720874811
Energy: 1.254571368088107
Energy: 1.2328240622935995
Energy: 1.2545713680867496
Energy: 1.2328240622922424
Energy: 1.2545713680894643
Energy: 1.2328240622935995
Energy: 1.4977198574986081
Energy: 1.5955550675469914
Energy: 1.4977198574999657
Energy: 1.5955550675456336
Energy: 1.497719857501323
Energy: 1.5955550675463124
Energy: 1.5396482470776827
Energy: 1.0599522711576854
Energy: 1.5396482470763253
Energy: 1.0599522711583642
Energy: 1.539648247074968
Energy: 1.0599522711583642
Energy: 1.4516372098046728
Energy: 1.0288654949829341
Energy: 1.4516372098060304
Energy: 1.028865494982255
Energy: 1.4516372098060304
Energy: 1.028865494982255
Energy: 1.079537156953172
Energy: 1.0470389646223037
Energy: 1.0795371569565657
Energy: 1.0470389646223037
Energy: 1.0795371569545293
Energy: 1.0470389646223037
Energy: 1.0102738394456048
Energy: 1.094606559184947
Energy: 1.0102738394462836
Energy: 1.0946065591964855
Energy: 1.0102738394469626
Energy: 1.0946065591964855
Energy: 1.2747001211858475
Energy: 0.9884846089692755
Energy: 1.2747001211878837
Energy: 0.9884846089692755
Energy: 1.2747001211858475
Energy: 0.9884846089692755
Energy: 1.2791997414824365
Energy: 0.9951034266832778
Energy: 1.2791997414837941
Energy: 0.9951034266839563
Energy: 1.279199741481758
Energy: 0.9951034266839563
Energy: 1.0008853813702423
Energy: 1.5237689481361818
Energy: 1.000885381370921
Energy: 1.5237689481341457
Energy: 1.0008853813702423
Energy: 1.5237689481375394
Energy: 1.1162030118388064
Energy: 1.4293360985679682
Energy: 1.1162030118381279
Energy: 1.4293360985679682
Energy: 1.1162030118394852
Energy: 1.4293360985645744
Energy: 1.2526999990111618
Energy: 1.0272993209471935
Energy: 1.2526999990104832
Energy: 1.0272993209485506
Energy: 1.2526999990145555
Energy: 1.0272993209485506
Energy: 1.4948265142021333
Energy: 1.067898117955946
Energy: 1.4948265142034909
Energy: 1.067898117955946
Energy: 1.494826514204848
Energy: 1.067898117955946
Energy: 1.5022863926434613
Energy: 1.5658508832348506
Energy: 1.5022863926454975
Energy: 1.5658508832314568
Energy: 1.502286392642104
Energy: 1.5658508832314568
Energy: 1.2734442093381004
Energy: 1.0282277132391506
Energy: 1.2734442179766032
Energy: 1.028227713240508
Energy: 1.2734442258016732
Energy: 1.0282277132371147
Energy: 1.0760758830578596
Energy: 1.4808954659895512
Energy: 1.0760758830571808
Energy: 1.4808954659895512
Energy: 1.076075883056502
Energy: 1.48089546599023
Energy: 1.1886023787314182
Energy: 1.235926673207036
Energy: 1.1886023787348117
Energy: 1.235926673207036
Energy: 1.188602378734133
Energy: 1.235926673207036
Energy: 1.5381854120786471
Energy: 1.1418884712098594
Energy: 1.5381854120759324
Energy: 1.1418884711989996
Energy: 1.5381854120779683
Energy: 1.1418884711935697
Energy: 1.327461830224258
Energy: 1.053120058123166
Energy: 1.3274618302188281
Energy: 1.053120058123166
Energy: 1.3274618302249366
Energy: 1.0531200581224873
Energy: 1.2511860766938776
Energy: 1.0677531156605846
Energy: 1.251186076697271
Energy: 1.0677531156653357
Energy: 1.251186076695235
Energy: 1.0677531156619418
Energy: 1.004731882495786
Energy: 1.051595046142376
Energy: 1.0047318824971434
Energy: 1.0515950461416972
Energy: 1.0047318824951073
Energy: 1.051595046144412
Energy: 1.0558014713882635
Energy: 1.094312109007392
Energy: 1.0558014713936936
Energy: 1.0943121090060348
Energy: 1.0558014713889425
Energy: 1.0943121090067134
Energy: 1.2608003258150182
Energy: 1.2649940416046828
Energy: 1.2608003258156972
Energy: 1.2649940416053618
Energy: 1.2608003258136609
Energy: 1.2649940416053618
Energy: 1.0845310659411922
Energy: 1.2403865668422065
Energy: 1.0845310659432286
Energy: 1.2403865668415277
Energy: 1.0845310659364409
Energy: 1.2403865668408491
Energy: 1.0046640875946815
Energy: 1.5214230120309515
Energy: 1.0046640875919666
Energy: 1.5214230081591402
Energy: 1.0046640875933242
Energy: 1.5214229148019656
Energy: 2.02372249510593
Energy: 1.4096743037040707
Energy: 2.023722495105251
Energy: 1.409674303700677
Energy: 2.0237224951066084
Energy: 1.4096743037040707

minimum gb energy = 0.9884846089692755 eV
minimum distance =  2.29944813107751 Angstroms
sigma value = 41


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

Energy: 1.262964775539768
Energy: 1.1439561013531288
Energy: 1.262964775537628
Energy: 1.1439561013531288
Energy: 1.262964775539233
Energy: 1.1439561013531288
Energy: 1.1871458347115826
Energy: 1.1235105378195371
Energy: 1.1871458347089079
Energy: 1.123510537819002
Energy: 1.1871458347019535
Energy: 1.1235105378195371
Energy: 1.4108732756172897
Energy: 1.2820176428142456
Energy: 1.4108732756151499
Energy: 1.282017642813711
Energy: 1.4108732756151499
Energy: 1.282017642809431
Energy: 1.1715550515559294
Energy: 1.1036093520872556
Energy: 1.1715550515564643
Energy: 1.1036093520872556
Energy: 1.1715550515553945
Energy: 1.1036093520861858
Energy: 1.1106441265066977
Energy: 1.1841765524941705
Energy: 1.1106441265050928
Energy: 1.1841765524947054
Energy: 1.1106441265061628
Energy: 1.1841765524947054
Energy: 1.1659174417074132
Energy: 1.1391495534215428
Energy: 1.1659174417084828
Energy: 1.139149553428497
Energy: 1.165917441707948
Energy: 1.1391495534252876
Energy: 1.1065899738784915
Energy: 1.6960490886874766
Energy: 1.1065899738784915
Energy: 1.6960490886858715
Energy: 1.1065899738774214
Energy: 1.6960490886890813
Energy: 1.0694816307755888
Energy: 1.103516610968187
Energy: 1.0694816307755888
Energy: 1.103516610968187
Energy: 1.069481630776124
Energy: 1.103516610968187
Energy: 1.1254160797067811
Energy: 1.1784806578926783
Energy: 1.1254160797073163
Energy: 1.1784806578921432
Energy: 1.125416079707851
Energy: 1.1784806578926783
Energy: 1.1648726326777887
Energy: 1.1928084280387117
Energy: 1.1648726326783239
Energy: 1.1928084280344318
Energy: 1.1648726326772538
Energy: 1.1928084280274776
Energy: 1.1727883449487553
Energy: 1.2077024055467247
Energy: 1.172788344947685
Energy: 1.2077024055419099
Energy: 1.1727883449471503
Energy: 1.2077024055419099
Energy: 1.0621051009717952
Energy: 1.1070483479999915
Energy: 1.0621051009717952
Energy: 1.1070483479999915
Energy: 1.0621051009723301
Energy: 1.1070483480005266
Energy: 1.0675211726029359
Energy: 1.1031398368417404
Energy: 1.0675211726034708
Energy: 1.1031398368417404
Energy: 1.067521172602401
Energy: 1.1031398368417404
Energy: 1.0543310718418815
Energy: 1.1936856535462776
Energy: 1.0543310718413468
Energy: 1.1936856535494873
Energy: 1.0543310718429517
Energy: 1.1936856535473475
Energy: 1.172634685362542
Energy: 1.1396344563697427
Energy: 1.1726346853620073
Energy: 1.1396344563697427
Energy: 1.172634685363077
Energy: 1.1396344563692078
Energy: 1.0414165692521722
Energy: 1.19697472850685
Energy: 1.0414165692516373
Energy: 1.1969747285057801
Energy: 1.0414165692521722
Energy: 1.19697472850685
Energy: 1.0810357813136755
Energy: 1.103594488973497
Energy: 1.0810357813131406
Energy: 1.1035944889740317
Energy: 1.0810357813147453
Energy: 1.103594488972962
Energy: 1.1143098935177296
Energy: 1.2835221409541124
Energy: 1.1143098935166598
Energy: 1.2835221409407385
Energy: 1.1143098935177296
Energy: 1.283522140948763
Energy: 1.1965025359392087
Energy: 1.1236395928115936
Energy: 1.1965025359412997
Energy: 1.123639592810524
Energy: 1.1965025359412997
Energy: 1.123639592810524
Energy: 1.1671250733276364
Energy: 1.3226957349061363
Energy: 1.1671250733276364
Energy: 1.1194637419041307
Energy: 1.1671250733281713
Energy: 1.1080900039448947
Energy: 1.0839158527904247
Energy: 1.1242853056349094
Energy: 1.0839158527909596
Energy: 1.1242853056322344
Energy: 1.0839158527914947
Energy: 1.1242853056322344
Energy: 1.130925942009751
Energy: 1.267321784085842
Energy: 1.130925942009751
Energy: 1.267321784083702
Energy: 1.130925942022055
Energy: 1.267321784083702
Energy: 1.1716202488256415
Energy: 1.111757671134213
Energy: 1.1716202488251066
Energy: 1.111757671134213
Energy: 1.1716202488256415
Energy: 1.1117576711347479
Energy: 1.0408865276027652
Energy: 1.4109185150766397
Energy: 1.0408865276043702
Energy: 1.410918512538311
Energy: 1.0408865276043702
Energy: 1.4109185155375308
Energy: 1.0411990427235098
Energy: 1.1394759282774387
Energy: 1.04119904272244
Energy: 1.1394759282752989
Energy: 1.04119904272244
Energy: 1.139475928284928
Energy: 1.103081486558116
Energy: 1.1072375648852801
Energy: 1.103081486558651
Energy: 1.1072375648852801
Energy: 1.103081486558116
Energy: 1.1072375648847452
Energy: 1.0690729949310078
Energy: 1.1118293276763116
Energy: 1.0690729949326128
Energy: 1.1118293276757767
Energy: 1.069072994931543
Energy: 1.111829327675242
Energy: 1.1238242468045776
Energy: 1.2069163917255892
Energy: 1.123824246806134
Energy: 1.2069163917261243
Energy: 1.1238242468045776
Energy: 1.2048804961192594
Energy: 1.1653488366422025
Energy: 1.1264743696288764
Energy: 1.1653488366427376
Energy: 1.1264743696288764
Energy: 1.1653488366416673
Energy: 1.1264743696310162
Energy: 1.2607356342304583
Energy: 1.0446717152215919
Energy: 1.2607356342315283
Energy: 1.0446717152215919
Energy: 1.2607356342325982
Energy: 1.044671715222127
Energy: 1.06263730417465
Energy: 1.1075585776866321
Energy: 1.0626373041725101
Energy: 1.107558577688237
Energy: 1.062637304173045
Energy: 1.107558577687702
Energy: 1.128411942023151
Energy: 1.1660648645399918
Energy: 1.128411942023151
Energy: 1.1660648645399918
Energy: 1.1284119420220808
Energy: 1.166064864539457
Energy: 1.0412259174354672
Energy: 1.1230126842466182
Energy: 1.0412259174349323
Energy: 1.1230126842460832
Energy: 1.041225917434397
Energy: 1.1230126842460832

minimum gb energy = 1.0408865276027652 eV
minimum distance =  2.37655459609756 Angstroms
sigma value = 33


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

Energy: 1.2890629042937345
Energy: 1.1812733349523492
Energy: 1.289062904295236
Energy: 1.1812733349523492
Energy: 1.2890629042955772
Energy: 1.1812733349527589
Energy: 1.317176862507977
Energy: 1.0887587698948198
Energy: 1.3171768625083866
Energy: 1.0887587698970727
Energy: 1.3171768625053832
Energy: 1.0887587698963217
Energy: 1.2386844759688456
Energy: 1.3197678130129071
Energy: 1.2386844759805182
Energy: 1.3197678130121562
Energy: 1.2386844759703473
Energy: 1.3197678130121562
Energy: 1.1839193512010242
Energy: 1.1555955555446649
Energy: 1.1839193512032766
Energy: 1.1555955555454158
Energy: 1.1839193512040276
Energy: 1.1555955555450745
Energy: 1.1946962202404083
Energy: 1.1929240692885275
Energy: 1.194696220240818
Energy: 1.1929240692843632
Energy: 1.1946962202415687
Energy: 1.1929240693552872
Energy: 1.2186175850809615
Energy: 1.1798667241639562
Energy: 1.2186175850749543
Energy: 1.1798667241632053
Energy: 1.2186175850802103
Energy: 1.1798667241635465
Energy: 1.1662696726315775
Energy: 1.2675059709567842
Energy: 1.1662696726319188
Energy: 1.2675059709578762
Energy: 1.1662696726311677
Energy: 1.267505970956033
Energy: 1.2182053670133681
Energy: 1.2190319188611036
Energy: 1.21820536701487
Energy: 1.2190319188565983
Energy: 1.218205367016781
Energy: 1.219031918858851
Energy: 1.338191798307525
Energy: 1.2187720026541424
Energy: 1.338191798307525
Energy: 1.2187720026541424
Energy: 1.3381917983037708
Energy: 1.2187720026548934
Energy: 1.306290877830823
Energy: 1.1528909926865167
Energy: 1.306290877834987
Energy: 1.1528909926857662
Energy: 1.306290877822222
Energy: 1.152890992687268
Energy: 1.2244533804474964
Energy: 1.218217739953848
Energy: 1.224453380448998
Energy: 1.218217739953848
Energy: 1.2244533804509097
Energy: 1.2182177399542578
Energy: 1.1844203276068246
Energy: 1.1562377869640643
Energy: 1.1844203275981555
Energy: 1.1562377869640643
Energy: 1.1844203275974043
Energy: 1.156237786964815
Energy: 1.2200025031432695
Energy: 1.2271474098755997
Energy: 1.2200025031458634
Energy: 1.2271474098771014
Energy: 1.22000250314286
Energy: 1.2271474098755997
Energy: 1.218452595274325
Energy: 1.2177505639991453
Energy: 1.2184525952694785
Energy: 1.2177505640010566
Energy: 1.2184525952720724
Energy: 1.2177505640021489
Energy: 1.2394653573303782
Energy: 1.1603156058078195
Energy: 1.2394653573311292
Energy: 1.1603156058078195
Energy: 1.2394653573311292
Energy: 1.1603156058082291
Energy: 1.1537611631907878
Energy: 1.316954584916381
Energy: 1.153761163191129
Energy: 1.3169545849066195
Energy: 1.1537611631937914
Energy: 1.316954584911125
Energy: 1.230654580158996
Energy: 1.1275143456338659
Energy: 1.2306545801619995
Energy: 1.127514345633115
Energy: 1.2306545801619995
Energy: 1.1275143456353676
Energy: 1.1462382158477111
Energy: 1.1868834914629554
Energy: 1.1462382158477111
Energy: 1.1868834914637063
Energy: 1.1462382158469604
Energy: 1.1868834914641158
Energy: 1.3265356777796773
Energy: 1.1819040748846967
Energy: 1.3265356777815205
Energy: 1.181904074882444
Energy: 1.3265356777800186
Energy: 1.181904074883536
Energy: 1.1247473523723324
Energy: 1.177269171336417
Energy: 1.1247473523711717
Energy: 1.177269171336076
Energy: 1.1247473523745848
Energy: 1.177269171336076
Energy: 1.1295955502715487
Energy: 1.223139423149827
Energy: 1.1295955502730504
Energy: 1.2231394231558341
Energy: 1.129595550272709
Energy: 1.2231394231517383
Energy: 1.1172213118042382
Energy: 1.2762419455655551
Energy: 1.1172213118038288
Energy: 1.2762419455652139
Energy: 1.1172213118034875
Energy: 1.2762419455652139
Energy: 1.239754098597705
Energy: 1.099964104818418
Energy: 1.239754098598456
Energy: 1.0999641048195785
Energy: 1.239754098599548
Energy: 1.0999641048195785
Energy: 1.1258282352208029
Energy: 1.2298538836638346
Energy: 1.1258282352181406
Energy: 1.2298538836638346
Energy: 1.1258282352196423
Energy: 1.2298538836638346
Energy: 1.205067229419294
Energy: 1.1271082469338647
Energy: 1.2050672294197038
Energy: 1.1271082469334555
Energy: 1.2050672294230484
Energy: 1.1271082469353664
Energy: 1.1707567010250342
Energy: 1.2183494520913292
Energy: 1.170756701025785
Energy: 1.2183494520898275
Energy: 1.1707567010253754
Energy: 1.2183494520887352
Energy: 1.2764129955867527
Energy: 1.1742399836037398
Energy: 1.276412995587845
Energy: 1.1742399836041495
Energy: 1.2764129955840906
Energy: 1.1742399836044908
Energy: 1.2227257071296758
Energy: 1.1290659095192752
Energy: 1.222725707128174
Energy: 1.129065909522279
Energy: 1.2227257071311775
Energy: 1.129065909518934
Energy: 1.1780519835725929
Energy: 1.2299467888260929
Energy: 1.1780519835737533
Energy: 1.2299467888253421
Energy: 1.1780519835755965
Energy: 1.2299467888249325
Energy: 1.144165135542585
Energy: 1.3061941192824247
Energy: 1.1441651355414928
Energy: 1.306194119282766
Energy: 1.1441651355433358
Energy: 1.306194119282015
Energy: 1.1821732854718419
Energy: 1.1382797958037054
Energy: 1.1821732854733435
Energy: 1.1382797958037054
Energy: 1.1821732854695892
Energy: 1.1382797958037054
Energy: 1.1257900330422035
Energy: 1.2513889227337114
Energy: 1.125790033042954
Energy: 1.2513889227318002
Energy: 1.125790033040292
Energy: 1.2513889227329607
Energy: 1.1235519712116726
Energy: 1.155295653238373
Energy: 1.1235519712131743
Energy: 1.1552956532398748
Energy: 1.1235519712124236
Energy: 1.1552956532410352
Energy: 1.2312488784614326
Energy: 1.2490847469333806
Energy: 1.231248878458839
Energy: 1.2490847469341315
Energy: 1.2312488784580877
Energy: 1.249084746935565
Energy: 1.23147126361962
Energy: 1.2491335195651714
Energy: 1.231471263621463
Energy: 1.2491335195651714
Energy: 1.2314712636192104
Energy: 1.2491335195644202
Energy: 1.1235779498364131
Energy: 1.1549610785632318
Energy: 1.123577949838256
Energy: 1.1549610785624806
Energy: 1.1235779498364131
Energy: 1.1549610785617301
Energy: 1.1257247111197775
Energy: 1.2512060422220044
Energy: 1.1257247111231223
Energy: 1.251206042233677
Energy: 1.12572471112046
Energy: 1.2512060422314244
Energy: 1.1822643337278627
Energy: 1.138265490177737
Energy: 1.182264333728204
Energy: 1.1382654901788976
Energy: 1.1822643337286134
Energy: 1.1382654901788976
Energy: 1.1441944570268126
Energy: 1.306291641297517
Energy: 1.1441944570268126
Energy: 1.3062916412978585
Energy: 1.1441944570275635
Energy: 1.3062916412971077
Energy: 1.1781995678328663
Energy: 1.2298823915408563
Energy: 1.1781995678317059
Energy: 1.2298823915419483
Energy: 1.1781995678328663
Energy: 1.229882391541607
Energy: 1.2227437648009303
Energy: 1.128733268637714
Energy: 1.2227437648028412
Energy: 1.1287332686388745
Energy: 1.2227437648009303
Energy: 1.128733268637714
Energy: 1.2767177397044405
Energy: 1.174096408002431
Energy: 1.2767177397048501
Energy: 1.174096408003182
Energy: 1.2767177397051914
Energy: 1.174096408002431
Energy: 1.170758071335041
Energy: 1.218344381579131
Energy: 1.1707580713327888
Energy: 1.218344381577288
Energy: 1.1707580713342904
Energy: 1.218344381577288
Energy: 1.2426327172629057
Energy: 1.1273908889091497
Energy: 1.242632717263998
Energy: 1.1273908889094908
Energy: 1.2426327172644076
Energy: 1.1273908889099002
Energy: 1.1258091935761139
Energy: 1.2296782531630979
Energy: 1.1258091935772743
Energy: 1.2296782531638488
Energy: 1.1258091935783665
Energy: 1.2296782531676032
Energy: 1.239259424770864
Energy: 1.100081358838769
Energy: 1.239259424773526
Energy: 1.1000813588357654
Energy: 1.239259424773526
Energy: 1.1000813588414313
Energy: 1.1172253715020384
Energy: 1.2762812930348473
Energy: 1.1172253715020384
Energy: 1.2762812930333456
Energy: 1.117225371501697
Energy: 1.2762812930336869

minimum gb energy = 1.0887587698948198 eV
minimum distance =  2.36758450876088 Angstroms
sigma value = 67


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

Energy: 1.4066632815564706
Energy: 1.3057467054995777
Energy: 1.4066632815557005
Energy: 1.3057467054998342
Energy: 1.4066632815584665
Energy: 1.3057467054995777
Energy: 1.3056135011369578
Energy: 1.1395411871957524
Energy: 1.3056135011364445
Energy: 1.1395411871967507
Energy: 1.3056135011354466
Energy: 1.1395411871962657
Energy: 1.2936223693927935
Energy: 1.4848856365571337
Energy: 1.2936223693920237
Energy: 1.4848856365568772
Energy: 1.2936223693900277
Energy: 1.4848856365571337
Energy: 1.3054567774404682
Energy: 1.13954767086173
Energy: 1.3054567774447168
Energy: 1.139547670858736
Energy: 1.3054567774407246
Energy: 1.1395476708594774
Energy: 1.4066632815577251
Energy: 1.3057467055018301
Energy: 1.4066632815564706
Energy: 1.3057467055020868
Energy: 1.4066632815537048
Energy: 1.3057467055023435
Energy: 1.305613501130913
Energy: 1.1395411871947543
Energy: 1.3056135011344487
Energy: 1.1395411871942411
Energy: 1.305613501133194
Energy: 1.1395411871957524
Energy: 1.2936223693927935
Energy: 1.4848856365558794
Energy: 1.2936223693920237
Energy: 1.4848856365563639
Energy: 1.2936223693912825
Energy: 1.4848856365563639

minimum gb energy = 1.1395411871942411 eV
minimum distance =  2.37373716856473 Angstroms
sigma value = 3


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

Energy: 1.6013500793713107
Energy: 1.5025061227339125
Energy: 1.601350079374725
Energy: 1.5025061227339125
Energy: 1.601350079374725
Energy: 1.5025061227304979
Energy: 1.4446356929085489
Energy: 1.299427808456189
Energy: 1.4446356929085489
Energy: 1.299427808456189
Energy: 1.4446356929051343
Energy: 1.299427808456189
Energy: 1.4364362307446776
Energy: 1.6213989232507924
Energy: 1.4364362307412633
Energy: 1.6213989232507924
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Energy: 1.3931555732167997
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Energy: 1.4096502435476612
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Energy: 1.2680340558661203
Energy: 1.528745220205732
Energy: 1.268034055859291
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Energy: 1.2680340558627057
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Energy: 1.4113167991281323
Energy: 1.375993933884007
Energy: 1.411468983964512
Energy: 1.3759939338805927
Energy: 1.4114326524607232
Energy: 1.375993933884007
Energy: 1.3477602915283775
Energy: 1.2973842990639632
Energy: 1.3477602915283775
Energy: 1.2954688549661277
Energy: 1.347760291531792
Energy: 1.3002260806307784
Energy: 1.6298186455079549
Energy: 1.294432740321252
Energy: 1.6298186455079549
Energy: 1.294432740321252
Energy: 1.6298186455113695
Energy: 1.2944327403246667
Energy: 1.3538901484498427
Energy: 1.3720099557953422
Energy: 1.3538899793813757
Energy: 1.3720099557987568
Energy: 1.3538897052664036
Energy: 1.3720099557987568
Energy: 1.4217386789387243
Energy: 1.3032497458545547
Energy: 1.4220753105511625
Energy: 1.3032497458545547
Energy: 1.4247025756022296
Energy: 1.30324974585114
Energy: 1.4330867427223224
Energy: 1.4240093662168005
Energy: 1.4330867427189078
Energy: 1.4240093662168005
Energy: 1.4330867427189078
Energy: 1.424009366213386
Energy: 1.5289600219050201
Energy: 1.3366772385242716
Energy: 1.5289600219016055
Energy: 1.3366772385242716
Energy: 1.5289600219016055
Energy: 1.3366772385242716
Energy: 1.4400745500053656
Energy: 1.3715573041744575
Energy: 1.4400713974027564
Energy: 1.371557304171043
Energy: 1.440066259771673
Energy: 1.371557304171043
Energy: 1.4229009313327246
Energy: 1.3856551561608421
Energy: 1.4193236421228563
Energy: 1.3856475721639465
Energy: 1.4220514666703816
Energy: 1.3856252572131642
Energy: 1.3471701623726695
Energy: 1.3011116370034566
Energy: 1.3471701623726695
Energy: 1.3012625409969412
Energy: 1.3471701623726695
Energy: 1.3014919752179812
Energy: 1.441091918419489
Energy: 1.3714731960300972
Energy: 1.441091918419489
Energy: 1.3714731960335116
Energy: 1.4410919184229036
Energy: 1.3714731960335116
Energy: 1.427643223154884
Energy: 1.3719095446842577
Energy: 1.4272194116947887
Energy: 1.3719095446842577
Energy: 1.3357694646773042
Energy: 1.3719095446842577

minimum gb energy = 1.268034055859291 eV
minimum distance =  2.34618892407024 Angstroms
sigma value = 81


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

Energy: 1.6161582955525775
Energy: 1.6625955309847538
Energy: 1.4941761240846227
Energy: 1.6625955309889715
Energy: 1.6161582954996205
Energy: 1.6625955309922524
Energy: 1.3954337075364946
Energy: 1.7057101860447998
Energy: 1.3954337073392808
Energy: 1.6750130439704907
Energy: 1.3954337072966767
Energy: 1.7057101860532355
Energy: 1.591956854756739
Energy: 1.2958400824192269
Energy: 1.5950833867643506
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Energy: 1.591956854760488
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Energy: 1.4813632350620742
Energy: 1.5024940688594388
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Energy: 1.5024940688580333
Energy: 1.4813632350630113
Energy: 1.5024940688589703
Energy: 1.670729925842126
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Energy: 1.4128545852262426
Energy: 1.6707299258458752
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Energy: 1.5564366258121447
Energy: 1.4329405910690656
Energy: 1.5564366258140194
Energy: 1.5244728622431194
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Energy: 1.4329405910742208
Energy: 1.313475667903579
Energy: 1.3732863540544746
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Energy: 1.4999812568651063
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Energy: 1.4813999981767572
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Energy: 1.421370422376976
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Energy: 1.6609065172800286
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Energy: 1.5540964236781545
Energy: 1.5637262838316526
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Energy: 1.5540964236739365
Energy: 1.6775971139735157
Energy: 1.4281196212755762
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Energy: 1.6775971139749213
Energy: 1.428119621270421
Energy: 1.6861428332931878
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Energy: 1.670483499851339
Energy: 1.4349280890783611
Energy: 1.6861428332941253
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Energy: 1.5088798854078678
Energy: 1.2966813505684636
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Energy: 1.2969356839398338
Energy: 1.5088798854083363
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Energy: 1.408698646419815
Energy: 1.6603526268369246
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Energy: 1.660352626833644
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Energy: 1.6603526268387987
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Energy: 1.4631472059163617
Energy: 1.3660089515884324
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Energy: 1.5714787929251346
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Energy: 1.3020020868090507
Energy: 1.3689099971157246
Energy: 1.3020020868067073
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Energy: 1.6639140608665695
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Energy: 1.6581459807893049
Energy: 1.6573639113578815
Energy: 1.6639140608656322
Energy: 1.2576689870392503
Energy: 1.500360076356097
Energy: 1.2577888868218876
Energy: 1.5003600763565654
Energy: 1.285177053919042
Energy: 1.5003600763514104
Energy: 1.5627952109538386
Energy: 1.6570037089947736
Energy: 1.5627952109486836
Energy: 1.6569939377515168
Energy: 1.5627952109430598
Energy: 1.6569813857894287
Energy: 1.4919763944817788
Energy: 1.4646061613759176
Energy: 1.4919763944874023
Energy: 1.464606161372637
Energy: 1.49197639449162
Energy: 1.4646061613749803
Energy: 1.471849422881641
Energy: 1.4317785886587016
Energy: 1.471849422860552
Energy: 1.4816627680254588
Energy: 1.4718494228366514
Energy: 1.4317785886671373
Energy: 1.6662959896563316
Energy: 1.4105971164147755
Energy: 1.6497610509804197
Energy: 1.4105971164213364
Energy: 1.666295989649302
Energy: 1.4105971164077458
Energy: 1.2987721723568744
Energy: 1.5028745521709903
Energy: 1.2987721723554682
Energy: 1.5025607972958648
Energy: 1.2987721723554682
Energy: 1.5028745521742712
Energy: 1.3268443467395428
Energy: 1.5603255961161637
Energy: 1.3268443467386055
Energy: 1.560325596117101
Energy: 1.326844346744698
Energy: 1.5603255961138205
Energy: 1.4110260175061662
Energy: 1.6606490988617666
Energy: 1.4110260175066347
Energy: 1.6606490988594236
Energy: 1.4110260175113214
Energy: 1.6606490988631726
Energy: 1.5661473164196857
Energy: 1.6255430643438584
Energy: 1.5615898563001973
Energy: 1.616698776566386
Energy: 1.5661473164262467
Energy: 1.625543064347139
Energy: 1.4821814911032714
Energy: 1.415067032505823
Energy: 1.519708688978766
Energy: 1.4143959085155777
Energy: 1.4821814911070204
Energy: 1.415067032509572
Energy: 1.6454178935812778
Energy: 1.8018387450592435
Energy: 1.6535881866744413
Energy: 1.80183874505362
Energy: 1.6454178935812778
Energy: 1.801838745055963
Energy: 1.4914702223041079
Energy: 1.511705356315199
Energy: 1.4932267159248735
Energy: 1.5117053563161362
Energy: 1.4931390525590995
Energy: 1.5117053563189482
Energy: 1.6783257603270962
Energy: 1.42767089084627
Energy: 1.678325760323347
Energy: 1.4276708908495506
Energy: 1.6783257603228785
Energy: 1.427670890847676
Energy: 1.617967854331851
Energy: 1.4883523420300724
Energy: 1.6179678543360687
Energy: 1.4413140851308506
Energy: 1.6179678543323195
Energy: 1.4883523420310096

minimum gb energy = 1.2576689870392503 eV
minimum distance =  2.24172043250799 Angstroms
sigma value = 43


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

Energy: 1.5888905996074676
Energy: 1.5045941115814807
Energy: 1.5888905996063165
Energy: 1.5045941115814807
Energy: 1.5888905996080434
Energy: 1.5045941115814807
Energy: 1.4267826837803141
Energy: 1.3299118613367882
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Energy: 1.3299118613367882
Energy: 1.5804179470400839
Energy: 1.5948175423337416
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Energy: 1.367940882362925
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Energy: 1.3258676359705734
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Energy: 1.4308088849805642
Energy: 1.360810144703301
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Energy: 1.49778093526195
Energy: 1.5560764219214303
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Energy: 1.3027757513706781
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Energy: 1.339398823782293
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Energy: 1.3885261162647855
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Energy: 1.4089376549152959
Energy: 1.408188858018495
Energy: 1.4089376549135688
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Energy: 1.4080275441776422
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Energy: 1.3604791585003473
Energy: 1.4469377426242402
Energy: 1.3604791585014984
Energy: 1.4469286431752144
Energy: 1.3604791585003473
Energy: 1.4469114792997846
Energy: 1.3643151119215093
Energy: 1.304784955789826
Energy: 1.3639830053095592
Energy: 1.3051245872638817
Energy: 1.3641720311188883
Energy: 1.3047386638418914
Energy: 1.3662548667760401
Energy: 1.3241356573955667
Energy: 1.368093560476944
Energy: 1.3241356573944156
Energy: 1.368161820479737
Energy: 1.3241356573949912
Energy: 1.68868197185639
Energy: 1.4674266173042139
Energy: 1.6886819718552388
Energy: 1.4674266173042139
Energy: 1.6886819718558146
Energy: 1.4674266173047892
Energy: 1.6159551954084783
Energy: 1.430815540009933
Energy: 1.6159551954159619
Energy: 1.4308155400105087
Energy: 1.6159551954188398
Energy: 1.430815540009933
Energy: 1.3698094958930953
Energy: 1.4226974333399194
Energy: 1.3730772168426673
Energy: 1.4226974333399194
Energy: 1.3738819573796168
Energy: 1.4226974333399194
Energy: 1.3660667288888204
Energy: 1.390361941795249
Energy: 1.3651229918535623
Energy: 1.390361941795249
Energy: 1.364779410162708
Energy: 1.3903619417940978
Energy: 1.499867014399483
Energy: 1.2768809226581097
Energy: 1.499867014399483
Energy: 1.2773402305544426
Energy: 1.499867014399483
Energy: 1.2772502841181212
Energy: 1.2766515578214575
Energy: 1.4467984075475138
Energy: 1.2766515578220332
Energy: 1.4467984075480635
Energy: 1.2766515578226085
Energy: 1.4467984075469382
Energy: 1.485155417807857
Energy: 1.4312326102138326
Energy: 1.4856382029615993
Energy: 1.4312326102144086
Energy: 1.4852424284200199
Energy: 1.4312326102138326
Energy: 1.4068266451952154
Energy: 1.4304128857863079
Energy: 1.4068266451957911
Energy: 1.4304128857863079
Energy: 1.4068266451957911
Energy: 1.4304128857857321
Energy: 1.5000738660372013
Energy: 1.489441681538569
Energy: 1.5000738660366257
Energy: 1.489441681538569
Energy: 1.5000738660372013
Energy: 1.4894416815368419
Energy: 1.4153619273822045
Energy: 1.3295383506513054
Energy: 1.4153511423070608
Energy: 1.3295383506513054
Energy: 1.2633621594566427
Energy: 1.3295383506507297
Energy: 1.401121032717446
Energy: 1.3023842696250982
Energy: 1.4187947097371074
Energy: 1.3023842696250982
Energy: 1.4185498768788845
Energy: 1.3023842696250982
Energy: 1.4065781578075331
Energy: 1.3056639340698346
Energy: 1.4065781578069572
Energy: 1.3070510216502909
Energy: 1.4065781578075331
Energy: 1.3068645999854904
Energy: 1.5244671059710349
Energy: 1.5564516584366073
Energy: 1.5244671059716106
Energy: 1.5564516584366073
Energy: 1.5244671059716106
Energy: 1.5564516584366073
Energy: 1.4295151532262
Energy: 1.431305948638613
Energy: 1.3597439767106532
Energy: 1.4313059486391888
Energy: 1.3597087411315234
Energy: 1.4313059486391888

minimum gb energy = 1.2633621594566427 eV
minimum distance =  2.36992409843893 Angstroms
sigma value = 57


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

Energy: 1.6340849405745557
Energy: 1.563166025755703
Energy: 1.6570299630550374
Energy: 1.5631660257542124
Energy: 1.6352291065574722
Energy: 1.5631660257549576
Energy: 1.7038159666848554
Energy: 1.4686492320660725
Energy: 1.7038159666848554
Energy: 1.4686492320668176
Energy: 1.7038159666870911
Energy: 1.4686492320675633
Energy: 1.669171382980994
Energy: 1.6404312837670194
Energy: 1.668896101906521
Energy: 1.640431283764038
Energy: 1.6691713847742062
Energy: 1.640431283764038
Energy: 1.4500740518797135
Energy: 1.6257563601179994
Energy: 1.4500740518804591
Energy: 1.6257542190153862
Energy: 1.4500740518797135
Energy: 1.6257501011710922
Energy: 1.5370029643982284
Energy: 1.2363946816395175
Energy: 1.5370029643967376
Energy: 1.2679194834411114
Energy: 1.537002964395247
Energy: 1.2577583290393177
Energy: 1.6351940274029038
Energy: 1.3169984238946097
Energy: 1.4287956836932802
Energy: 1.316998423892374
Energy: 1.4336499992869598
Energy: 1.316998423892374
Energy: 1.6005419861311356
Energy: 1.581086380890449
Energy: 1.6005419861318808
Energy: 1.5810863806878188
Energy: 1.6005419861318808
Energy: 1.5810863800418833
Energy: 1.449904410049389
Energy: 1.5697695414545418
Energy: 1.4499044100501342
Energy: 1.5697695414545418
Energy: 1.4499044100508796
Energy: 1.5697695414537967
Energy: 1.5941983678164109
Energy: 1.4696384106638285
Energy: 1.5941983678141747
Energy: 1.4696384106638285
Energy: 1.5941983678111935
Energy: 1.469638410663083
Energy: 1.4148824606007606
Energy: 1.4806961645176608
Energy: 1.4149757478847214
Energy: 1.480696164518406
Energy: 1.4148824605962889
Energy: 1.4806961645176608
Energy: 1.475068605964683
Energy: 1.6265670681975999
Energy: 1.4750686059676643
Energy: 1.626567066405878
Energy: 1.475068605966919
Energy: 1.6265670628097302
Energy: 1.5222005664230833
Energy: 1.2572927972397525
Energy: 1.5222005664119034
Energy: 1.2569903226085644
Energy: 1.5222005664119034
Energy: 1.2566090265776166
Energy: 1.3599165393119228
Energy: 1.4824459289529592
Energy: 1.3588885523104697
Energy: 1.482445928957431
Energy: 1.358748328705266
Energy: 1.4824459289589216
Energy: 1.6011310178856404
Energy: 1.4657078477191587
Energy: 1.3117923469532813
Energy: 1.4657078479649843
Energy: 1.6011310178856404
Energy: 1.465707848020139
Energy: 1.5610510308062853
Energy: 1.4579534102356866
Energy: 1.3156151637514713
Energy: 1.4579534102371774
Energy: 1.5610510308062853
Energy: 1.457953410238668
Energy: 1.732851568018004
Energy: 1.5050230942443303
Energy: 1.7328515680194947
Energy: 1.5050230942480571
Energy: 1.7328515680194947
Energy: 1.5050230942473117
Energy: 1.4148357254020467
Energy: 1.4823437060845748
Energy: 1.41477249153064
Energy: 1.4823437060830842
Energy: 1.414835725400556
Energy: 1.4823437060860654
Energy: 1.472988091039756
Energy: 1.1666101612647546
Energy: 1.472988091042737
Energy: 1.1666101612662454
Energy: 1.4729880910419921
Energy: 1.1666101612647546
Energy: 1.413401253089991
Energy: 1.439612963118907
Energy: 1.4134012530914817
Energy: 1.4396129631181613
Energy: 1.413401253092227
Energy: 1.4396129631181613
Energy: 1.6319318212169076
Energy: 1.5288302124406927
Energy: 1.6319318212176528
Energy: 1.5288308455771287
Energy: 1.631931821219889
Energy: 1.5288171610058185
Energy: 1.3158558812557506
Energy: 1.4675081460040187
Energy: 1.3158558812564958
Energy: 1.46750814586769
Energy: 1.3158558812550052
Energy: 1.4675081459392083
Energy: 1.4795247219493195
Energy: 1.4757018255852539
Energy: 1.4795247219411207
Energy: 1.475701825579291
Energy: 1.4795247219537915
Energy: 1.4757018255800363
Energy: 1.6418757023219046
Energy: 1.4696219436963691
Energy: 1.642703112390727
Energy: 1.4696219436971145
Energy: 1.6418757023226498
Energy: 1.4696219436978597
Energy: 1.5186721475628824
Energy: 1.44809776199557
Energy: 1.5188793572461088
Energy: 1.540324514896645
Energy: 1.5186720873775899
Energy: 1.5406373021516448

minimum gb energy = 1.1666101612647546 eV
minimum distance =  2.26093569389721 Angstroms
sigma value = 17


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

Energy: 1.3158344789347847
Energy: 1.2641961374869541
Energy: 1.3158344789358385
Energy: 1.2641961374859
Energy: 1.3158344789368928
Energy: 1.2641961374869541
Energy: 1.2702032009272506
Energy: 1.2465925078078388
Energy: 1.2702032009261968
Energy: 1.2465925078088929
Energy: 1.2702032009261968
Energy: 1.2465925078099471
Energy: 1.3502209604851092
Energy: 1.508400356806561
Energy: 1.3502099833871395
Energy: 1.5084003568076148
Energy: 1.3499466595276228
Energy: 1.5084003568076148
Energy: 1.1372941600177016
Energy: 1.241382915845947
Energy: 1.1372941600166477
Energy: 1.2403838678947532
Energy: 1.1372941600166477
Energy: 1.2431817873508226
Energy: 1.451054177145871
Energy: 1.3376476815018883
Energy: 1.4510541768950993
Energy: 1.3373621206230502
Energy: 1.4510541723404353
Energy: 1.3373669240161454
Energy: 1.1295663475552764
Energy: 1.4983820244335413
Energy: 1.1310678105729342
Energy: 1.4983820244335413
Energy: 1.1310603779194708
Energy: 1.4983820244335413
Energy: 1.208700886971089
Energy: 1.296831814117388
Energy: 1.208700886970035
Energy: 1.2968318141184423
Energy: 1.208700886970035
Energy: 1.2968318141184423
Energy: 1.137016970434783
Energy: 1.3795248479960067
Energy: 1.137016970434783
Energy: 1.3795248479938989
Energy: 1.137016970434783
Energy: 1.3795248479896824
Energy: 1.1235986986104096
Energy: 1.2298923865539781
Energy: 1.1236513447528027
Energy: 1.2298923865761133
Energy: 1.1236357313528291
Energy: 1.229892386558194
Energy: 1.3388231089825162
Energy: 1.2667632254543995
Energy: 1.338823108981462
Energy: 1.2667632254554535
Energy: 1.338823108981462
Energy: 1.2667632254554535
Energy: 1.316369951203058
Energy: 1.2382749050190665
Energy: 1.316369951203058
Energy: 1.2382749050222288
Energy: 1.316369951203058
Energy: 1.2382749050211748
Energy: 1.2856874313699473
Energy: 1.24527050418463
Energy: 1.2856874313636233
Energy: 1.24527050418463
Energy: 1.2856874313646771
Energy: 1.2452705041835757
Energy: 1.1398902831421867
Energy: 1.371381145762574
Energy: 1.1398902831421867
Energy: 1.371381145762574
Energy: 1.1398902831400788
Energy: 1.371381145762574
Energy: 1.33793326969836
Energy: 1.2812687027982368
Energy: 1.3379332696994137
Energy: 1.2812633501849302
Energy: 1.33793326969836
Energy: 1.2812554472688389
Energy: 1.2427238108008116
Energy: 1.180616640708285
Energy: 1.2413163557874751
Energy: 1.1806166407093388
Energy: 1.2405983577057778
Energy: 1.180616640708285
Energy: 1.1350813264402269
Energy: 1.374620245916433
Energy: 1.1363108416129712
Energy: 1.374620245916433
Energy: 1.1363721722783624
Energy: 1.3746202459174872
Energy: 1.3359952170814726
Energy: 1.41444208595698
Energy: 1.3359952170825267
Energy: 1.41444208595698
Energy: 1.3359952170825267
Energy: 1.414442085960142

minimum gb energy = 1.1235986986104096 eV
minimum distance =  2.31388265630315 Angstroms
sigma value = 17


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

Energy: 1.1903622548793353
Energy: 1.2518784309764877
Energy: 1.1903622548764863
Energy: 1.2518784309764877
Energy: 1.1903622548773003
Energy: 1.2518784309764877
Energy: 1.196819396331494
Energy: 1.2298843539613562
Energy: 1.196819396334343
Energy: 1.2298843539617632
Energy: 1.196819396333529
Energy: 1.2298843539613562
Energy: 1.2707473693661606
Energy: 1.3194892097254345
Energy: 1.2707471439925477
Energy: 1.3194892097250273
Energy: 1.2704595713924585
Energy: 1.3194892097250273
Energy: 1.086337938137555
Energy: 1.3770547024454174
Energy: 1.0863379381363338
Energy: 1.3770547024503017
Energy: 1.0863379381359268
Energy: 1.3770547024503017
Energy: 1.222667339569466
Energy: 1.2023585531550667
Energy: 1.2226673395670238
Energy: 1.202358553155474
Energy: 1.2226673395621395
Energy: 1.2023585531550667
Energy: 1.2766656742193099
Energy: 1.2459511062552369
Energy: 1.2766656736009014
Energy: 1.2459511062552369
Energy: 1.2766656731090096
Energy: 1.2459511062560509
Energy: 1.1858222596355978
Energy: 1.3059691172758292
Energy: 1.1858222596347838
Energy: 1.3059691172770502
Energy: 1.1858222596347838
Energy: 1.3059691172762362
Energy: 1.2904073074666105
Energy: 1.2835055031389468
Energy: 1.2904073074694598
Energy: 1.2835055031393536
Energy: 1.2904073074596907
Energy: 1.2835055031422031
Energy: 1.3231086898933395
Energy: 1.309067861664246
Energy: 1.323108689889676
Energy: 1.30906786166506
Energy: 1.3231086898913043
Energy: 1.3090678616646532
Energy: 1.185857530427296
Energy: 1.1630593559820557
Energy: 1.185857530426075
Energy: 1.1630593559824627
Energy: 1.185857530427296
Energy: 1.1630593559824627
Energy: 1.0871749633382861
Energy: 1.2540688586534772
Energy: 1.0871749633391001
Energy: 1.2540688586538844
Energy: 1.0871749633399144
Energy: 1.2540688586498139
Energy: 1.4340466933104035
Energy: 1.2558341654738079
Energy: 1.4340466933112177
Energy: 1.2558341654742151
Energy: 1.4340466933087754
Energy: 1.2558341654729939
Energy: 1.283782407483054
Energy: 1.198775457606326
Energy: 1.2837824074826472
Energy: 1.1987754576055119
Energy: 1.28378240748224
Energy: 1.1987754576075473
Energy: 1.2840005314231127
Energy: 1.2525231277555984
Energy: 1.2840005314247407
Energy: 1.2525231277551914
Energy: 1.2840005314235194
Energy: 1.2525231277555984
Energy: 1.2085070339304322
Energy: 1.1695212814876332
Energy: 1.2085070337086683
Energy: 1.1695212814860052
Energy: 1.208507033117902
Energy: 1.1695212814876332
Energy: 1.190907822359234
Energy: 1.2690926869577237
Energy: 1.1909078223612692
Energy: 1.2690926869569465
Energy: 1.1909078223580127
Energy: 1.2690926869573165
Energy: 1.2842197344824746
Energy: 1.3600143552293211
Energy: 1.2842197344804764
Energy: 1.3600143552293211
Energy: 1.2842197344812536
Energy: 1.360014355228507
Energy: 1.3690672425419093
Energy: 1.3115387774170313
Energy: 1.3690672419727161
Energy: 1.3115387774182525
Energy: 1.369067298403208
Energy: 1.3115387774166245
Energy: 1.327895158668961
Energy: 1.2706445238545794
Energy: 1.3278951586791368
Energy: 1.2706445238529513
Energy: 1.3278951586730312
Energy: 1.2706445238529513
Energy: 1.2830133204219516
Energy: 1.2983603513932633
Energy: 1.2830133204207306
Energy: 1.2983603513928565
Energy: 1.2830133204215446
Energy: 1.2983603513948916
Energy: 1.3278146125976875
Energy: 1.2704369376311178
Energy: 1.3278146126005366
Energy: 1.2704369376282687
Energy: 1.3278146125985015
Energy: 1.2704369376294895
Energy: 1.3690119084670236
Energy: 1.3119035228996219
Energy: 1.369011903128183
Energy: 1.3119035229012501
Energy: 1.3690118994753486
Energy: 1.3119035229016571
Energy: 1.2837954531447497
Energy: 1.3599203929988444
Energy: 1.2837954531419002
Energy: 1.3599203929992512
Energy: 1.2837954531423075
Energy: 1.3599203929996586
Energy: 1.1907246002562042
Energy: 1.3413354558269017
Energy: 1.1907246002521337
Energy: 1.3413354558256805
Energy: 1.1907246002553902
Energy: 1.341335455828937
Energy: 1.2084970517650129
Energy: 1.169783399257717
Energy: 1.2084970513703301
Energy: 1.169783399258938
Energy: 1.2084970508235242
Energy: 1.169783399260973
Energy: 1.284413976363904
Energy: 1.2524299755152841
Energy: 1.2844139763671603
Energy: 1.2524299755152841
Energy: 1.284413976365939
Energy: 1.252429975513656
Energy: 1.2836371177973742
Energy: 1.1987761457276227
Energy: 1.2836371177990022
Energy: 1.1987761457292507
Energy: 1.283637117796967
Energy: 1.1987761457288437
Energy: 1.434092277075668
Energy: 1.2558989733072756
Energy: 1.4340922770728188
Energy: 1.2558989733072756
Energy: 1.4340922770720046
Energy: 1.2558989733072756
Energy: 1.087429600868967
Energy: 1.2536568695768564
Energy: 1.087429600869781
Energy: 1.2536568695731931
Energy: 1.087429600869781
Energy: 1.2536568695691226
Energy: 1.1857468403561517
Energy: 1.332695484555872
Energy: 1.1857468403561517
Energy: 1.3326954845575
Energy: 1.185746840356559
Energy: 1.3326954845570933
Energy: 1.3230887900293025
Energy: 1.3088850112768167
Energy: 1.3230887900309307
Energy: 1.3088850112755954
Energy: 1.3230887900301167
Energy: 1.3088850112735604
Energy: 1.2866187328414018
Energy: 1.2836108664450507
Energy: 1.2866187328389596
Energy: 1.283610866445458
Energy: 1.2866187328344818
Energy: 1.2836108664515264
Energy: 1.1857254093263803
Energy: 1.2950159623367141
Energy: 1.185725409325566
Energy: 1.2950159623383424
Energy: 1.1857254093259735
Energy: 1.2950159623330508
Energy: 1.276454774258932
Energy: 1.227513143588175
Energy: 1.276454773334946
Energy: 1.227513143587768
Energy: 1.2764547716655914
Energy: 1.2275131435889892
Energy: 1.2130253679286105
Energy: 1.202390954885928
Energy: 1.2130253679355303
Energy: 1.2023909548851137
Energy: 1.2130253679371585
Energy: 1.202390954885521
Energy: 1.0864856434579528
Energy: 1.349418830018332
Energy: 1.0864856434563617
Energy: 1.3494188300215884
Energy: 1.08648564345836
Energy: 1.3494188300118195
Energy: 1.2708468774395676
Energy: 1.3194196207990774
Energy: 1.2708466153121087
Energy: 1.3194196207982634
Energy: 1.2708461197530798
Energy: 1.3194196207990774
Energy: 1.1966702926612227
Energy: 1.227733865945954
Energy: 1.1966702926616297
Energy: 1.2277338659451402
Energy: 1.1966702926620367
Energy: 1.2277338659451402
Energy: 1.190362254874858
Energy: 1.251878430970789
Energy: 1.1903622548716015
Energy: 1.251878430970789
Energy: 1.1903622548732298
Energy: 1.251878430970789
Energy: 1.1968193963294587
Energy: 1.2061428927753115
Energy: 1.1968193963294587
Energy: 1.2061428927753115
Energy: 1.1968193963274605
Energy: 1.2061428927753115
Energy: 1.270747308180305
Energy: 1.3194892097250273
Energy: 1.2707470922275377
Energy: 1.3194892097250273
Energy: 1.270458982433878
Energy: 1.3194892097254345
Energy: 1.0863379381391833
Energy: 1.377054702451116
Energy: 1.0863379381412184
Energy: 1.3770547024539652
Energy: 1.0863379381383693
Energy: 1.37705470245193
Energy: 1.2226673395727226
Energy: 1.20235855315466
Energy: 1.2226673395637675
Energy: 1.20235855315466
Energy: 1.2226673395633603
Energy: 1.20235855315466

minimum gb energy = 1.0863379381359268 eV
minimum distance =  2.3415705339234 Angstroms
sigma value = 57


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

Energy: 1.1705782368457156
Energy: 1.1422793943050833
Energy: 1.170578236847041
Energy: 1.1422793943050833
Energy: 1.170578236847041
Energy: 1.1422793943044205
Energy: 1.1343488685884684
Energy: 1.113553375465428
Energy: 1.134348868581178
Energy: 1.113553375465428
Energy: 1.134348868584492
Energy: 1.1135533754647655
Energy: 1.200279051243154
Energy: 1.2153549243623034
Energy: 1.2002790511854935
Energy: 1.2153549243623034
Energy: 1.200279051019261
Energy: 1.2153549243623034
Energy: 1.1550288584763881
Energy: 1.264335584658721
Energy: 1.1550288584744
Energy: 1.2643355846600466
Energy: 1.1550288584757253
Energy: 1.264335584661372
Energy: 1.1362796278340512
Energy: 1.0604866784297382
Energy: 1.1362796278386904
Energy: 1.060486678430401
Energy: 1.1362796278386904
Energy: 1.0604866784297382
Energy: 1.296482207348578
Energy: 1.1285545188392554
Energy: 1.2964822073505662
Energy: 1.1285545188405812
Energy: 1.296482207348578
Energy: 1.1285545188392554
Energy: 1.0867038073927693
Energy: 1.22596300437181
Energy: 1.0867038073921067
Energy: 1.225963004374461
Energy: 1.086703807390781
Energy: 1.2259630043731353
Energy: 1.1593750305779538
Energy: 1.1936213824182025
Energy: 1.159375030573977
Energy: 1.1936191592818006
Energy: 1.1593750305779538
Energy: 1.1932814914670125
Energy: 1.156044580750731
Energy: 1.1312433246992635
Energy: 1.156044580751394
Energy: 1.131243324697938
Energy: 1.156044580751394
Energy: 1.1312433246999265
Energy: 1.1448574750111085
Energy: 1.1783127478176711
Energy: 1.1448574750104459
Energy: 1.1783127478176711
Energy: 1.1448574750117713
Energy: 1.1783127478156827
Energy: 1.074648422636435
Energy: 1.2028455102708946
Energy: 1.0746484226404116
Energy: 1.2028455102695692
Energy: 1.0746484226384232
Energy: 1.2028455102708946
Energy: 1.2060318660622618
Energy: 1.08619297181659
Energy: 1.20603186606425
Energy: 1.0861929718172527
Energy: 1.2060318660629243
Energy: 1.08619297181659
Energy: 1.1437769905587072
Energy: 1.2204113156355714
Energy: 1.1437769905620212
Energy: 1.2204113156355714
Energy: 1.1437769905580444
Energy: 1.220411315639548
Energy: 1.09852950529905
Energy: 1.201609868524274
Energy: 1.09852950529905
Energy: 1.201609868521623
Energy: 1.0985295053003152
Energy: 1.201609868518309
Energy: 1.2786842902169675
Energy: 1.1537726317280554
Energy: 1.278684290215642
Energy: 1.1537726317273929
Energy: 1.278684290214979
Energy: 1.1537726317260673
Energy: 1.1410236216076537
Energy: 1.1310200014575322
Energy: 1.1410236216076537
Energy: 1.1310200014581953
Energy: 1.1410236216076537
Energy: 1.1310200014588578
Energy: 1.183697866492603
Energy: 1.268444348834568
Energy: 1.1836978664912774
Energy: 1.2684443488339052
Energy: 1.1836978664912774
Energy: 1.2684443488358939
Energy: 1.1293109098959102
Energy: 1.2067958023194882
Energy: 1.1293109098753646
Energy: 1.206795802325453
Energy: 1.12931090979987
Energy: 1.2067958023247902
Energy: 1.1121410270321352
Energy: 1.191487718151388
Energy: 1.112141027032798
Energy: 1.1914877181407841
Energy: 1.1121410270314727
Energy: 1.1914877181533765
Energy: 1.0981944650367643
Energy: 1.2557211048484294
Energy: 1.0981944650354387
Energy: 1.255721104849092
Energy: 1.0981944650380897
Energy: 1.2557211048477661
Energy: 1.1737713633926885
Energy: 1.1984764122685574
Energy: 1.1737713633887121
Energy: 1.1984764122685574
Energy: 1.1737713633900375
Energy: 1.1984764122705454
Energy: 1.075001300000981
Energy: 1.1935148220236032
Energy: 1.075001300000981
Energy: 1.193514822024266
Energy: 1.075001300001644
Energy: 1.193514822024266
Energy: 1.1829005895769298
Energy: 1.2074358143805046
Energy: 1.1829005895802438
Energy: 1.2074358143818302
Energy: 1.1829005895789182
Energy: 1.2074358143805046
Energy: 1.1866456914399768
Energy: 1.1910841670575611
Energy: 1.1866456912524754
Energy: 1.1910841670641283
Energy: 1.1866456911808971
Energy: 1.1910841670602121
Energy: 1.1858753266913353
Energy: 1.4154196927527205
Energy: 1.1858752764583598
Energy: 1.4154196927520577
Energy: 1.1858752094755765
Energy: 1.4154196927513951
Energy: 1.1403475469460014
Energy: 1.2057115080427023
Energy: 1.1403475469486524
Energy: 1.2057115080427023
Energy: 1.1403475469473268
Energy: 1.2057115080427023
Energy: 1.0891481459146006
Energy: 1.191591607115917
Energy: 1.0891481459165893
Energy: 1.1915916071152541
Energy: 1.0891481459159265
Energy: 1.1915916071165795

minimum gb energy = 1.0604866784297382 eV
minimum distance =  2.32899864931378 Angstroms
sigma value = 43


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

Energy: 1.0726013537069226
Energy: 1.0030076279128655
Energy: 1.0726013537064396
Energy: 1.0030076279128655
Energy: 1.0726013537059567
Energy: 1.0030076279123825
Energy: 0.9938975050653892
Energy: 1.0011110731738628
Energy: 0.9938975050658722
Energy: 1.0011110731733799
Energy: 0.9938975050658722
Energy: 1.0011110731738628
Energy: 0.9616757076504733
Energy: 1.0827200579239666
Energy: 0.9616757075616651
Energy: 1.0827200579254153
Energy: 0.9616757074767202
Energy: 1.0827200579258982
Energy: 1.0195283055903823
Energy: 1.0600875433256804
Energy: 1.0195283055903823
Energy: 1.0600875433256804
Energy: 1.0195283055913482
Energy: 1.060087543327129
Energy: 0.9946327097926076
Energy: 0.9387175005858288
Energy: 0.9946327097872959
Energy: 0.9387175005877604
Energy: 0.9946327097926076
Energy: 0.9387175005877604
Energy: 1.0437049883843574
Energy: 0.9917265676681125
Energy: 1.0437049883833918
Energy: 0.9917265676681125
Energy: 1.0437049883843574
Energy: 0.9917265676681125
Energy: 0.9966891437119253
Energy: 1.0380048095524566
Energy: 0.9966891437099936
Energy: 1.038004809551491
Energy: 0.9966891437085451
Energy: 1.0380048095524566
Energy: 0.9970548945891299
Energy: 0.9504075916946246
Energy: 0.9970548945867154
Energy: 0.9504075916955903
Energy: 0.9970548945857496
Energy: 0.9504075916955903
Energy: 1.0006992459940411
Energy: 0.9768966038353832
Energy: 1.0006992459940411
Energy: 0.9768966038353832
Energy: 1.0006992459935582
Energy: 0.9768966038358661
Energy: 1.104995643726273
Energy: 0.9924790043903757
Energy: 1.1049956437282042
Energy: 0.9924790043894097
Energy: 1.1049956437267558
Energy: 0.9924790043869955
Energy: 1.1843657030596095
Energy: 1.071363531111651
Energy: 1.1843657030605754
Energy: 1.071363531111651
Energy: 1.1843657030596095
Energy: 1.0713635311092364
Energy: 0.9544473838518984
Energy: 0.9797748590071794
Energy: 0.9544473838523813
Energy: 0.9797748590076624
Energy: 0.9544473838552786
Energy: 0.9797748590066966
Energy: 1.1039913788728464
Energy: 0.9446425410543919
Energy: 1.1039913788733293
Energy: 0.9446425410534263
Energy: 1.103991378871398
Energy: 0.9446425410548749
Energy: 0.9992544216056581
Energy: 1.0678833532183765
Energy: 0.9992544216080727
Energy: 1.0678833532203078
Energy: 0.9992544216085556
Energy: 1.067883353219825
Energy: 0.9843239629134524
Energy: 0.9646908140099275
Energy: 0.9843239629139353
Energy: 0.964690814011859
Energy: 0.9843239629110381
Energy: 0.9646908140108931
Energy: 1.030328904416066
Energy: 1.0076614023756008
Energy: 1.030328904416549
Energy: 1.0076614023760833
Energy: 1.0303289044151
Energy: 1.007661402374152
Energy: 0.9945184117008582
Energy: 1.0583863325664273
Energy: 0.9945184117013409
Energy: 1.0583863325664273
Energy: 0.9945184117023067
Energy: 1.0583863325688416
Energy: 1.0129344170545502
Energy: 0.9668348556205542
Energy: 1.0129344170526184
Energy: 0.9668348556215198
Energy: 1.0129344170535846
Energy: 0.9668348556224857
Energy: 0.9937632063914046
Energy: 1.0800281037554205
Energy: 0.9937632063899559
Energy: 1.0800281037554205
Energy: 0.9937632063889901
Energy: 1.0800281037559034
Energy: 0.9938181095470027
Energy: 0.9573746279966963
Energy: 0.9938181095479683
Energy: 0.9573746279995935
Energy: 0.9938181095470027
Energy: 0.9573746279957304
Energy: 1.079188968643324
Energy: 1.0005662821258692
Energy: 1.0791889686423581
Energy: 1.000566282126835
Energy: 1.079188968643324
Energy: 1.0005662821263521
Energy: 1.0326025800312741
Energy: 1.0857992401906416
Energy: 1.032602580033206
Energy: 1.0857992401911245
Energy: 1.0326025800307914
Energy: 1.0857992401906416
Energy: 1.0539950277503065
Energy: 1.076720695469662
Energy: 1.0539950277498238
Energy: 1.076720695469662
Energy: 1.0539950277498238
Energy: 1.076720695469179
Energy: 1.0319764257430257
Energy: 0.9998594698662641
Energy: 1.0319764257454402
Energy: 0.999859469866747
Energy: 1.0319764257401283
Energy: 0.9998594698657812
Energy: 0.9441555600606881
Energy: 0.9495605238996655
Energy: 0.9441555600597222
Energy: 0.9495605239011141
Energy: 0.9441555600597222
Energy: 0.9495605239006312
Energy: 0.9676719373328156
Energy: 1.0546987705510216
Energy: 0.9676719373337814
Energy: 1.0546987705500557
Energy: 0.9676719373328156
Energy: 1.0546987705505386
Energy: 1.044506498888999
Energy: 0.9637975659274466
Energy: 1.0445064988870671
Energy: 0.9637975659279294
Energy: 1.0445064988865842
Energy: 0.9637975659269636
Energy: 0.8963277410341256
Energy: 0.9544303091106905
Energy: 0.8963277410350914
Energy: 0.9544303091073103
Energy: 0.896327741032238
Energy: 0.9544303091010329
Energy: 0.9675110997938279
Energy: 1.0017586362880582
Energy: 0.9675110997918963
Energy: 1.0017586362880582
Energy: 0.967511099792862
Energy: 1.0017586362885411
Energy: 0.9831952277226165
Energy: 0.9481581929376215
Energy: 0.9831952277197191
Energy: 0.9481581929371385
Energy: 0.9831952277192364
Energy: 0.9481581929376215
Energy: 0.883850711319307
Energy: 0.9539045227378119
Energy: 0.8838507113188241
Energy: 0.9539045227358803
Energy: 0.8838507113183411
Energy: 0.9539045227320172
Energy: 0.9682999014294223
Energy: 0.9695815863622775
Energy: 0.9682999014303882
Energy: 0.9695815863622775
Energy: 0.9682999014299053
Energy: 0.9695815863627602
Energy: 0.9499090459985404
Energy: 0.949812217945944
Energy: 0.949909045996609
Energy: 0.9498122179449783
Energy: 0.9499090459975746
Energy: 0.9498122179469098
Energy: 1.0936616820326313
Energy: 1.0713363504209825
Energy: 1.0936616820326313
Energy: 1.0713363504209825
Energy: 1.0936616820278022
Energy: 1.0713363504204996
Energy: 0.9697600082654322
Energy: 0.9393357753195377
Energy: 0.9697600082644665
Energy: 0.9393357753205034
Energy: 0.9697600082649492
Energy: 0.9393357753195377
Energy: 0.8731849572252037
Energy: 0.9500916329093977
Energy: 0.8731849572242381
Energy: 0.9500916329103636
Energy: 0.8731849572237551
Energy: 0.950091632908432

minimum gb energy = 0.8731849572237551 eV
minimum distance =  2.30919831684783 Angstroms
sigma value = 81


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

Energy: 0.01957078344248425
Energy: 0.0721661955420398
Energy: 0.01957078344248425
Energy: 0.07216619554381407
Energy: 0.01957078344248425
Energy: 0.07216619554381407
Energy: 0.8408233038577438
Energy: 0.02129102647743066
Energy: 0.8408233038595181
Energy: 0.02129102648097917
Energy: 0.8408233038577438
Energy: 0.02129102648275343
Energy: 0.8408649019541458
Energy: 0.021417468047481292
Energy: 0.8408649019523716
Energy: 0.021417468047481292
Energy: 0.8408649019541458
Energy: 0.021417468052763736
Energy: 0.019570783440709994
Energy: 0.07216619554381407
Energy: 0.019570783440709994
Energy: 0.07216619554381407
Energy: 0.019570783440709994
Energy: 0.07216619554381407
Energy: 0.8408233038577438
Energy: 0.021291026470333634
Energy: 0.8408233038577438
Energy: 0.02129102647743066
Energy: 0.8408233038577438
Energy: 0.021291026473882146
Energy: 0.8408649019541458
Energy: 0.0214174680350615
Energy: 0.8408649019523716
Energy: 0.021417468036835755
Energy: 0.8408649019541458
Energy: 0.021417468031512985
Energy: 0.019570783440709994
Energy: 0.07216619554381407
Energy: 0.019570783440709994
Energy: 0.0721661955420398
Energy: 0.019570783440709994
Energy: 0.0721661955420398
Energy: 0.8408233038577438
Energy: 0.021291026447268303
Energy: 0.8408233038577438
Energy: 0.02129102644549405
Energy: 0.8408233038577438
Energy: 0.021291026449042558
Energy: 0.8408649019541458
Energy: 0.021417468029738734
Energy: 0.8408649019541458
Energy: 0.021417468022641706
Energy: 0.8408649019523716
Energy: 0.021417468027964476
Energy: 0.01957078344248425
Energy: 0.0721661955420398
Energy: 0.01957078344248425
Energy: 0.0721661955420398
Energy: 0.019570783440709994
Energy: 0.0721661955420398

minimum gb energy = 0.019570783440709994 eV
minimum distance =  2.5292373619715 Angstroms
sigma value = 3


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

Energy: 0.7986884442176846
Energy: 0.8558514570529987
Energy: 0.7986884442171536
Energy: 0.8558514570529987
Energy: 0.7986884442166227
Energy: 0.8558514570524678
Energy: 0.6917322341983403
Energy: 0.7604477613176174
Energy: 0.6917322341962165
Energy: 0.7604477613170865
Energy: 0.6917322341967475
Energy: 0.7604477613181483
Energy: 0.815327067691165
Energy: 0.7622118438090874
Energy: 0.815327067691165
Energy: 0.7622118438090874
Energy: 0.815327067691696
Energy: 0.7622118438096183
Energy: 0.7560832307999625
Energy: 0.8056340758733426
Energy: 0.7560832308010245
Energy: 0.8056340758733426
Energy: 0.7560832308015554
Energy: 0.8056340758744046
Energy: 0.7211187924206028
Energy: 0.75801695472253
Energy: 0.7211187924195409
Energy: 0.7580169547235919
Energy: 0.7211187924200718
Energy: 0.758016954723061
Energy: 0.8181423744574523
Energy: 0.7707774854954444
Energy: 0.8181423744569212
Energy: 0.7707774854959755
Energy: 0.8181423744569212
Energy: 0.7707774854954444
Energy: 0.7767190298362978
Energy: 0.796653449425379
Energy: 0.7767190298352359
Energy: 0.7966534494259099
Energy: 0.7767190298352359
Energy: 0.7966534494290956
Energy: 0.7203862875717975
Energy: 0.7567319315177606
Energy: 0.7203862875717975
Energy: 0.7567319315166988
Energy: 0.7203862875712667
Energy: 0.7567319315172298
Energy: 0.833307780206287
Energy: 0.7922153108889547
Energy: 0.833307780206287
Energy: 0.7922153108889547
Energy: 0.833307780206287
Energy: 0.7922153108884237
Energy: 0.7776183114041365
Energy: 0.789208793967289
Energy: 0.7776183114036054
Energy: 0.7892087939667581
Energy: 0.7776183114051983
Energy: 0.7892087939651653
Energy: 0.7665000477167483
Energy: 0.755542124744156
Energy: 0.7665000477178102
Energy: 0.7555421247436251
Energy: 0.7665000477146245
Energy: 0.7555421247436251
Energy: 0.8503204801946034
Energy: 0.8518516568304975
Energy: 0.8503204801951343
Energy: 0.8518516568315594
Energy: 0.8503204801940724
Energy: 0.8518516568299667
Energy: 0.7562289342301369
Energy: 0.7431024357594174
Energy: 0.7562289342311989
Energy: 0.7431024357594174
Energy: 0.7562289342311989
Energy: 0.7431024357594174
Energy: 0.7947734118978681
Energy: 0.7266093038419941
Energy: 0.7947734118946824
Energy: 0.726609303841463
Energy: 0.7947734118983989
Energy: 0.726609303841463
Energy: 0.788612345784765
Energy: 0.8219418618594161
Energy: 0.7886123457837031
Energy: 0.8219418618604779
Energy: 0.788612345784765
Energy: 0.8219418618610088
Energy: 0.757744569275776
Energy: 0.7285740663148162
Energy: 0.7577445692752451
Energy: 0.7285740663158782
Energy: 0.7577445692747141
Energy: 0.7285740663158782
Energy: 0.808236256068651
Energy: 0.8318454975802039
Energy: 0.8082362560670582
Energy: 0.8318454975807348
Energy: 0.808236256068651
Energy: 0.8318454975802039
Energy: 0.8082394964237157
Energy: 0.7752929530332842
Energy: 0.8082394964237157
Energy: 0.7752929530327531
Energy: 0.8082394964231847
Energy: 0.7752929530316913
Energy: 0.7590765073976644
Energy: 0.709070638781638
Energy: 0.7590765073976644
Energy: 0.7090706387826999
Energy: 0.7590765073976644
Energy: 0.709070638781638
Energy: 0.7831860659853228
Energy: 0.8452998781719602
Energy: 0.7831860659842609
Energy: 0.8452998781714294
Energy: 0.7831860659842609
Energy: 0.8452998781719602
Energy: 0.803403501751165
Energy: 0.5797593796302791
Energy: 0.8034035017495721
Energy: 0.5797593796302791
Energy: 0.803403501751165
Energy: 0.5797593796302791
Energy: 0.7258779752348073
Energy: 0.7733595026692399
Energy: 0.7258779752353384
Energy: 0.7733595026697709
Energy: 0.7258779752358693
Energy: 0.773359502668178
Energy: 0.8140356043576817
Energy: 0.7254345459070357
Energy: 0.8140356043576817
Energy: 0.7254345459065048
Energy: 0.8140356043571507
Energy: 0.7254345459065048
Energy: 0.8069183139746269
Energy: 0.5829218263915384
Energy: 0.806918313971441
Energy: 0.5829218263883528
Energy: 0.8069183139719719
Energy: 0.5829218263888837
Energy: 0.7566743679272373
Energy: 0.8061972630964234
Energy: 0.7566743679272373
Energy: 0.8061972630964234
Energy: 0.7566743679277683
Energy: 0.8061972630969543
Energy: 0.8184643977161017
Energy: 0.7562023064080592
Energy: 0.8184643977161017
Energy: 0.7562023064075283
Energy: 0.8184643977166327
Energy: 0.7562023064080592
Energy: 0.9170561341369998
Energy: 0.7022258035834027
Energy: 0.9170561341348761
Energy: 0.7022258035839336
Energy: 0.9170561341364688
Energy: 0.7022258035839336
Energy: 0.7776168555929037
Energy: 0.842049780062693
Energy: 0.7776168555929037
Energy: 0.842049780062693
Energy: 0.7776168555923728
Energy: 0.842049780063224
Energy: 0.8177589824982613
Energy: 0.7570419520489916
Energy: 0.8177589824982613
Energy: 0.7570419520500535
Energy: 0.8177589824977304
Energy: 0.7570419520495226
Energy: 0.9157733133321879
Energy: 0.8776537277705861
Energy: 0.9157733133332497
Energy: 0.8776537277705861
Energy: 0.9157733133347944
Energy: 0.877653727771117
Energy: 0.8524903847905939
Energy: 0.836026795978332
Energy: 0.8524903847905939
Energy: 0.8360267959778009
Energy: 0.8524903847884701
Energy: 0.8360267959778009
Energy: 0.7868430327124744
Energy: 0.77076368540853
Energy: 0.7868430327135363
Energy: 0.77076368540853
Energy: 0.7868430327130055
Energy: 0.7707636854095918
Energy: 0.7873031393254094
Energy: 0.8292075682962686
Energy: 0.7873031393259403
Energy: 0.8292075682973304
Energy: 0.7873031393264712
Energy: 0.8292075682967995

minimum gb energy = 0.5797593796302791 eV
minimum distance =  2.36814752175105 Angstroms
sigma value = 67


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

Energy: 1.0498021089279959
Energy: 1.0287565700921344
Energy: 1.0498021089279959
Energy: 1.0287565700928911
Energy: 1.0498021089272391
Energy: 1.0287565700936476
Energy: 1.0180088410002728
Energy: 1.0311417268533543
Energy: 1.0180088409995163
Energy: 1.0311417268533543
Energy: 1.0180088409987598
Energy: 1.0311417268533543
Energy: 1.076593003283794
Energy: 1.0294883504428145
Energy: 1.076593003283794
Energy: 1.029488350443571
Energy: 1.0765930032845508
Energy: 1.0294883504413013
Energy: 1.035384015410397
Energy: 1.0952680131811958
Energy: 1.035384015410397
Energy: 1.0952680131827088
Energy: 1.0353840154096405
Energy: 1.0952680131811958
Energy: 1.0258441941636467
Energy: 1.0296038080051473
Energy: 1.0258441941644032
Energy: 1.0296038080051473
Energy: 1.0258441941636467
Energy: 1.0296038080043906
Energy: 1.084296673989082
Energy: 1.027678191009084
Energy: 1.084296673990595
Energy: 1.0276781910098405
Energy: 1.0842966739883253
Energy: 1.0276781910083275
Energy: 1.0290470171308794
Energy: 1.059928025361516
Energy: 1.029047017133149
Energy: 1.0599280253637857
Energy: 1.029047017133149
Energy: 1.0599280253637857
Energy: 1.074260253191493
Energy: 1.0337400898511235
Energy: 1.07426025318998
Energy: 1.0337400898511235
Energy: 1.0742602531892234
Energy: 1.0337400898526368
Energy: 1.1115948258656807
Energy: 1.1167488705569502
Energy: 1.111594825864924
Energy: 1.1167488705569502
Energy: 1.111594825864924
Energy: 1.1167488705577067
Energy: 1.0235802069319915
Energy: 1.009843852309267
Energy: 1.0235802069335045
Energy: 1.009843852309267
Energy: 1.0235802069327482
Energy: 1.009843852309267
Energy: 1.0770283437002284
Energy: 1.035481609889731
Energy: 1.0770283436987154
Energy: 1.0354816098904878
Energy: 1.077028343700985
Energy: 1.035481609889731
Energy: 1.02341682197089
Energy: 1.0612756289360255
Energy: 1.0234168219701334
Energy: 1.0612756289360255
Energy: 1.0234168219693767
Energy: 1.061275628935269
Energy: 1.0227373509996631
Energy: 1.0203716136508907
Energy: 1.02273735099815
Energy: 1.0203716136508907
Energy: 1.02273735099815
Energy: 1.0203716136508907
Energy: 1.0609466821077413
Energy: 1.0098733624552754
Energy: 1.0609466821062281
Energy: 1.009873362456032
Energy: 1.0609466821077413
Energy: 1.0098733624537624
Energy: 1.0119678877953318
Energy: 1.017588910361787
Energy: 1.011967887794575
Energy: 1.0175889103625435
Energy: 1.0119678877968448
Energy: 1.017588910361787
Energy: 1.0135600914417133
Energy: 1.033785255206103
Energy: 1.0135600914417133
Energy: 1.0337852552068594
Energy: 1.0135600914424698
Energy: 1.033785255207616
Energy: 1.1029916091474514
Energy: 1.0331058261562247
Energy: 1.1029916091482082
Energy: 1.0331058261569812
Energy: 1.1029916091482082
Energy: 1.0331058261562247
Energy: 1.010131583792285
Energy: 1.0118364201974384
Energy: 1.0101315837900153
Energy: 1.0118364201974384
Energy: 1.0101315837907718
Energy: 1.0118364201974384
Energy: 1.0278957457327476
Energy: 1.0790043402956921
Energy: 1.0278957457342606
Energy: 1.0790043402956921
Energy: 1.027895745735017
Energy: 1.0790043402956921
Energy: 1.0103599852546417
Energy: 1.0302664001235555
Energy: 1.0103599852546417
Energy: 1.030266400124312
Energy: 1.0103599852553982
Energy: 1.0302664001250685
Energy: 1.0608834593470948
Energy: 1.0352244789368095
Energy: 1.0608834593463383
Energy: 1.0352244789368095
Energy: 1.0608834593455818
Energy: 1.0352244789368095
Energy: 1.0366601689543915
Energy: 1.1191198865674372
Energy: 1.036660168953635
Energy: 1.119119886568194
Energy: 1.036660168955148
Energy: 1.1191198865674372
Energy: 1.013451297157509
Energy: 1.0286925730656205
Energy: 1.0134512971567524
Energy: 1.028692573066377
Energy: 1.0134512971567524
Energy: 1.028692573066377

minimum gb energy = 1.009843852309267 eV
minimum distance =  2.3835193479073 Angstroms
sigma value = 33


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

Energy: 1.2078507564987169
Energy: 1.2304442282285322
Energy: 1.207850756496317
Energy: 1.2304442282294923
Energy: 1.2078507564982368
Energy: 1.2304442282280523
Energy: 1.1932285931885322
Energy: 1.1719409326806751
Energy: 1.1932285931866125
Energy: 1.171940932680195
Energy: 1.1932285931861324
Energy: 1.171940932680195
Energy: 1.229483218309148
Energy: 1.1888074943107907
Energy: 1.2294832183062683
Energy: 1.1888074943107907
Energy: 1.2294832183067481
Energy: 1.1888074943107907
Energy: 1.1960692019768804
Energy: 1.3011945295133458
Energy: 1.1960692019759205
Energy: 1.3011945295090261
Energy: 1.1960692019759205
Energy: 1.3011945295162253
Energy: 1.2335400582517735
Energy: 1.1708863721769973
Energy: 1.2335400582541731
Energy: 1.1708863721760374
Energy: 1.2335400582517735
Energy: 1.1708863721769973
Energy: 1.277913995836242
Energy: 1.3138338348614609
Energy: 1.2779139958400814
Energy: 1.3138338348614609
Energy: 1.277913995836242
Energy: 1.3138338348614609
Energy: 1.1891718341130388
Energy: 1.2570561635082593
Energy: 1.189171834112079
Energy: 1.2570561635077793
Energy: 1.1891718341139985
Energy: 1.2570561635082593
Energy: 1.2864260760725001
Energy: 1.224648826147454
Energy: 1.2864260760749
Energy: 1.224648826147454
Energy: 1.28642607607346
Energy: 1.224648826147934
Energy: 1.2044807446776036
Energy: 1.2554668676572704
Energy: 1.2044807446771235
Energy: 1.2554668676567906
Energy: 1.2044807446780834
Energy: 1.2554668676572704
Energy: 1.1779992618299888
Energy: 1.2209289741840759
Energy: 1.1779992618261492
Energy: 1.2209289741840759
Energy: 1.177999261828549
Energy: 1.2209289741826361
Energy: 1.268433036417372
Energy: 1.1702923233193165
Energy: 1.268433036416412
Energy: 1.1702923233193165
Energy: 1.2684330364192917
Energy: 1.1702923233188365
Energy: 1.1898838136386898
Energy: 1.2126029569045844
Energy: 1.1898838136386898
Energy: 1.2126029569045844
Energy: 1.1898838136382097
Energy: 1.2126029569045844
Energy: 1.17659738687356
Energy: 1.198000692507042
Energy: 1.1765973868726
Energy: 1.198000692506562
Energy: 1.17659738687308
Energy: 1.198000692506562
Energy: 1.1952520772544155
Energy: 1.1722751262678963
Energy: 1.1952520772534554
Energy: 1.1722751262678963
Energy: 1.1952520772544155
Energy: 1.1722751262674165
Energy: 1.1815824919022442
Energy: 1.2090720436405162
Energy: 1.181582491902724
Energy: 1.2090720436405162
Energy: 1.181582491902724
Energy: 1.2090720436400362
Energy: 1.1951810206309366
Energy: 1.2422707470769863
Energy: 1.195181020631896
Energy: 1.2422707470750667
Energy: 1.195181020631896
Energy: 1.2422707470736267
Energy: 1.2339960554700955
Energy: 1.1892970368332367
Energy: 1.2339960554720153
Energy: 1.1892970368332367
Energy: 1.2339960554700955
Energy: 1.1892970368332367
Energy: 1.239863231835399
Energy: 1.3005903311019216
Energy: 1.239863231835879
Energy: 1.3005903311028815
Energy: 1.2398632318372749
Energy: 1.3005903311000018
Energy: 1.1964956849869326
Energy: 1.2658975154913028
Energy: 1.1964956849883723
Energy: 1.2658975154917826
Energy: 1.196495684985973
Energy: 1.2658975154913028
Energy: 1.2751779103077454
Energy: 1.1716010369703709
Energy: 1.2751779103019858
Energy: 1.171601036970851
Energy: 1.2751779103019858
Energy: 1.171601036971331
Energy: 1.1928573282029595
Energy: 1.257489701993556
Energy: 1.1928573282048358
Energy: 1.257489701993076
Energy: 1.192857328203876
Energy: 1.257489701993556
Energy: 1.1801130246592053
Energy: 1.2156060478604491
Energy: 1.1801130246582454
Energy: 1.2156060478604491
Energy: 1.1801130246592053
Energy: 1.2156060478604491
Energy: 1.3049055273592933
Energy: 1.170481925428548
Energy: 1.3049055273592933
Energy: 1.170481925429028
Energy: 1.3049055273568937
Energy: 1.170481925428548
Energy: 1.178285264323364
Energy: 1.205453064278377
Energy: 1.178285264321444
Energy: 1.205453064278377
Energy: 1.178285264322884
Energy: 1.205453064278857
Energy: 1.1919489307566606
Energy: 1.2058026374606527
Energy: 1.1919489307566606
Energy: 1.2058026374606527
Energy: 1.1919489307581004
Energy: 1.2058026374606527
Energy: 1.2703982625411783
Energy: 1.2060111526349828
Energy: 1.2703982625392585
Energy: 1.2060111526354627
Energy: 1.2703982625382986
Energy: 1.206011152634503
Energy: 1.1887900150596127
Energy: 1.215526004835398
Energy: 1.1887900150610524
Energy: 1.215526004835398
Energy: 1.1887900150610524
Energy: 1.215526004835398
Energy: 1.1737983986235305
Energy: 1.2966249704692903
Energy: 1.1737983986206508
Energy: 1.2966249704702502
Energy: 1.1737983986220906
Energy: 1.2966249704745698
Energy: 1.2851495236998371
Energy: 1.1703128745913542
Energy: 1.2851495236988772
Energy: 1.1703128745913542
Energy: 1.2851495236979174
Energy: 1.170312874591834
Energy: 1.1945102168994428
Energy: 1.2542893511803108
Energy: 1.194510216900403
Energy: 1.2542893511822306
Energy: 1.1945102168999229
Energy: 1.254289351179831
Energy: 1.2935251594138237
Energy: 1.3007702127232224
Energy: 1.293525159411424
Energy: 1.3007702127222622
Energy: 1.2935251594157435
Energy: 1.300770212724182
Energy: 1.2334821313043929
Energy: 1.171651586033943
Energy: 1.233482131302473
Energy: 1.1716515860344228
Energy: 1.2334821313043929
Energy: 1.171651586033943
Energy: 1.197359292089722
Energy: 1.2425937578364632
Energy: 1.197359292090202
Energy: 1.2425937578359834
Energy: 1.197359292089722
Energy: 1.2425937578369433
Energy: 1.1866005800499182
Energy: 1.173393092947021
Energy: 1.186600580051838
Energy: 1.1733930929484608
Energy: 1.1866005800499182
Energy: 1.173393092947981
Energy: 1.204869413705515
Energy: 1.1897470537787784
Energy: 1.204869413705515
Energy: 1.1897470537792585
Energy: 1.2048694137040754
Energy: 1.1897470537797386
Energy: 1.1782949580771847
Energy: 1.1847149944039692
Energy: 1.178294958079584
Energy: 1.1847149944049291
Energy: 1.1782949580767046
Energy: 1.1847149944039692
Energy: 1.1942386478845377
Energy: 1.1971739011885212
Energy: 1.1942386478835778
Energy: 1.1971739011947602
Energy: 1.1942386478840579
Energy: 1.1971739011947602

minimum gb energy = 1.1702923233188365 eV
minimum distance =  2.34897952823616 Angstroms
sigma value = 41


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

Energy: 1.4867080321883879
Energy: 1.48159759826457
Energy: 1.4867080321883879
Energy: 1.4815975982632592
Energy: 1.4867080321870774
Energy: 1.4815975982632592
Energy: 1.5095989979959101
Energy: 1.468306398888803
Energy: 1.5095989979959101
Energy: 1.468306398888803
Energy: 1.5095989979959101
Energy: 1.468306398888803
Energy: 1.587530662146084
Energy: 1.4639229871579607
Energy: 1.5875306621447736
Energy: 1.4639229871579607
Energy: 1.5875306621473944
Energy: 1.4639229871579607
Energy: 1.4572342223756027
Energy: 1.5889220757948048
Energy: 1.4572342223756027
Energy: 1.5889220757934943
Energy: 1.4572342223756027
Energy: 1.5889220757934943
Energy: 1.584805338126039
Energy: 1.4849672787892119
Energy: 1.5848053381273493
Energy: 1.4849672787892119
Energy: 1.584805338126039
Energy: 1.4849672787892119
Energy: 1.605374373097558
Energy: 1.5863876178432008
Energy: 1.605374373097558
Energy: 1.5863876178432008
Energy: 1.6053743731001786
Energy: 1.5863876178418905
Energy: 1.4716700236053795
Energy: 1.5097387121103212
Energy: 1.4716700236040692
Energy: 1.5097387121103212
Energy: 1.4716700236040692
Energy: 1.5097387121103212
Energy: 1.5185895354891803
Energy: 1.4688551827104877
Energy: 1.5185895354891803
Energy: 1.4688551827104877
Energy: 1.5185895354904908
Energy: 1.468855182711798
Energy: 1.5223374048216454
Energy: 1.5137989124984268
Energy: 1.522337404820335
Energy: 1.5137989124984268
Energy: 1.5223374048190248
Energy: 1.5137989124984268
Energy: 1.4559894675603056
Energy: 1.5214991119852421
Energy: 1.4559894675603056
Energy: 1.5214991119852421
Energy: 1.4559894675603056
Energy: 1.5214991119852421
Energy: 1.509590173075285
Energy: 1.463803787653426
Energy: 1.509590173075285
Energy: 1.463803787653426
Energy: 1.509590173075285
Energy: 1.4638037876547363
Energy: 1.528841816516201
Energy: 1.4567252572366545
Energy: 1.5288418165175115
Energy: 1.4567252572366545
Energy: 1.528841816516201
Energy: 1.456725257235344
Energy: 1.4961980272707727
Energy: 1.58802793088678
Energy: 1.4961980272694624
Energy: 1.5880279308880902
Energy: 1.4961980272694624
Energy: 1.58802793088678
Energy: 1.5847551812712797
Energy: 1.468389287911843
Energy: 1.5847551812699694
Energy: 1.468389287911843
Energy: 1.5847551812699694
Energy: 1.468389287911843

minimum gb energy = 1.4559894675603056 eV
minimum distance =  2.34927713312108 Angstroms
sigma value = 11


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

Energy: 1.7662208262395522
Energy: 1.7910700711846343
Energy: 1.7662208262407035
Energy: 1.7910700711846343
Energy: 1.7662208262401278
Energy: 1.7910700711846343
Energy: 1.7566435074069517
Energy: 1.7122272718441143
Energy: 1.7566435074058004
Energy: 1.7122272718441143
Energy: 1.7566435074063758
Energy: 1.7122272718441143
Energy: 1.8546652918879247
Energy: 1.7224149001558482
Energy: 1.8546652918867734
Energy: 1.7224149001558482
Energy: 1.8546652918885005
Energy: 1.7224149001558482
Energy: 1.7180700959112962
Energy: 1.8181305689910618
Energy: 1.7180700959112962
Energy: 1.8181305689910618
Energy: 1.7180700959112962
Energy: 1.8181305689916378
Energy: 1.8508106456912135
Energy: 1.7404477999525092
Energy: 1.850810645692365
Energy: 1.7404477999525092
Energy: 1.8508106456877593
Energy: 1.7404477999525092
Energy: 1.7194195862600528
Energy: 1.798447687769846
Energy: 1.7194195862600528
Energy: 1.798447687769846
Energy: 1.7194195862612043
Energy: 1.7984476877692708
Energy: 1.72731588372734
Energy: 1.8562024611524002
Energy: 1.727315883728491
Energy: 1.8562024611524002
Energy: 1.7273158837279154
Energy: 1.856202461152976
Energy: 1.8061865750122583
Energy: 1.7185888137505732
Energy: 1.806186575012834
Energy: 1.7185888137505732
Energy: 1.8061865750122583
Energy: 1.7185888137505732
Energy: 1.8129974274016099
Energy: 1.7185854120666446
Energy: 1.8129974274027614
Energy: 1.7185854120672202
Energy: 1.8129974274016099
Energy: 1.7185854120666446
Energy: 1.7377880648355002
Energy: 1.8576357527354401
Energy: 1.7377880648360762
Energy: 1.8576357527348641
Energy: 1.7377880648349247
Energy: 1.8576357527360152
Energy: 1.8226047435308903
Energy: 1.7493771411271126
Energy: 1.8226047435297392
Energy: 1.7493771411271126
Energy: 1.8226047435303145
Energy: 1.7493771411271126
Energy: 1.7931333598898078
Energy: 1.791488467518352
Energy: 1.7931333598892323
Energy: 1.791488467518352
Energy: 1.7931333598898078
Energy: 1.7914884675189273
Energy: 1.7191302818822158
Energy: 1.8244940188044496
Energy: 1.7191302818810645
Energy: 1.8244940188038739
Energy: 1.7191302818810645
Energy: 1.8244940188044496
Energy: 1.8739237396947954
Energy: 1.7139535924750846
Energy: 1.8739237396953712
Energy: 1.7139535924750846
Energy: 1.8739237396942194
Energy: 1.7139535924750846
Energy: 1.810952784726233
Energy: 1.7451200307570038
Energy: 1.810952784726233
Energy: 1.7451200307570038
Energy: 1.810952784726233
Energy: 1.7451200307570038
Energy: 1.753079586378665
Energy: 1.8174879327173816
Energy: 1.753079586378665
Energy: 1.8174879327196847
Energy: 1.7530795863780892
Energy: 1.8174879327196847
Energy: 1.8182106993165432
Energy: 1.7307010773730729
Energy: 1.8182106993165432
Energy: 1.7307010773747997
Energy: 1.8182106993171185
Energy: 1.7307010773730729
Energy: 1.7786103528164117
Energy: 1.7952856563299249
Energy: 1.7786103528152604
Energy: 1.7952856563299249
Energy: 1.7786103528152604
Energy: 1.7952856563299249
Energy: 1.7281954509802278
Energy: 1.7843208499109318
Energy: 1.7281954509802278
Energy: 1.7843208499109318
Energy: 1.7281954509802278
Energy: 1.784320849910356
Energy: 1.816549059439132
Energy: 1.7505896217635408
Energy: 1.816549059439132
Energy: 1.7505896217635408
Energy: 1.8165490594368294
Energy: 1.7505896217635408
Energy: 1.7321199493089285
Energy: 1.8093408370257953
Energy: 1.7321199493089285
Energy: 1.8093408370257953
Energy: 1.7321199493100798
Energy: 1.8093408370257953
Energy: 1.719811229112942
Energy: 1.8262519378255497
Energy: 1.7198112291135175
Energy: 1.8262519378284279
Energy: 1.719811229114093
Energy: 1.8262519378267008
Energy: 1.8465325667153598
Energy: 1.723373920983656
Energy: 1.846532566716511
Energy: 1.7233739209842316
Energy: 1.846532566716511
Energy: 1.723373920983656
Energy: 1.8245566468739218
Energy: 1.7117202122646433
Energy: 1.824556646875073
Energy: 1.7117202122646433
Energy: 1.8245566468733465
Energy: 1.7117202122646433
Energy: 1.7367198413192149
Energy: 1.82878789262513
Energy: 1.7367198413180638
Energy: 1.8287878926262813
Energy: 1.7367198413186393
Energy: 1.8287878926257053
Energy: 1.8057760497997075
Energy: 1.7512886155470808
Energy: 1.8057760497939515
Energy: 1.7512886155470808
Energy: 1.8057760497997075
Energy: 1.7512886155470808
Energy: 1.7297976285171843
Energy: 1.8718926052014089
Energy: 1.7297976285166086
Energy: 1.8718926052008333
Energy: 1.7297976285160328
Energy: 1.8718926052008333
Energy: 1.7124000652698081
Energy: 1.7954075502078903
Energy: 1.7124000652692326
Energy: 1.7954075502078903
Energy: 1.7124000652698081
Energy: 1.7954075502078903
Energy: 1.818037326108975
Energy: 1.7395407292015592
Energy: 1.818037326107248
Energy: 1.7395407292015592
Energy: 1.8180373261083995
Energy: 1.7395407292009832
Energy: 1.8083654269088574
Energy: 1.7231973911121141
Energy: 1.8083654269088574
Energy: 1.7231973911126897
Energy: 1.8083654269088574
Energy: 1.7231973911121141
Energy: 1.7313688489754757
Energy: 1.8426293738421609
Energy: 1.7313688489749004
Energy: 1.8426293738438877
Energy: 1.7313688489754757
Energy: 1.8426293738456145

minimum gb energy = 1.7117202122646433 eV
minimum distance =  2.3063936375037 Angstroms
sigma value = 57


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

Energy: 1.829643333127007
Energy: 2.0374836478457032
Energy: 1.8296433331259827
Energy: 2.0374836478457032
Energy: 1.8296433331259827
Energy: 2.0374836478467278
Energy: 1.8267875706594194
Energy: 1.8539844754904256
Energy: 1.8267875706573706
Energy: 1.8539844754914498
Energy: 1.8267875706573706
Energy: 1.8539844754904256
Energy: 1.9923112221582853
Energy: 1.8643003062031598
Energy: 1.992311222157261
Energy: 1.8643003062031598
Energy: 1.992311222157261
Energy: 1.8643003062031598
Energy: 1.8138023264407976
Energy: 1.96117530733471
Energy: 1.8138023264397733
Energy: 1.9611753073357345
Energy: 1.8138023264407976
Energy: 1.9611753073357345
Energy: 1.9922952406178522
Energy: 1.8643256420278396
Energy: 1.9922952406188765
Energy: 1.8643256420278396
Energy: 1.9922952406168277
Energy: 1.8643256420278396
Energy: 1.8268027869512125
Energy: 1.8533805438039619
Energy: 1.8268027869522367
Energy: 1.8533805438049862
Energy: 1.8268027869522367
Energy: 1.8533805438049862
Energy: 1.8296433331259827
Energy: 2.037483647844679
Energy: 1.8296433331249582
Energy: 2.0374836478457032
Energy: 1.8296433331259827
Energy: 2.0374836478457032
Energy: 1.8267875706583951
Energy: 1.8539844754863284
Energy: 1.8267875706583951
Energy: 1.8539844754873527
Energy: 1.8267875706563463
Energy: 1.8539844754863284
Energy: 1.992311222157261
Energy: 1.8643003062041843
Energy: 1.9923112221562367
Energy: 1.8643003062041843
Energy: 1.9923112221562367
Energy: 1.8643003062031598
Energy: 1.8138023264377245
Energy: 2.0488428988890868
Energy: 1.813802326438749
Energy: 2.0488428988890868
Energy: 1.813802326438749
Energy: 2.0488428988901117
Energy: 1.9922952406188765
Energy: 1.8643256420257908
Energy: 1.9922952406199006
Energy: 1.8643256420247662
Energy: 1.9922952406178522
Energy: 1.8643256420257908
Energy: 1.8268027869522367
Energy: 1.8533805438039619
Energy: 1.8268027869512125
Energy: 1.8533805438060107
Energy: 1.8268027869501882
Energy: 1.8533805438060107
Energy: 1.8296433331259827
Energy: 2.0374836478457032
Energy: 1.8296433331249582
Energy: 2.037483647844679
Energy: 1.8296433331259827
Energy: 2.0374836478457032
Energy: 1.8267875706583951
Energy: 1.8539844754904256
Energy: 1.8267875706563463
Energy: 1.8539844754904256
Energy: 1.8267875706573706
Energy: 1.8539844754914498
Energy: 1.9923112221582853
Energy: 1.8643003062011112
Energy: 1.9923112221562367
Energy: 1.8643003062011112
Energy: 1.9923112221562367
Energy: 1.8643003062011112
Energy: 1.813802326438749
Energy: 2.0488428988880627
Energy: 1.813802326438749
Energy: 2.0488428988860137
Energy: 1.8138023264377245
Energy: 2.0488428988880627
Energy: 1.9922952406209251
Energy: 1.8643256420278396
Energy: 1.9922952406209251
Energy: 1.8643256420278396
Energy: 1.9922952406188765
Energy: 1.8643256420278396

minimum gb energy = 1.8138023264377245 eV
minimum distance =  2.31311002487748 Angstroms
sigma value = 9


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

Energy: 1.8997573426276133
Energy: 1.9227732656024954
Energy: 1.8997573426276133
Energy: 1.9227732656024954
Energy: 1.8997573426284495
Energy: 1.9227732656033316
Energy: 1.9291599342249184
Energy: 1.911651000898319
Energy: 1.9291599342240822
Energy: 1.911651000898319
Energy: 1.9291599342240822
Energy: 1.9116510008974827
Energy: 1.9872914014630918
Energy: 1.8849475258868877
Energy: 1.987291401461419
Energy: 1.8849475258868877
Energy: 1.987291401461419
Energy: 1.884947525887724
Energy: 1.8311859626370333
Energy: 2.0399681953203013
Energy: 1.8311859626370333
Energy: 2.0399681953203013
Energy: 1.8311859626361966
Energy: 2.0399681953203013
Energy: 1.9229158249204104
Energy: 1.8752416934713092
Energy: 1.9229158249212468
Energy: 1.8752416934713092
Energy: 1.9229158249212468
Energy: 1.875241693470473
Energy: 1.969153924056574
Energy: 1.850209547206038
Energy: 1.9691539240598817
Energy: 1.850209547206038
Energy: 1.9691539240582088
Energy: 1.850209547206038
Energy: 1.8270418447067267
Energy: 1.9872936117886069
Energy: 1.8270418447083996
Energy: 1.9872936117877706
Energy: 1.8270418447075631
Energy: 1.9872936117877706
Energy: 1.8226700288021829
Energy: 1.9725897658935876
Energy: 1.8226700288013467
Energy: 1.9725897658935876
Energy: 1.822670028803019
Energy: 1.9725897658927514
Energy: 2.0351671433258494
Energy: 1.8746880517324263
Energy: 2.0351671433241765
Energy: 1.8746880517324263
Energy: 2.035167143322504
Energy: 1.87468805173159
Energy: 1.8313226645402658
Energy: 1.9576637179777516
Energy: 1.8313226645427754
Energy: 1.9576637179777516
Energy: 1.831322664541102
Energy: 1.9576637179785883
Energy: 1.9369935944714647
Energy: 1.9312247962723856
Energy: 1.9369935944689554
Energy: 1.931224796271549
Energy: 1.9369935944697916
Energy: 1.931224796271549
Energy: 1.9984362122888017
Energy: 1.8507105550723082
Energy: 1.9984362122929837
Energy: 1.8507105550723082
Energy: 1.9984362122929837
Energy: 1.8507105550723082
Energy: 1.8243261567612215
Energy: 2.0074528603730086
Energy: 1.8243261567603852
Energy: 2.0074528603730086
Energy: 1.8243261567595486
Energy: 2.0074528603730086
Energy: 1.9222471628842104
Energy: 1.9756635831929323
Energy: 1.922247162885047
Energy: 1.9756635831929323
Energy: 1.9222471628842104
Energy: 1.9756635831920961
Energy: 1.9907933107513207
Energy: 1.8467073084937207
Energy: 1.9907933107496483
Energy: 1.846707308492884
Energy: 1.990793310752157
Energy: 1.846707308492884
Energy: 1.8963087713966327
Energy: 2.006406194042345
Energy: 1.8963087713983051
Energy: 2.0064061940398363
Energy: 1.896308771397469
Energy: 2.0064061940389997
Energy: 1.8956951124895367
Energy: 2.0159675182441013
Energy: 1.895695112490373
Energy: 2.0159675182449375
Energy: 1.8956951124895367
Energy: 2.0159675182441013
Energy: 2.18274074860712
Energy: 1.8496833574880427
Energy: 2.1827407486079564
Energy: 1.8496833574880427
Energy: 2.182740748608793
Energy: 1.849683357488879
Energy: 1.853475366251148
Energy: 1.9863244077489801
Energy: 1.8534753662478025
Energy: 1.9863244077489801
Energy: 1.8534753662486392
Energy: 1.9863244077481437
Energy: 1.8851948770224616
Energy: 1.9054469633623765
Energy: 1.8851948770216254
Energy: 1.9054469633615403
Energy: 1.8851948770207891
Energy: 1.9054469633623765
Energy: 1.9958101033118008
Energy: 1.8566289455277383
Energy: 1.9958101033118008
Energy: 1.8566289455277383
Energy: 1.9958101033109639
Energy: 1.8566289455285747

minimum gb energy = 1.8226700288013467 eV
minimum distance =  2.31800234415494 Angstroms
sigma value = 27


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

Energy: 1.987172184760649
Energy: 1.8806958788069612
Energy: 1.9871721847655837
Energy: 1.8806958788083712
Energy: 1.9871721847634687
Energy: 1.8806958788076664
Energy: 2.048636012627364
Energy: 1.8672662077126763
Energy: 2.048636012625954
Energy: 1.8672662077126763
Energy: 2.048636012625954
Energy: 1.8672662077126763
Energy: 1.9425003545410562
Energy: 1.872234299928537
Energy: 1.942500354539646
Energy: 1.872234299928537
Energy: 1.942500354540351
Energy: 1.872234299928537
Energy: 1.8713292446362508
Energy: 1.907483369928362
Energy: 1.871329244636956
Energy: 1.907483369928362
Energy: 1.8713292446362508
Energy: 1.907483369928362
Energy: 1.8637147193699244
Energy: 1.9878366293590728
Energy: 1.8637147193720394
Energy: 1.9878366293583678
Energy: 1.8637147193727446
Energy: 1.9878366293590728
Energy: 1.991876255652437
Energy: 1.957983860969438
Energy: 1.991876255652437
Energy: 1.9579838609687328
Energy: 1.991876255652437
Energy: 1.957983860969438
Energy: 1.8775725010660456
Energy: 1.9196518427623628
Energy: 1.8775725010653406
Energy: 1.9196518427616578
Energy: 1.8775725010660456
Energy: 1.9196518427616578
Energy: 1.929817577246941
Energy: 1.9428575773413765
Energy: 1.929817577246941
Energy: 1.942857577343492
Energy: 1.929817577246236
Energy: 1.942857577347722
Energy: 1.950868107709444
Energy: 1.8699774646491838
Energy: 1.950868107708739
Energy: 1.869977464649889
Energy: 1.950868107709444
Energy: 1.8699774646491838
Energy: 1.943059552789724
Energy: 1.8874137173408116
Energy: 1.9430595527911338
Energy: 1.8874137173415166
Energy: 1.9430595527911338
Energy: 1.8874137173408116
Energy: 1.9510307826833306
Energy: 1.9020399465521012
Energy: 1.9510307826840356
Energy: 1.902039946551396
Energy: 1.9510307826812157
Energy: 1.9020399465521012
Energy: 1.9236754158061744
Energy: 1.8696205684704272
Energy: 1.9236754158054692
Energy: 1.8696205684711322
Energy: 1.9236754158061744
Energy: 1.8696205684711322
Energy: 1.944259362983299
Energy: 1.895933593142083
Energy: 1.944259362981184
Energy: 1.895933593142083
Energy: 1.9442593629825942
Energy: 1.895933593142083
Energy: 1.8790302609638803
Energy: 1.9348574279070252
Energy: 1.8790302609631755
Energy: 1.934857427908435
Energy: 1.8790302609638803
Energy: 1.9348574279091402
Energy: 1.9161207499884798
Energy: 1.9571554840837235
Energy: 1.9161207499884798
Energy: 1.9571554840837235
Energy: 1.9161207499877748
Energy: 1.9571554840837235
Energy: 1.88277460145074
Energy: 1.9872814520896702
Energy: 1.882774601450035
Energy: 1.9872814520896702
Energy: 1.8827746014514453
Energy: 1.9872814520882602
Energy: 1.908243248013381
Energy: 1.942880680785797
Energy: 1.908243248013381
Energy: 1.942880680785797
Energy: 1.908243248013381
Energy: 1.942880680785797
Energy: 1.9006105836062193
Energy: 1.8730423626876738
Energy: 1.9006105836062193
Energy: 1.8730423626876738
Energy: 1.9006105836041043
Energy: 1.8730423626876738
Energy: 1.9015887805815614
Energy: 1.8698950370481289
Energy: 1.9015887805822662
Energy: 1.869895037049539
Energy: 1.9015887805794465
Energy: 1.8698950370488339
Energy: 1.987172184771224
Energy: 1.8806958788041412
Energy: 1.9871721847655837
Energy: 1.8806958788041412
Energy: 1.9871721847655837
Energy: 1.8806958788041412
Energy: 2.0486360126231338
Energy: 1.8672662077119713
Energy: 2.0486360126231338
Energy: 1.8672662077112665
Energy: 2.048636012623839
Energy: 1.8672662077112665
Energy: 1.9425003545375308
Energy: 1.872234299930652
Energy: 1.9425003545375308
Energy: 1.872234299930652
Energy: 1.942500354538236
Energy: 1.872234299930652
Energy: 1.871329244639071
Energy: 1.9074833699318872
Energy: 1.871329244639776
Energy: 1.9074833699318872
Energy: 1.871329244639776
Energy: 1.9074833699318872
Energy: 1.8637147193699244
Energy: 1.9878366293576628
Energy: 1.8637147193685146
Energy: 1.9878366293576628
Energy: 1.8637147193692194
Energy: 1.9878366293576628
Energy: 1.991876255653847
Energy: 1.9579838609687328
Energy: 1.991876255653847
Energy: 1.957983860969438
Energy: 1.991876255653847
Energy: 1.9579838609687328

minimum gb energy = 1.8637147193685146 eV
minimum distance =  2.29396816809694 Angstroms
sigma value = 19


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

Energy: 1.8984647426173231
Energy: 1.9486080680550026
Energy: 1.8984647426179317
Energy: 1.9486080680550026
Energy: 1.8984647426179317
Energy: 1.94860806805622
Energy: 1.8504131046442185
Energy: 1.8415560638984634
Energy: 1.8504131046430012
Energy: 1.8415560638978548
Energy: 1.85041310464361
Energy: 1.8415560638984634
Energy: 1.881253330522521
Energy: 1.8218820577651214
Energy: 1.881253330522521
Energy: 1.8218820577651214
Energy: 1.881253330522521
Energy: 1.8218820577651214
Energy: 1.826337232823147
Energy: 1.8630109977268654
Energy: 1.826337232824364
Energy: 1.863010997727474
Energy: 1.826337232823147
Energy: 1.8630109977268654
Energy: 1.8354530261619855
Energy: 1.8776667402044662
Energy: 1.8354530261619855
Energy: 1.8776667401959464
Energy: 1.8354530261619855
Energy: 1.8776667402020317
Energy: 1.8746067914225697
Energy: 1.8437244459495543
Energy: 1.8746067914225697
Energy: 1.8437244459525972
Energy: 1.8746067914225697
Energy: 1.8437244459501627
Energy: 1.824256184913139
Energy: 1.8605019811539572
Energy: 1.8242561849094876
Energy: 1.8605019811539572
Energy: 1.8242561849100962
Energy: 1.8605019811545656
Energy: 1.8340272843964291
Energy: 1.8734370741608026
Energy: 1.8340272843964291
Energy: 1.8734370741608026
Energy: 1.8340272843970373
Energy: 1.8734370741608026
Energy: 1.944260335800373
Energy: 1.820966017735214
Energy: 1.9442603357967214
Energy: 1.8209660177346056
Energy: 1.9442603358034156
Energy: 1.8209660177346056
Energy: 1.8518751597216139
Energy: 1.858522372104877
Energy: 1.8518751597216139
Energy: 1.8585223721097455
Energy: 1.8518751597216139
Energy: 1.858522372106094
Energy: 1.827182140051763
Energy: 1.931020989888895
Energy: 1.827182140051763
Energy: 1.9310209898882866
Energy: 1.8271821400523713
Energy: 1.931020989887678
Energy: 1.8922039750473443
Energy: 1.8242417800542852
Energy: 1.8922039750473443
Energy: 1.8242417800542852
Energy: 1.8922039750473443
Energy: 1.8242417800536765
Energy: 1.824185642554242
Energy: 1.8525761015164885
Energy: 1.8241856425536334
Energy: 1.852576101514054
Energy: 1.8241856425335505
Energy: 1.8525761015164885
Energy: 1.8246993770222457
Energy: 1.856460315402277
Energy: 1.8246993770216373
Energy: 1.856460315402277
Energy: 1.8246993770222457
Energy: 1.8564603154016683
Energy: 1.9063392295567423
Energy: 1.820040183214176
Energy: 1.9063392295567423
Energy: 1.820040183214176
Energy: 1.9063392295561337
Energy: 1.8200401832147848
Energy: 1.9001930186843408
Energy: 1.8123908823205186
Energy: 1.9001930186861662
Energy: 1.812390882321127
Energy: 1.900193018686775
Energy: 1.8123908823205186
Energy: 1.8281974635261853
Energy: 1.8943430669383103
Energy: 1.8281974635261853
Energy: 1.8943430669383103
Energy: 1.8281974635261853
Energy: 1.8943430669389187
Energy: 1.8905992518304882
Energy: 1.8603242435788312
Energy: 1.8905992518298798
Energy: 1.8603242435782228
Energy: 1.8905992518292714
Energy: 1.8603242435788312
Energy: 1.8933224171075065
Energy: 1.8475442015630028
Energy: 1.8933224171075065
Energy: 1.8475442015630028
Energy: 1.8933224171075065
Energy: 1.8475442015623944
Energy: 1.8240113862433676
Energy: 1.8831221548219854
Energy: 1.8240113862433676
Energy: 1.8831221548213768
Energy: 1.8240113862403249
Energy: 1.8831221548207682
Energy: 1.8145729468707401
Energy: 1.9049842864507365
Energy: 1.8145729468707401
Energy: 1.9049842864501279
Energy: 1.8145729468707401
Energy: 1.9049842864501279
Energy: 1.9489293091525013
Energy: 1.8089649160057037
Energy: 1.9489293091525013
Energy: 1.808964916008138
Energy: 1.9489293091464435
Energy: 1.8089649160087464
Energy: 1.8709343786532824
Energy: 1.869327172109314
Energy: 1.870934378648414
Energy: 1.869327172109314
Energy: 1.870934378653891
Energy: 1.869327172109314
Energy: 1.8746030785866694
Energy: 1.8661720166226559
Energy: 1.8746030785866694
Energy: 1.8661720166250901
Energy: 1.8746030785866694
Energy: 1.8661720166250901
Energy: 1.853963155832019
Energy: 1.8207888730898254
Energy: 1.853963155832019
Energy: 1.8207888730898254
Energy: 1.8539631558301937
Energy: 1.8207888730898254
Energy: 1.8488671396718361
Energy: 1.874205292556662
Energy: 1.8488671396724445
Energy: 1.874205292556662
Energy: 1.8488671396724445
Energy: 1.874205292556662
Energy: 1.8112205316037964
Energy: 1.9054459309988179
Energy: 1.8112205316031875
Energy: 1.9054459310006433
Energy: 1.8112205316050134
Energy: 1.9054459310024692
Energy: 1.8853552874279367
Energy: 1.84229073719952
Energy: 1.8853552874279367
Energy: 1.84229073719952
Energy: 1.8853552874297625
Energy: 1.842290737198911
Energy: 1.8151494126525112
Energy: 1.8498143571395471
Energy: 1.815149412651294
Energy: 1.8498143571395471
Energy: 1.8151494126573797
Energy: 1.8498143571395471

minimum gb energy = 1.8089649160057037 eV
minimum distance =  2.27991101238064 Angstroms
sigma value = 101


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

Energy: 1.879353808798206
Energy: 1.8148769495762886
Energy: 1.8793538087987407
Energy: 1.8148769495768236
Energy: 1.879353808798206
Energy: 1.8148769495762886
Energy: 1.8127088122471693
Energy: 1.7696307435296446
Energy: 1.812708812252519
Energy: 1.7696307435296446
Energy: 1.8127088122487742
Energy: 1.7696307435296446
Energy: 1.802317230349851
Energy: 1.7809236250326033
Energy: 1.802317230348246
Energy: 1.7809236250326033
Energy: 1.8023172303471757
Energy: 1.7809236250326033
Energy: 1.7510373821037495
Energy: 1.8066720254874065
Energy: 1.7510373821032146
Energy: 1.8066720254863364
Energy: 1.7510373821026797
Energy: 1.8066720254879416
Energy: 1.769218091508487
Energy: 1.7896879982940463
Energy: 1.769218091505812
Energy: 1.7896879982951166
Energy: 1.769218091507952
Energy: 1.7896879982945813
Energy: 1.7740838948465996
Energy: 1.7903417382329323
Energy: 1.7740838948449948
Energy: 1.7903417382329323
Energy: 1.7740838948460644
Energy: 1.7903417382329323
Energy: 1.7697229080630015
Energy: 1.8174170267696643
Energy: 1.7697229080635366
Energy: 1.8174170267696643
Energy: 1.7697229080630015
Energy: 1.8174170267701992
Energy: 1.7605853162057035
Energy: 1.8063956439959334
Energy: 1.7605853162046337
Energy: 1.8063956439959334
Energy: 1.7605853162057035
Energy: 1.8063956439959334
Energy: 1.7750016352540212
Energy: 1.773183889046809
Energy: 1.775001635255626
Energy: 1.773183889046274
Energy: 1.7750016352545563
Energy: 1.773183889046809
Energy: 1.7877436539776803
Energy: 1.7902140858148003
Energy: 1.7877436539771456
Energy: 1.7902140858153355
Energy: 1.7877436539782154
Energy: 1.7902140858137308
Energy: 1.7635462116948672
Energy: 2.025381138506387
Energy: 1.7635462116948672
Energy: 2.025381138505852
Energy: 1.7635462116948672
Energy: 2.025381138504782
Energy: 1.8240578241886638
Energy: 1.7698531408718192
Energy: 1.8240578241891992
Energy: 1.7698531408718192
Energy: 1.8240578241891992
Energy: 1.7698531408707492
Energy: 1.7574081604683203
Energy: 1.7785474187205228
Energy: 1.7574081604672505
Energy: 1.7785474187205228
Energy: 1.7574081604683203
Energy: 1.7785474187205228
Energy: 1.7933119782150462
Energy: 1.8423829059199137
Energy: 1.7933119782150462
Energy: 1.8423829059199137
Energy: 1.7933119782102316
Energy: 1.8423829059199137
Energy: 1.7890353683794684
Energy: 1.7858898470402165
Energy: 1.7890353683794684
Energy: 1.7858898470402165
Energy: 1.7890353683794684
Energy: 1.7858898470402165
Energy: 1.8027809009408267
Energy: 1.7838499294953707
Energy: 1.8027809009402915
Energy: 1.7838499294948358
Energy: 1.8027809009408267
Energy: 1.7838499294953707
Energy: 1.7527692033016913
Energy: 1.8334115978312544
Energy: 1.7527692033011564
Energy: 1.8334115978296497
Energy: 1.7527692033022257
Energy: 1.8334115978323247
Energy: 1.758438274257087
Energy: 1.7801064960652748
Energy: 1.758438274257087
Energy: 1.7801064960642048
Energy: 1.758438274256552
Energy: 1.7801064960642048
Energy: 1.7731939137243895
Energy: 1.7730456178156868
Energy: 1.7731939137222497
Energy: 1.773045617816222
Energy: 1.7731939137227848
Energy: 1.7730456178156868
Energy: 1.7888359255743087
Energy: 1.784180912058444
Energy: 1.7888359255737738
Energy: 1.784180912057374
Energy: 1.7888359255732391
Energy: 1.784180912057374
Energy: 1.760267762534425
Energy: 1.9924640926343218
Energy: 1.7602677625354946
Energy: 1.9924640926332517
Energy: 1.7602677625349599
Energy: 1.9924640926321817
Energy: 1.859314656794578
Energy: 1.7713729918084344
Energy: 1.859314656794578
Energy: 1.7713729918084344
Energy: 1.859314656794043
Energy: 1.7713729918084344
Energy: 1.8494535732790904
Energy: 1.7776917128731695
Energy: 1.8494535732790904
Energy: 1.7776917128731695
Energy: 1.8494535732780204
Energy: 1.7776917128731695
Energy: 1.7516577763388614
Energy: 1.9402915719121208
Energy: 1.7516577763399312
Energy: 1.9402915719121208
Energy: 1.751657776338326
Energy: 1.9402915719121208
Energy: 1.8234253253059118
Energy: 1.7847502159579058
Energy: 1.8234253253064463
Energy: 1.7847502159584407
Energy: 1.8234253253053767
Energy: 1.7847502159579058
Energy: 1.7567879104057036
Energy: 1.7823588231339782
Energy: 1.7567879104078434
Energy: 1.782358823132373
Energy: 1.7567879104083783
Energy: 1.7823588231313037
Energy: 1.7960944604651332
Energy: 1.8496961868254167
Energy: 1.7960944604683426
Energy: 1.8496961868254167
Energy: 1.7960944604597833
Energy: 1.8496961868248818
Energy: 1.7954037792631352
Energy: 1.7831400683187948
Energy: 1.7954037792620654
Energy: 1.7831400683187948
Energy: 1.7954037792636701
Energy: 1.7831400683187948
Energy: 1.94376931424413
Energy: 1.7729954861772685
Energy: 1.94376931424413
Energy: 1.7729954861767334
Energy: 1.94376931424413
Energy: 1.7729954861772685
Energy: 1.757645435733263
Energy: 1.8165842839875834
Energy: 1.7576454357316584
Energy: 1.8165842839865138
Energy: 1.757645435732728
Energy: 1.8165842839859787
Energy: 1.7598714539524805
Energy: 1.8014332520815266
Energy: 1.7598714539524805
Energy: 1.8014332520820617
Energy: 1.7598714539530154
Energy: 1.8014332520820617
Energy: 1.8598363405618583
Energy: 1.7823279660590439
Energy: 1.8598363405613234
Energy: 1.782327966058509
Energy: 1.8598363405613234
Energy: 1.782327966058509
Energy: 1.8534263959976447
Energy: 1.7758225839613608
Energy: 1.8534263959965749
Energy: 1.7758225839629656
Energy: 1.8534263959971098
Energy: 1.775822583961896

minimum gb energy = 1.7510373821026797 eV
minimum distance =  2.28591840386739 Angstroms
sigma value = 33


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

Energy: 0.018257054597444453
Energy: 1.127219351472965
Energy: 0.018257054597444453
Energy: 1.1272193514725701
Energy: 0.018257054597444453
Energy: 1.127219351472965
Energy: 0.01920731789094893
Energy: 0.35935497381951464
Energy: 0.01920731789139341
Energy: 0.35935497382035425
Energy: 0.01920731789139341
Energy: 0.35935497382079873
Energy: 1.1277707647891424
Energy: 0.35963270529484864
Energy: 1.1277707647265696
Energy: 0.35963252517439903
Energy: 1.127770757330331
Energy: 0.359632671213243
Energy: 0.01920731789050445
Energy: 0.35935497382079873
Energy: 0.01920731789094893
Energy: 0.35935497382079873
Energy: 0.01920731789050445
Energy: 0.3593549738199097

minimum gb energy = 0.018257054597444453 eV
minimum distance =  2.53870758764696 Angstroms
sigma value = 1