Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8599998205900192
cohesive_energy=1.5373099021567544
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.0047595386619148205
Energy: 0.004940331840648984
Energy: 2.2548055065077888
Energy: 0.004940331840648984
Energy: 0.004940331840648984
Energy: 0.004887889866463599
Energy: 0.49513635374801734
Energy: 0.004887889866463599
Energy: 2.254805506507886
Energy: 0.49513635374801734
Energy: 0.4950422135406514
Energy: 0.49513635374801734
Energy: 0.004940331840648984
Energy: 0.004887889866463599
Energy: 0.4951363537481148
Energy: 0.004887889866366175

minimum gb energy = 0.0047595386619148205 eV
minimum distance =  2.47431214237421 Angstroms
sigma value = 1


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

Energy: 1.2373032908489603
Energy: 1.458727424176899
Energy: 0.8858472774940189
Energy: 1.458727424176775
Energy: 1.4422984298783244
Energy: 0.9325788121828696
Energy: 0.909741546162094
Energy: 0.9325788121833529
Energy: 1.5313458341301034
Energy: 0.8444871756347315
Energy: 0.8232484478418819
Energy: 0.8444871756353391
Energy: 1.273002054385355
Energy: 1.1794618048481778
Energy: 0.8786596702503779
Energy: 1.1794618048476944
Energy: 1.27109052414471
Energy: 1.103946151760427
Energy: 1.2369911535321807
Energy: 1.1039461517603162
Energy: 1.3469043212702356
Energy: 0.9974943396251708
Energy: 0.8044503462523931
Energy: 0.9974943396249222
Energy: 1.0662097981985523
Energy: 1.1686530591749644
Energy: 0.8041366032476759
Energy: 1.168653059175075
Energy: 0.7959022100901149
Energy: 1.0415542472046109
Energy: 1.2423333378798294
Energy: 1.0415542472042518
Energy: 1.0680311372033657
Energy: 1.0852549994721208
Energy: 1.1914334694580344
Energy: 1.0852549994720102
Energy: 1.4351431975501427
Energy: 1.2803236308069803
Energy: 1.0191303857772287
Energy: 1.2803236308069803
Energy: 0.8200177333123297
Energy: 0.9466331806597321
Energy: 1.1967956012631646
Energy: 0.9466331806603397
Energy: 0.8197737114200186
Energy: 0.8199540010943622
Energy: 1.7234438138547503
Energy: 0.8199540010944866
Energy: 1.11382041917095
Energy: 1.1905466217815228
Energy: 1.2675461776839672
Energy: 1.1905466217812744
Energy: 0.8446698607591913
Energy: 1.2421000939354359
Energy: 1.2536175472515354
Energy: 1.2421000939356708
Energy: 0.8443660553506754
Energy: 1.1094612227304008
Energy: 1.3492828575868243
Energy: 1.1094612227305252
Energy: 0.8444940822764737
Energy: 0.804675573241031
Energy: 1.3165376533185413
Energy: 0.8046755732407823
Energy: 0.8451417155239326
Energy: 1.242671901738057
Energy: 1.2438022786296352
Energy: 1.2426719017379326
Energy: 1.113817370512251
Energy: 1.1022376153529805
Energy: 1.244523799779652
Energy: 1.102237615352856
Energy: 0.812349370276149
Energy: 0.8198932431287302
Energy: 1.4594426816829529
Energy: 0.8198932431284817
Energy: 0.8206687143922697
Energy: 0.9466612015725514
Energy: 1.0595455403741856
Energy: 0.9466612015699964
Energy: 1.4346822710030873
Energy: 1.0315792000249326
Energy: 1.0182473073409342
Energy: 1.0315792000263826
Energy: 1.0160382220069415
Energy: 0.9826476459446541
Energy: 1.1889216924798334
Energy: 0.9826476459445438
Energy: 1.0335531942733345
Energy: 1.0307535729935793
Energy: 1.0550907974403785
Energy: 1.0307535729947945
Energy: 1.204136229429714
Energy: 1.1581377671183946
Energy: 0.8042224446934622
Energy: 1.1581377671187538
Energy: 1.3470117707350413
Energy: 0.9971981880321537
Energy: 0.8041816391249207
Energy: 0.997198188032278
Energy: 1.2717268119448708
Energy: 1.1039298038090606
Energy: 1.235595826380349
Energy: 1.1039298038090606
Energy: 1.2252656664732426
Energy: 1.16134450525807
Energy: 0.844662033582732
Energy: 1.161344505257697
Energy: 1.527236072693995
Energy: 0.844713360923209
Energy: 0.8234388390888256
Energy: 0.8447133609233333
Energy: 1.4034220342862247
Energy: 0.7978055839518792
Energy: 0.9100974205666519
Energy: 0.7978055839518792
Energy: 1.2376874681113268
Energy: 1.4586750633562897
Energy: 0.8453380357387094
Energy: 1.4586750633558065
Energy: 1.4437019179713493
Energy: 0.7979066241822389
Energy: 0.865606527003348
Energy: 0.7979066241846695
Energy: 1.3338860222742897
Energy: 0.9427257721223419
Energy: 0.8235986394246996
Energy: 0.9427257721241649
Energy: 1.2710422507421777
Energy: 1.0193085649755944
Energy: 0.9096467995708468
Energy: 1.0193085649712168

minimum gb energy = 0.7959022100901149 eV
minimum distance =  2.28852075326546 Angstroms
sigma value = 1


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

Energy: 1.3647082508641992
Energy: 1.3561076774879615
Energy: 0.9623959102046463
Energy: 1.3561076774926697
Energy: 1.234939693051951
Energy: 1.0247983764201565
Energy: 1.0695815160259032
Energy: 1.0247983764200146
Energy: 1.2858145559562
Energy: 0.8744058914074525
Energy: 0.8745250710804813
Energy: 0.8744058914074525
Energy: 0.8247537708340542
Energy: 1.211048528537672
Energy: 1.0697997678493303
Energy: 1.2110485285378139
Energy: 0.8247936086954798
Energy: 1.211047222690245
Energy: 1.4008885076659543
Energy: 1.211047222690245
Energy: 1.28559348488401
Energy: 0.8570477581348354
Energy: 0.8567580389655314
Energy: 0.8570477581348354
Energy: 0.8573035386533041
Energy: 1.0820407354993318
Energy: 0.8570260128665337
Energy: 1.082040735498639
Energy: 0.8568176080426239
Energy: 0.856953309418486
Energy: 1.4012097270466704
Energy: 0.856953309418486
Energy: 0.8572887560372054
Energy: 1.0249393998231773
Energy: 1.2918719760120259
Energy: 1.0249393998231773
Energy: 1.069555901477532
Energy: 0.8247363516180237
Energy: 0.8246715468633642
Energy: 0.8247363516178821
Energy: 0.8744008773811989
Energy: 1.0522956169419444
Energy: 1.2919197501270843
Energy: 1.0522956169419444
Energy: 0.9351626528484335
Energy: 1.0523915989693806
Energy: 1.670453494884906
Energy: 1.0523915989689712
Energy: 1.0697749923884785
Energy: 1.233497645416778
Energy: 1.3727942844580736
Energy: 1.233497645416778
Energy: 1.0697749923879272
Energy: 1.2335609893481307
Energy: 1.3729653464989426
Energy: 1.2335609893481307
Energy: 0.9352775979449899
Energy: 1.0526113982052048
Energy: 1.6704726279942193
Energy: 1.0526113982050633
Energy: 0.8745714551547359
Energy: 1.0524073361665947
Energy: 1.2919214013941194
Energy: 1.0524073361671455
Energy: 1.069555901477532
Energy: 0.824680789432967
Energy: 0.8246743868268693
Energy: 0.824680789432967
Energy: 0.8568008108577001
Energy: 1.025152254739541
Energy: 1.2918992124978437
Energy: 1.025152254739541
Energy: 0.856813082772348
Energy: 0.8569013863066232
Energy: 1.4012097270461192
Energy: 0.8569013863066232
Energy: 0.8572319614476315
Energy: 1.0818903290174813
Energy: 0.856794615877801
Energy: 1.0818903290177646
Energy: 1.2857566432097278
Energy: 0.8569323941040056
Energy: 0.8567403300717807
Energy: 0.8569323941040056
Energy: 0.8247933317266535
Energy: 1.2110763635616821
Energy: 1.4008885076647102
Energy: 1.2110763635616821
Energy: 0.8247062304423814
Energy: 1.2110556414801403
Energy: 1.0697997678491886
Energy: 1.211055641480282
Energy: 1.2858637937872281
Energy: 0.8744101414274686
Energy: 0.8745291497855114
Energy: 0.874410141427327
Energy: 1.2348710934020986
Energy: 1.0247974258774095
Energy: 1.0695815160264546
Energy: 1.0247974258775514
Energy: 1.3647082508641992
Energy: 1.3561076774922445
Energy: 0.962395910204788
Energy: 1.3561076774904495
Energy: 1.2349396930522345
Energy: 1.024798376419873
Energy: 1.0695815160259032
Energy: 1.0247983764200146
Energy: 1.2858145559559166
Energy: 0.8744058914073107
Energy: 0.8745250710804813
Energy: 0.8744058914073107
Energy: 0.8247537708341961
Energy: 1.211048528537672
Energy: 1.0697997678467008
Energy: 1.2110485285378139

minimum gb energy = 0.8246715468633642 eV
minimum distance =  2.31219883791617 Angstroms
sigma value = 25


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

Energy: 1.1780837295770954
Energy: 1.4937916772693374
Energy: 1.053439618896314
Energy: 1.4937916772691724
Energy: 1.44893100573489
Energy: 0.9012907417195728
Energy: 1.0706988618220223
Energy: 0.9012907417197284
Energy: 1.4063908262057514
Energy: 0.9424085978789758
Energy: 0.9424270451113328
Energy: 0.9424085978788203
Energy: 1.2256346953568802
Energy: 0.9010897566217965
Energy: 1.0684969181736699
Energy: 0.9010897593175596
Energy: 1.196238421131464
Energy: 0.9011152932374109
Energy: 1.2239157875412434
Energy: 0.9011152931068355
Energy: 1.4080624842457075
Energy: 0.9011426099003138
Energy: 0.9013220778414758
Energy: 0.9011426099001489
Energy: 0.9350381804230066
Energy: 0.9004692228816104
Energy: 0.900996974383873
Energy: 0.900469222881775
Energy: 0.9074239479519169
Energy: 0.9354213993726326
Energy: 1.4653573850918182
Energy: 0.9354213993724677
Energy: 1.0206022248050777
Energy: 1.0636117690066442
Energy: 1.217705793982524
Energy: 1.063611769006809
Energy: 0.9893229057608695
Energy: 1.1975603245162894
Energy: 1.1920698366942002
Energy: 1.19756032451596
Energy: 1.0208587253945345
Energy: 1.1638514135591222
Energy: 1.47014567255378
Energy: 1.1638514135584817
Energy: 0.9885283407318098
Energy: 0.9349397560815408
Energy: 1.4702260290140496
Energy: 0.934939756081376
Energy: 0.9898125953465597
Energy: 1.1812720353916495
Energy: 1.1921403689982721
Energy: 1.1812720353919697
Energy: 1.0205898267786682
Energy: 1.0635914286730404
Energy: 1.218142532989286
Energy: 1.0635914286783574
Energy: 0.9178949448342695
Energy: 0.9350732639057461
Energy: 1.6191739238891272
Energy: 0.9350732639060664
Energy: 0.9349945761718974
Energy: 1.1495052891635245
Energy: 0.9010937445514969
Energy: 1.149505289163195
Energy: 1.7002990236503024
Energy: 0.90136613845599
Energy: 0.9012167993721861
Energy: 0.901366138456466
Energy: 1.1692276052078139
Energy: 0.9006889935969135
Energy: 1.223895929967707
Energy: 0.9006889935978745
Energy: 1.2228264260429016
Energy: 1.0425954668675717
Energy: 1.0682464699712866
Energy: 1.0425954668696584
Energy: 1.169061953695108
Energy: 1.028142316724617
Energy: 0.9424300490685289
Energy: 1.028142316723647
Energy: 1.522850660310362
Energy: 0.9012537148782794
Energy: 0.957467040560978
Energy: 0.9012537148771537
Energy: 1.1778524515557156
Energy: 1.4926490584876306
Energy: 0.9877025641438354
Energy: 1.4926490584874659
Energy: 1.3846720039703408
Energy: 0.9593567882665559
Energy: 1.069827372640643
Energy: 0.959356788266071
Energy: 1.406699440788925
Energy: 0.9424570851152723
Energy: 0.9422721589297136
Energy: 0.9424570851155928
Energy: 1.1691863798948836
Energy: 1.032564744909017
Energy: 0.9575062832149849
Energy: 1.032564744971655

minimum gb energy = 0.9004692228816104 eV
minimum distance =  2.29300483593066 Angstroms
sigma value = 9


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

Energy: 0.8994492442213314
Energy: 0.899490266367284
Energy: 1.1416834965262963
Energy: 0.8994902663670985
Energy: 0.8993260949945595
Energy: 0.982003379679545
Energy: 0.9819184186381625
Energy: 0.982003379679545
Energy: 1.0731274105625543
Energy: 1.0173113764991224
Energy: 1.017362129362118
Energy: 1.0173113764991224
Energy: 0.9820246086814909
Energy: 0.9821087343342034
Energy: 1.0731777367476503
Energy: 0.9821087343342034
Energy: 0.9819942767020576
Energy: 0.9819769699942752
Energy: 1.0728621347339526
Energy: 0.9819769699944717
Energy: 1.7189217876555234
Energy: 0.9821260427754247
Energy: 0.9821905204720177
Energy: 0.9821260427754247
Energy: 1.0731186265259032
Energy: 0.9820484863489086
Energy: 0.9819703069141384
Energy: 0.9820484863489086
Energy: 1.0733156526280874
Energy: 1.073068526399383
Energy: 1.5086847285228424
Energy: 1.073068526399383
Energy: 1.3226419965006986
Energy: 0.9822432193826909
Energy: 0.8993008868774036
Energy: 0.9822432193826909
Energy: 1.3222952905746668
Energy: 0.8993724119347805
Energy: 0.8994332815796079
Energy: 0.8993724119347805
Energy: 1.0730762050893399
Energy: 1.0672714890799924
Energy: 1.5084388528318207
Energy: 1.0672714890799924
Energy: 1.0173947768700011
Energy: 0.899374230872136
Energy: 1.0729282807391962
Energy: 0.8993742308715574
Energy: 1.3223474986625274
Energy: 0.9824742964824397
Energy: 0.9824636972298197
Energy: 0.9824742964824397
Energy: 0.9820015676658019
Energy: 0.9872385572927004
Energy: 0.9821104305070244
Energy: 0.9872385572925038
Energy: 0.9824691676864195
Energy: 0.9824000035322351
Energy: 1.3223474986625274
Energy: 0.9824000035322351
Energy: 1.073384883653451
Energy: 0.8993868472226928
Energy: 1.0172845207058228
Energy: 0.8993868472232714
Energy: 1.508495992657772
Energy: 1.067208416022418
Energy: 1.0731740034081143
Energy: 1.0672084160226145
Energy: 0.8994524213075921
Energy: 0.8994019591434561
Energy: 1.3222952905746668
Energy: 0.8994019591436526
Energy: 0.899278173772097
Energy: 0.9821873390551242
Energy: 1.3226419965006986
Energy: 0.9821873390551242
Energy: 1.5085425200696156
Energy: 1.0731385652346643
Energy: 1.0733083329450641
Energy: 1.0731385652344676
Energy: 0.9819689708088581
Energy: 0.9820553779824479
Energy: 1.073073400998943
Energy: 0.9820553779828302

minimum gb energy = 0.899278173772097 eV
minimum distance =  2.35313531537647 Angstroms
sigma value = 25


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

Energy: 0.9923590778854356
Energy: 1.4951909043070855
Energy: 1.2382060341340897
Energy: 1.4951909043068559
Energy: 1.3856411216922233
Energy: 1.2359186958348989
Energy: 1.104191310842558
Energy: 1.2359186958344262
Energy: 1.1958962470370809
Energy: 1.1040262546056674
Energy: 1.115782580627103
Energy: 1.104026254605897
Energy: 1.0764862637868269
Energy: 1.0625599149075549
Energy: 1.1001675339542396
Energy: 1.0625599149075549
Energy: 1.1957545865513906
Energy: 1.1109469086978523
Energy: 1.4569147893314955
Energy: 1.1109469086976094
Energy: 1.5539331753683434
Energy: 1.0041146744951248
Energy: 1.003673956735731
Energy: 1.0041146744948817
Energy: 1.1903389172243268
Energy: 1.0618572808729083
Energy: 1.003922432975031
Energy: 1.0618572808952411
Energy: 1.1750304387482715
Energy: 1.1898764780958133
Energy: 1.4866918727138811
Energy: 1.1898764780958133
Energy: 1.1902420380409982
Energy: 1.004439958746464
Energy: 1.0040541647478114
Energy: 1.0044399587466937
Energy: 1.1956875430577079
Energy: 1.0039835512836066
Energy: 1.0043396863077712
Energy: 1.0039835512836066
Energy: 1.0617242503027302
Energy: 1.0617214264628163
Energy: 1.4315029012994853
Energy: 1.0617214264628163
Energy: 1.0630583063022254
Energy: 1.0037734062232722
Energy: 1.0993348886685825
Energy: 1.00377340621829
Energy: 1.3175844256313491
Energy: 1.1013524726262396
Energy: 1.1016551105925068
Energy: 1.10135247262601
Energy: 1.3856173261795306
Energy: 1.098214123054287
Energy: 1.3756834892398748
Energy: 1.0982141230547595
Energy: 1.4538503522367414
Energy: 1.2312793534823276
Energy: 1.3760100646013689
Energy: 1.231279353487796
Energy: 1.385419974273573
Energy: 1.0472373635419094
Energy: 1.09948936779053
Energy: 1.0472373635416663
Energy: 1.1342041381011065
Energy: 1.0036599243810602
Energy: 1.1017141589665955
Energy: 1.003659924380817

minimum gb energy = 0.9923590778854356 eV
minimum distance =  2.34405743775087 Angstroms
sigma value = 17


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

Energy: 1.2782475943753948
Energy: 1.2837317531478682
Energy: 1.3208079283037766
Energy: 1.2837317531474703
Energy: 1.3551579116940928
Energy: 1.2407572156922304
Energy: 1.2042929041688681
Energy: 1.2407572156922304
Energy: 1.2433026534697997
Energy: 1.0835569163160135
Energy: 1.0888022299345301
Energy: 1.0835569163160135
Energy: 1.0789353741352357
Energy: 1.0531423905760529
Energy: 1.1602226470455013
Energy: 1.0531423905763282
Energy: 1.1297791898915115
Energy: 1.1095073154058965
Energy: 1.3017949096099237
Energy: 1.1095073154057589
Energy: 1.6481622932749789
Energy: 1.3060323345865994
Energy: 1.026603128586046
Energy: 1.3060323345883584
Energy: 1.2694959878072694
Energy: 1.2159697287096567
Energy: 1.3011859848913747
Energy: 1.2159697287093811
Energy: 1.1291414886810942
Energy: 1.0532356071233495
Energy: 1.3733264442918873
Energy: 1.0532356071209328
Energy: 1.130635312565724
Energy: 1.0583571067871416
Energy: 1.0568844311223655
Energy: 1.0583571067864688
Energy: 1.4150141163421066
Energy: 1.1024430545420196
Energy: 1.1360845223922622
Energy: 1.1024430545422796
Energy: 1.0360756322106106
Energy: 1.0363576889328772
Energy: 1.3790147437312974
Energy: 1.0363576889332904
Energy: 1.0355306237962834
Energy: 1.058506529925534
Energy: 1.2068793956723287
Energy: 1.058506529926207
Energy: 1.415023880513098
Energy: 1.1341419484879325
Energy: 1.1900326895271405
Energy: 1.1341419484879325
Energy: 1.035725252512536
Energy: 1.0355380465861224
Energy: 1.177846053992411
Energy: 1.0355380465858623
Energy: 1.0355703163615093
Energy: 1.1939904930432625
Energy: 1.4756393875085292
Energy: 1.1939904930432625
Energy: 1.3570422437962466
Energy: 1.0593676396454996
Energy: 1.0476083806980128
Energy: 1.0593676396454996
Energy: 1.127830453527464
Energy: 1.2903802890434044
Energy: 1.0586701938139078
Energy: 1.2903802890434044
Energy: 1.123312410752561
Energy: 1.1451152897748806
Energy: 1.5279668443188315
Energy: 1.1451152897750183
Energy: 1.270280124831335
Energy: 1.2800090863589777
Energy: 1.146177692921527
Energy: 1.2800090863585647
Energy: 1.477929272502882
Energy: 1.170457463481768
Energy: 1.2642019912493165
Energy: 1.1704574634812173
Energy: 1.056558550254648
Energy: 1.0918021204869093
Energy: 1.3317590352082438
Energy: 1.091802120487047
Energy: 1.0560949340875863
Energy: 1.0589264026286487
Energy: 1.0890498923197958
Energy: 1.0589264026283733
Energy: 1.299593531412818
Energy: 1.0885541952543654
Energy: 1.0886019527561905
Energy: 1.08855419525409
Energy: 1.245191916120478
Energy: 1.1788427024024122
Energy: 1.361702564397772
Energy: 1.178842702326141
Energy: 1.286061066291263
Energy: 1.0341807775350138
Energy: 1.3613188214925285
Energy: 1.0341807775359466
Energy: 1.3232255910087165
Energy: 1.092420503221381
Energy: 1.0889168126222344
Energy: 1.092420503221656
Energy: 1.0566183730435554
Energy: 1.0588281925118905
Energy: 1.0966551088999987
Energy: 1.058828192511753
Energy: 1.0560856151188347
Energy: 1.0555935293980117
Energy: 1.333636632909802
Energy: 1.0555935293981493
Energy: 1.379112743975243
Energy: 1.1021698803659326
Energy: 1.2653615640580658
Energy: 1.1021698803656572
Energy: 1.2705025195846256
Energy: 1.2629670834924338
Energy: 1.0254592351424554
Energy: 1.2629670834924338

minimum gb energy = 1.0254592351424554 eV
minimum distance =  2.27704071798104 Angstroms
sigma value = 53


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

Energy: 1.0145187374611002
Energy: 1.014544639262903
Energy: 1.6775840709508214
Energy: 1.014544639262595
Energy: 1.1961146696410372
Energy: 1.096247447781231
Energy: 1.1959594113120284
Energy: 1.0962474477846376
Energy: 1.5216042168927497
Energy: 1.0927963299854546
Energy: 1.3483871523192195
Energy: 1.0927963299854546
Energy: 1.3483826086447348
Energy: 1.0928931211056476
Energy: 1.5211514811442983
Energy: 1.0928931211056476
Energy: 1.1960530997775025
Energy: 1.1183509688415976
Energy: 1.1958475789854128
Energy: 1.1183509688412894
Energy: 2.3748745433780507
Energy: 1.014544639262595
Energy: 1.0145187374611002
Energy: 1.014544639263211
Energy: 1.1959594113120284
Energy: 1.096247447780606
Energy: 1.1961146696404208
Energy: 1.0962474477852537
Energy: 1.3483871523192195
Energy: 1.0927963299854546
Energy: 1.5216042168927497
Energy: 1.0927963299854546
Energy: 1.5211514811439901
Energy: 1.0928931211065718
Energy: 1.3483826086447348
Energy: 1.0928931211065718
Energy: 1.1958475789854128
Energy: 1.1183509688425306
Energy: 1.1960530997775025
Energy: 1.1183509688422226
Energy: 1.0145187374611002
Energy: 1.014544639262903
Energy: 1.677584075229714
Energy: 1.014544639262903
Energy: 1.196114669640729
Energy: 1.096247447785562
Energy: 1.1959594113120284
Energy: 1.0962474477781325
Energy: 1.5216042168924417
Energy: 1.0927963299851378
Energy: 1.3483871523189026
Energy: 1.0927963299854546

minimum gb energy = 1.0145187374611002 eV
minimum distance =  2.35398979491818 Angstroms
sigma value = 9


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

Energy: 1.186183104131158
Energy: 1.4366134261067522
Energy: 1.7754771789742125
Energy: 1.436613426106635
Energy: 1.4223973975108295
Energy: 1.266003843671169
Energy: 1.3146859754170794
Energy: 1.266003843671638
Energy: 1.2217362736719264
Energy: 1.1253715703597895
Energy: 1.1249462646212236
Energy: 1.1253715703597895
Energy: 1.2040692460485298
Energy: 1.14687564680371
Energy: 1.2184784327267495
Energy: 1.1468756468034755
Energy: 1.3369048707853464
Energy: 1.2602858006261912
Energy: 1.4057424424283764
Energy: 1.2602858006262951
Energy: 1.640845401724293
Energy: 1.2181224203057934
Energy: 1.1926753408655055
Energy: 1.218122420305911
Energy: 1.1923036805831797
Energy: 1.2423901121274818
Energy: 1.458273793738606
Energy: 1.2423901121274818
Energy: 1.1463905095468885
Energy: 1.1029749540310447
Energy: 1.2355545287882097
Energy: 1.1029749540306928
Energy: 1.1904422812161963
Energy: 1.1251971325316454
Energy: 1.208647037406768
Energy: 1.1251971325317627
Energy: 1.1966283212974216
Energy: 1.263717576307089
Energy: 1.2889795120529972
Energy: 1.2637175763069717
Energy: 1.0741768484332503
Energy: 1.2305843161395345
Energy: 1.5878479799784593
Energy: 1.2305843160896623
Energy: 1.5411064312581446
Energy: 1.2134141730839927
Energy: 1.1723663703836007
Energy: 1.2134141730839927
Energy: 1.2193063508637074
Energy: 1.0840636653442992
Energy: 1.0847959817906294
Energy: 1.0840636653444162
Energy: 1.2600991175949066
Energy: 1.1473754608812994
Energy: 1.2713199100618104
Energy: 1.1473754608809474
Energy: 1.2911508174758057
Energy: 1.1030864152431854
Energy: 1.1484964067188126
Energy: 1.1030864152457005
Energy: 1.5447227101950418
Energy: 1.0841416509698127
Energy: 1.0841896490232539
Energy: 1.0841416509702688
Energy: 1.2514948925819231
Energy: 1.1957281670068391
Energy: 1.5957489651918004
Energy: 1.1957281670094846
Energy: 1.074787537811291
Energy: 1.2521213243340976
Energy: 1.2869519683951758
Energy: 1.2521213243339802
Energy: 1.4651786836635952
Energy: 1.201812584991846
Energy: 1.2194893880119375
Energy: 1.2018125849901258
Energy: 1.1658896194223702
Energy: 1.0843489611434474
Energy: 1.2079495946001473
Energy: 1.0843489611432129
Energy: 1.1414623505798092
Energy: 1.102929260323685
Energy: 1.417907872393265
Energy: 1.1029292603235679
Energy: 1.4066011192040142
Energy: 1.2623144512690485
Energy: 1.1818933028968934
Energy: 1.2623144512686963
Energy: 1.4065491698071149
Energy: 1.2320661002370215
Energy: 1.1815398074876031
Energy: 1.2320661002368
Energy: 1.222797948861854
Energy: 1.1950360212668332
Energy: 1.5139837147608999
Energy: 1.1950360212653475
Energy: 1.2034213995326408
Energy: 1.103021309268418
Energy: 1.1425730594069572
Energy: 1.1030213092621108
Energy: 1.315980089379631
Energy: 1.1294314288230136
Energy: 1.1622132027823864
Energy: 1.1294314288218668
Energy: 1.3918854946030446
Energy: 1.2014990647471173
Energy: 1.5670345139292736
Energy: 1.2014990647468826
Energy: 1.185480607674964
Energy: 1.3395826708816991
Energy: 1.5665872549345548
Energy: 1.3395826708816991
Energy: 1.450116775932491
Energy: 1.129222584693108
Energy: 1.1681466073200284
Energy: 1.1292225846932125
Energy: 1.1986608483519048
Energy: 1.2176414020086006
Energy: 1.1426200839741536
Energy: 1.2176414020106594
Energy: 1.2040120024142822
Energy: 1.1952724943407727
Energy: 1.4375965124970382
Energy: 1.1952724943404338
Energy: 1.4065451159892437
Energy: 1.2091604683831858
Energy: 1.183443948817784
Energy: 1.2091604683835246
Energy: 1.6176897797134187
Energy: 1.2616134045326584
Energy: 1.181959011606715
Energy: 1.2616134045328933
Energy: 1.1441678464532092
Energy: 1.1028869176376757
Energy: 1.4172519854901338
Energy: 1.1028869176373237
Energy: 1.1395719804663909
Energy: 1.0844764156180327
Energy: 1.207390949839673
Energy: 1.08447641562434

minimum gb energy = 1.0741768484332503 eV
minimum distance =  2.33513723599712 Angstroms
sigma value = 73


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

Energy: 1.2652365391849252
Energy: 1.2807192472324767
Energy: 1.433100862457899
Energy: 1.2807192472324767
Energy: 1.2398068999502234
Energy: 1.240755804552076
Energy: 1.2754807594283766
Energy: 1.2407558045522515
Energy: 1.2677457408045578
Energy: 1.1630834454139942
Energy: 1.2133833047107099
Energy: 1.1630834454139942
Energy: 1.1954718384136311
Energy: 1.1025228281741848
Energy: 1.2553367769343657
Energy: 1.1025228281743606
Energy: 1.3907584209885298
Energy: 1.1041866177030653
Energy: 1.2777275388021847
Energy: 1.104186617704161
Energy: 1.805313340157904
Energy: 1.3104825407210992
Energy: 1.0733816155792937
Energy: 1.310482540720913
Energy: 1.1988332755065536
Energy: 1.2993857555018222
Energy: 1.35670542225969
Energy: 1.2993857555027322
Energy: 1.1030128818562994
Energy: 1.1025875337106197
Energy: 1.2697439758063798
Energy: 1.102587533710258
Energy: 1.3461792910487387
Energy: 1.1635409870097149
Energy: 1.3414099944697342
Energy: 1.1635409870097149
Energy: 1.198808452093333
Energy: 1.1629900942451357
Energy: 1.3617898606089935
Energy: 1.1629900942453217
Energy: 1.1006278491538901
Energy: 1.1027071222916254
Energy: 1.5836663741182568
Energy: 1.1027071222914393
Energy: 1.4781653249574496
Energy: 1.257682710977634
Energy: 1.2772855513677106
Energy: 1.257682710977634
Energy: 1.3887520256587556
Energy: 1.3117334613663976
Energy: 1.071277133155953
Energy: 1.311733461366222
Energy: 1.2875514121275922
Energy: 1.3865231705414593
Energy: 1.6539023924744187
Energy: 1.3865231705412733
Energy: 1.1962426296897408
Energy: 1.1025020507741938
Energy: 1.164930813240288
Energy: 1.102502050774556
Energy: 1.254971963812881
Energy: 1.1643260312936923
Energy: 1.1832407505621296
Energy: 1.1643260312936923
Energy: 1.2398350708520558
Energy: 1.2256548227852821
Energy: 1.5562761197824004
Energy: 1.2256548227852821
Energy: 1.23976800220671
Energy: 1.273526425484783
Energy: 1.5565986306062758
Energy: 1.273526425484969
Energy: 1.546095892789684
Energy: 1.1642558091118227
Energy: 1.2583142325492909
Energy: 1.1642558091119983
Energy: 1.2272265752889846
Energy: 1.1011440402261252
Energy: 1.2132106325152459
Energy: 1.1011440402250399
Energy: 1.267637289590583
Energy: 1.2688703232548777
Energy: 1.6901852370660078
Energy: 1.2688703232548777
Energy: 1.3880780836747575
Energy: 1.2345014394294673
Energy: 1.0672938724486865
Energy: 1.2345014394298293

minimum gb energy = 1.0672938724486865 eV
minimum distance =  2.26827332278536 Angstroms
sigma value = 7


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

Energy: 1.354239248519455
Energy: 1.3236848677849635
Energy: 1.4755365538586651
Energy: 1.3236848677847006
Energy: 1.312768476069055
Energy: 1.2133315994966816
Energy: 1.2379277981563388
Energy: 1.2133315994960383
Energy: 1.2851948670054223
Energy: 1.1338530238135922
Energy: 1.1348501578453951
Energy: 1.1338530238137239
Energy: 1.2871466276175612
Energy: 1.081807083547124
Energy: 1.2557553270876283
Energy: 1.081807083547124
Energy: 1.3300839757571348
Energy: 1.1337828527199632
Energy: 1.0713559336489697
Energy: 1.1337828527199632
Energy: 1.6732272627210356
Energy: 1.0778427397671733
Energy: 1.08218266284335
Energy: 1.0778427397671733
Energy: 1.1822256595441318
Energy: 1.322658092488056
Energy: 1.492813518694385
Energy: 1.322658092488056
Energy: 1.0821760059514622
Energy: 1.0777750999760283
Energy: 1.3272817204627176
Energy: 1.0777750999755165
Energy: 1.5333088810591866
Energy: 1.1335347258558928
Energy: 1.2126681985738426
Energy: 1.1335347258558928
Energy: 1.1348008134458698
Energy: 1.0817203672621432
Energy: 1.2566979869732295
Energy: 1.0817203672622744
Energy: 1.1329787754523268
Energy: 1.1327196136138187
Energy: 1.2389895092984822
Energy: 1.132719613614082
Energy: 1.700048193518568
Energy: 1.2219586533546931
Energy: 1.3129862308719238
Energy: 1.221958653354825
Energy: 1.6988347439225
Energy: 1.2900737271133709
Energy: 1.3135754398448476
Energy: 1.2900737271132392
Energy: 1.238282917214422
Energy: 1.131832413761128
Energy: 1.5926003475138777
Energy: 1.131832413761128
Energy: 1.132876662922028
Energy: 1.214380217652408
Energy: 1.286298165316277
Energy: 1.2143802176526712
Energy: 1.5335098094625685
Energy: 1.2336865859205648
Energy: 1.2860060234508344
Energy: 1.2336865860117492
Energy: 1.071612238499576
Energy: 1.1690389258032532
Energy: 1.327625849475139
Energy: 1.16903892580299
Energy: 1.071816634647511
Energy: 1.2723668003541995
Energy: 1.4607699410886128
Energy: 1.2723668003543165
Energy: 1.742374728722786
Energy: 1.0713514906229804
Energy: 1.0711534243525922
Energy: 1.071351490623375
Energy: 1.3270149980459434
Energy: 1.1341248008873235
Energy: 1.071405825819477
Energy: 1.1341248008874554
Energy: 1.2866736985413836
Energy: 1.261006982743087
Energy: 1.2383452407550353
Energy: 1.2610069827432184
Energy: 1.286302932935882
Energy: 1.1341292514176682
Energy: 1.132641238928838
Energy: 1.1341292514175512
Energy: 1.4560211855295915
Energy: 1.223456451788812
Energy: 1.2386134249632146
Energy: 1.2234564517886803
Energy: 1.338852498580463
Energy: 1.323674225250691
Energy: 1.6997022719184436
Energy: 1.323674225250691
Energy: 1.312413615890706
Energy: 1.248237527619793
Energy: 1.2115959533160983
Energy: 1.248237527619793
Energy: 1.2388751210496267
Energy: 1.1342988776596445
Energy: 1.132574436009924
Energy: 1.1342988776596445
Energy: 1.254338021704887
Energy: 1.081675044181537
Energy: 1.1332278737226584
Energy: 1.081675044181654
Energy: 1.3270100767184219
Energy: 1.1337557037217172
Energy: 1.3734552589661984
Energy: 1.1337557037216002
Energy: 1.3267599690977425
Energy: 1.08024439064507
Energy: 1.082538360458727
Energy: 1.0802443906452017
Energy: 1.4636319367991268
Energy: 1.321226066091343
Energy: 1.4636018253178709
Energy: 1.3212260660918547
Energy: 1.0825658055628233
Energy: 1.0801697643320147
Energy: 1.326759969101339
Energy: 1.0801697643320147

minimum gb energy = 1.0711534243525922 eV
minimum distance =  2.36016167024577 Angstroms
sigma value = 29


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

Energy: 0.9688730468457152
Energy: 1.3470990363517485
Energy: 1.6421146294901114
Energy: 1.3470990363513005
Energy: 1.4802634941020771
Energy: 1.0756307372659972
Energy: 1.0982280077651914
Energy: 1.0756307372659972
Energy: 1.3316744339181057
Energy: 1.0696266624434554
Energy: 1.0626363753159467
Energy: 1.0696266624434554
Energy: 1.4587925580912398
Energy: 1.0951984639507424
Energy: 1.2168218302267189
Energy: 1.0951984639507424
Energy: 1.4602766568361238
Energy: 1.2172092831626504
Energy: 1.055045371132713
Energy: 1.2172092831626504
Energy: 1.3317900047274676
Energy: 1.0622181772092611
Energy: 1.0620640768271228
Energy: 1.0622181772092611
Energy: 1.4430850718150985
Energy: 1.0622515448829757
Energy: 1.4475634338660106
Energy: 1.0622515448834238
Energy: 0.9685719293581023
Energy: 1.0550157966065838
Energy: 1.8407725781216986
Energy: 1.0550157966079032
Energy: 1.479002103798854
Energy: 1.0620739604149805
Energy: 1.2167805434624457
Energy: 1.0620739604149805

minimum gb energy = 0.9685719293581023 eV
minimum distance =  2.38056713300618 Angstroms
sigma value = 5


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

Energy: 1.3144308742490456
Energy: 1.1499106851915046
Energy: 1.7089547675745016
Energy: 1.1499106851787577
Energy: 1.4953055176172665
Energy: 1.3051666693114246
Energy: 1.2838448607051236
Energy: 1.3051666693114246
Energy: 1.1265464981117432
Energy: 1.2858196293927033
Energy: 1.1929035901559888
Energy: 1.2858196293924546
Energy: 1.1254550907883256
Energy: 1.1806828999428163
Energy: 1.3189255141204845
Energy: 1.1806828999431893
Energy: 1.0638350862705777
Energy: 1.2314740850642776
Energy: 1.1437589072297574
Energy: 1.2314740850641532
Energy: 1.2435567412247954
Energy: 1.2448894922789617
Energy: 1.1401655996119695
Energy: 1.2448894922791964
Energy: 1.2403044679650532
Energy: 1.232634940249229
Energy: 1.3156600242668415
Energy: 1.2326349402487455
Energy: 1.264668990681457
Energy: 1.2327010310013153
Energy: 1.4688595860161575
Energy: 1.2327010310015503
Energy: 1.5028795432818716
Energy: 1.1542842243055194
Energy: 1.2426091614860333
Energy: 1.1542842243056297
Energy: 1.459523859681342
Energy: 1.1542515974217562
Energy: 1.2688492986578186
Energy: 1.154251597421397
Energy: 1.1680371575407655
Energy: 1.225032127464264
Energy: 1.1926173105589686
Energy: 1.2250321274637805
Energy: 1.1750719858771261
Energy: 1.2565139330109876
Energy: 1.0895593976516742
Energy: 1.2565139330106145
Energy: 1.3918510240112465
Energy: 1.215278914669314
Energy: 1.0904359703428088
Energy: 1.2152789146694385
Energy: 1.1417128591461245
Energy: 1.2186256796620993
Energy: 1.0898006930017443
Energy: 1.2186256796617265
Energy: 1.219105431455983
Energy: 1.297580280625557
Energy: 1.3908391583212891
Energy: 1.297580280625916
Energy: 1.5326759494787159
Energy: 1.155853908149307
Energy: 1.3180682317576036
Energy: 1.1558539081499148
Energy: 1.403764695967312
Energy: 1.1435966658990873
Energy: 1.3581658472930533
Energy: 1.1435966659241115
Energy: 1.184165102051391
Energy: 1.2785948100710807
Energy: 1.3624460452367755
Energy: 1.2785948100710807
Energy: 1.2660275017412403
Energy: 1.1562646492317015
Energy: 1.1966937060518898
Energy: 1.1562646492317015
Energy: 1.1529437097109576
Energy: 1.263109380651227
Energy: 1.1245599798075898
Energy: 1.263109380651227
Energy: 1.1457444411605058
Energy: 1.179759966397967
Energy: 1.2041245896132893
Energy: 1.1797599663985745
Energy: 1.2835691389192068
Energy: 1.232075314301997
Energy: 1.1805297652283084
Energy: 1.2320753143022456
Energy: 1.1260847846262998
Energy: 1.2951939472032146
Energy: 1.1531572309808935
Energy: 1.2951939472029659
Energy: 1.391098785185381
Energy: 1.1337023134413426
Energy: 1.5576790882161304
Energy: 1.133702313441467
Energy: 1.4502320678393124
Energy: 1.1502773424500028
Energy: 1.6662640523853913
Energy: 1.1502773424501274
Energy: 1.307220846284003
Energy: 1.2392162275763283
Energy: 1.198908129180763
Energy: 1.2392162275763283
Energy: 1.201400572926972
Energy: 1.238026767861795
Energy: 1.1711812837661741
Energy: 1.2380267678615602
Energy: 1.206673707200062
Energy: 1.1643629189723967
Energy: 1.4975040779800037
Energy: 1.1643629212706221
Energy: 1.1463526618396243
Energy: 1.2705866399874344
Energy: 1.123412582038655
Energy: 1.270586639988042
Energy: 1.3821906947969422
Energy: 1.3611842626009631
Energy: 1.2844657614857227
Energy: 1.3611842626003554
Energy: 1.2391988286266424
Energy: 1.2607589486488913
Energy: 1.2977499532898003
Energy: 1.2607589486488913
Energy: 1.2674722449767675
Energy: 1.1018929802321662
Energy: 1.4998477412492717
Energy: 1.1018929802321662
Energy: 1.566266549430912
Energy: 1.153973438932094
Energy: 1.3136031247301867
Energy: 1.1539734389313758

minimum gb energy = 1.0638350862705777 eV
minimum distance =  2.28496660743745 Angstroms
sigma value = 1


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

Energy: 1.3423592337002495
Energy: 1.2551898794517364
Energy: 1.6695843835822917
Energy: 1.2551898794517364
Energy: 1.2994634973319283
Energy: 1.109821801830471
Energy: 1.277014273776714
Energy: 1.1098218018306334
Energy: 1.1919969901428882
Energy: 1.264487996865268
Energy: 1.4137146719111866
Energy: 1.2644879968651057
Energy: 1.2353733687798778
Energy: 1.2116105326317146
Energy: 1.2956980960575557
Energy: 1.2116105326318771
Energy: 1.098329265706456
Energy: 1.2109813539441945
Energy: 1.09370677677964
Energy: 1.2109813539441945
Energy: 1.1177934406780137
Energy: 1.1125037650523952
Energy: 1.1178349765454212
Energy: 1.1125037650523952
Energy: 1.2631571350205404
Energy: 1.2188754943394535
Energy: 1.310704198419072
Energy: 1.2188754943396254
Energy: 1.337247229099416
Energy: 1.2295843965438056
Energy: 1.3752400809732923
Energy: 1.2295843965439774
Energy: 1.331873877070276
Energy: 1.2277213680408077
Energy: 1.1403658435962902
Energy: 1.2277213680408077
Energy: 1.33187387707061
Energy: 1.211003684786283
Energy: 1.140402071381952
Energy: 1.2110036847861207
Energy: 1.2631193755528025
Energy: 1.2184614450292774
Energy: 1.375240080975985
Energy: 1.2184614450292774
Energy: 1.3376575025119684
Energy: 1.2103193019105853
Energy: 1.3107041984184036
Energy: 1.2103193019105853
Energy: 1.1753282682217356
Energy: 1.103428344910693
Energy: 1.200623689399045
Energy: 1.1034283449110271
Energy: 1.0984406629453207
Energy: 1.2071596203507433
Energy: 1.0937611616622913
Energy: 1.2071596203507433
Energy: 1.1431505333488388
Energy: 1.2710450201543981
Energy: 1.3190316087563831
Energy: 1.2710450201537202
Energy: 1.1919969901433942
Energy: 1.2651805964044593
Energy: 1.4136452449954249
Energy: 1.2651805964044593
Energy: 1.2956745394506324
Energy: 1.2891056545315869
Energy: 1.2810586023730801
Energy: 1.2891056545314248
Energy: 1.3423592337000774
Energy: 1.2551898794517364
Energy: 1.669584383582454
Energy: 1.2551898794515646
Energy: 1.2994634973310883
Energy: 1.109821801830471
Energy: 1.277014273776886
Energy: 1.1098218018302992
Energy: 1.1919969901433942
Energy: 1.2644879968651057
Energy: 1.4137146719111866
Energy: 1.2644879968651057
Energy: 1.2353733687797155
Energy: 1.211610532631037
Energy: 1.2956980960573838
Energy: 1.2116105326317146
Energy: 1.098329265706456
Energy: 1.2109813539441945
Energy: 1.0937067767799742
Energy: 1.2109813539441945
Energy: 1.1177934406780137
Energy: 1.1125037650523952
Energy: 1.1178349765454212
Energy: 1.1125037650523952
Energy: 1.2631571350207027
Energy: 1.2188754943392912
Energy: 1.3107041984202463
Energy: 1.2188754943394535

minimum gb energy = 1.09370677677964 eV
minimum distance =  2.27779101566872 Angstroms
sigma value = 17


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

Energy: 1.482196434297143
Energy: 1.2928805692794105
Energy: 1.6092770006372346
Energy: 1.2928805692794105
Energy: 1.4275447585603485
Energy: 1.2204104944439302
Energy: 1.3039011095150284
Energy: 1.2204104944449687
Energy: 1.098257276101657
Energy: 1.2188349382596861
Energy: 1.2035512641018207
Energy: 1.2188349382596861
Energy: 1.1454392131012896
Energy: 1.1258736093973745
Energy: 1.308121580743757
Energy: 1.1258736093973745
Energy: 1.1529989800631264
Energy: 1.223792060738241
Energy: 1.142137660756587
Energy: 1.223792060738241
Energy: 1.2589682508655655
Energy: 1.1864299081479008
Energy: 1.1614869993160015
Energy: 1.1864299081489393
Energy: 1.1553717280955722
Energy: 1.2386135593526466
Energy: 1.0758585026918424
Energy: 1.2386135593516079
Energy: 1.1554905518294463
Energy: 1.2204862355419468
Energy: 1.1296160788071006
Energy: 1.2204862355409083
Energy: 1.3429842606171065
Energy: 1.1576596012448679
Energy: 1.326844799181302
Energy: 1.1576596012448679
Energy: 1.4055568250512642
Energy: 1.1564977143012087
Energy: 1.3264953750987543
Energy: 1.1564977143012087
Energy: 1.2019017500532825
Energy: 1.159122473270574
Energy: 1.389177185348779
Energy: 1.159122473270574
Energy: 1.2008147700403469
Energy: 1.158293719448271
Energy: 1.2938196142161564
Energy: 1.158293719448271
Energy: 1.2448243136032817
Energy: 1.2193081045556544
Energy: 1.1705499270282695
Energy: 1.2193081045556544
Energy: 1.1050862826599348
Energy: 1.2235301451541094
Energy: 1.1655117454240853
Energy: 1.2235301451541094
Energy: 1.125417185003357
Energy: 1.2308698070586548
Energy: 1.1709383329803735
Energy: 1.2308698070586548
Energy: 1.1237582432920405
Energy: 1.213686117246515
Energy: 1.140190335511891
Energy: 1.2136861172454763
Energy: 1.3030272068116118
Energy: 1.1123653981548232
Energy: 1.1981282258509143
Energy: 1.1123653981548232
Energy: 1.316071315268395
Energy: 1.2260630169053581
Energy: 1.3018893824095261
Energy: 1.2260630169053581
Energy: 1.2884458176372766
Energy: 1.1482569110917171
Energy: 1.3033724820918642
Energy: 1.1482569110917171
Energy: 1.5028664063980048
Energy: 1.1766984387019557
Energy: 1.3127827315790623
Energy: 1.1766984387009167
Energy: 1.2322278925278205
Energy: 1.3699433185152834
Energy: 1.3298027820912834
Energy: 1.3699433185142447
Energy: 1.209517757989487
Energy: 1.2246063235923756
Energy: 1.0972937746522087
Energy: 1.2246063235934144
Energy: 1.2606856650735316
Energy: 1.2959431004608333
Energy: 1.2265780478416315
Energy: 1.2959431004608333
Energy: 1.1235876330527852
Energy: 1.227730965034619
Energy: 1.0917709495822903
Energy: 1.2277309650335806
Energy: 1.1530336590225299
Energy: 1.2379016036690187
Energy: 1.3410219607913392
Energy: 1.2379016036690187
Energy: 1.0986696759236168
Energy: 1.2357656012723242
Energy: 1.165307910595626
Energy: 1.2357656012723242
Energy: 1.3362884725806077
Energy: 1.2466730685860374
Energy: 1.210049389169471
Energy: 1.2466730685860374
Energy: 1.4082454673026472
Energy: 1.1016346178214194
Energy: 1.5257600614126086
Energy: 1.1016346178214194
Energy: 1.3657351507260729
Energy: 1.1022385802936008
Energy: 1.489528906690842
Energy: 1.1022385802946393
Energy: 1.0978880748224602
Energy: 1.2396187644208598
Energy: 1.1651281484166989
Energy: 1.2396187644218986
Energy: 1.0998592134895269
Energy: 1.2377423704377093
Energy: 1.2102845647635474
Energy: 1.2377423704377093
Energy: 1.1418020133522837
Energy: 1.2294157618644284
Energy: 1.1610505187934455
Energy: 1.22941576186339
Energy: 1.1435760585079968
Energy: 1.2139122131610378
Energy: 1.0854362053961808
Energy: 1.2139122131610378
Energy: 1.259460114791399
Energy: 1.2285777426967255
Energy: 1.0972962951189875
Energy: 1.2285777426977642
Energy: 1.1955277989892594
Energy: 1.210232397912488
Energy: 1.1274877961438496
Energy: 1.210232397912488
Energy: 1.3074565964656177
Energy: 1.1018660258642046
Energy: 1.3555888807688874
Energy: 1.101866025865243
Energy: 1.567752678443126
Energy: 1.167845292984237
Energy: 1.3043808040069629
Energy: 1.167845292984237
Energy: 1.2911460970847997
Energy: 1.147993384649441
Energy: 1.3702819223277274
Energy: 1.1479933846504795

minimum gb energy = 1.0758585026918424 eV
minimum distance =  2.28637263362667 Angstroms
sigma value = 89


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

Energy: 1.4311376648843634
Energy: 1.1344207288956407
Energy: 1.3952933745036988
Energy: 1.1344207288956407
Energy: 1.1923988666345147
Energy: 1.292776222972265
Energy: 1.2493085208505625
Energy: 1.292776222972265
Energy: 1.1815719518056653
Energy: 1.2127520468800224
Energy: 1.1111593435054712
Energy: 1.2127520468800224
Energy: 1.1332336685843034
Energy: 1.1790120574985936
Energy: 1.2914671244045453
Energy: 1.1790120574985936
Energy: 1.1709349074848685
Energy: 1.163572439280121
Energy: 1.0558563813691033
Energy: 1.163572439280121
Energy: 1.1240624691546262
Energy: 1.2968053566852225
Energy: 1.1743349727079768
Energy: 1.2968053566854927
Energy: 1.1235832828183359
Energy: 1.1662819313014954
Energy: 1.0558131656363174
Energy: 1.1662819313014954
Energy: 1.124022368407883
Energy: 1.1836084851756277
Energy: 1.4217122974568772
Energy: 1.1836084851756277
Energy: 1.182448567437557
Energy: 1.1641638791059603
Energy: 1.0865459939262778
Energy: 1.164163879106238
Energy: 1.3208254978478045
Energy: 1.163654048058402
Energy: 1.0859689955838447
Energy: 1.163654048058402
Energy: 1.1876862992343318
Energy: 1.2091654209746359
Energy: 1.422846686956516
Energy: 1.2091654209749136
Energy: 1.1875875397677738
Energy: 1.1663619479434812
Energy: 1.4234845687165216
Energy: 1.1663619479434812
Energy: 1.181628586849904
Energy: 1.1639862634366054
Energy: 1.0862149905464242
Energy: 1.1639862634366054
Energy: 1.1816310077448717
Energy: 1.1637345448763687
Energy: 1.086013376760053
Energy: 1.1637345448763687
Energy: 1.1233534905922442
Energy: 1.1636096817734851
Energy: 1.1478560966413554
Energy: 1.1636096817734851

minimum gb energy = 1.0558131656363174 eV
minimum distance =  2.29086502801204 Angstroms
sigma value = 13


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

Energy: 1.2228007786258415
Energy: 1.0922724710089204
Energy: 1.2607532688678214
Energy: 1.0922724710100593
Energy: 1.1390051224955111
Energy: 1.0794324164114866
Energy: 1.13985536906917
Energy: 1.0794324164144504
Energy: 1.0853677892602194
Energy: 1.1128316584820042
Energy: 1.2655540029616332
Energy: 1.1128316584820042
Energy: 1.1183931344050964
Energy: 1.1143386192297433
Energy: 1.1341369959029086
Energy: 1.1143386192297433
Energy: 1.0573115294116204
Energy: 1.0956880637698407
Energy: 1.129973895696271
Energy: 1.0956880637698407
Energy: 1.1689282917006265
Energy: 1.087325281149836
Energy: 1.098216942485215
Energy: 1.0873252811494865
Energy: 1.06262505418384
Energy: 1.0948528674324143
Energy: 1.0843366093365285
Energy: 1.0948528674326345
Energy: 1.0804313387735747
Energy: 1.1123185081552651
Energy: 1.0813729676094856
Energy: 1.1123185081551485
Energy: 1.0221822949213892
Energy: 1.0921457818283926
Energy: 1.0489238708073727
Energy: 1.0921457818282758
Energy: 1.222612215230016
Energy: 1.0893624306498166
Energy: 1.1233373162488707
Energy: 1.0893624306499332
Energy: 1.1524338907613065
Energy: 1.1104706441966357
Energy: 1.083459223729296
Energy: 1.1104706441965189
Energy: 1.0771799332873537
Energy: 1.1106832152451234
Energy: 1.0599984910448927
Energy: 1.1106832152453563
Energy: 1.1254714253475533
Energy: 1.0927025560859596
Energy: 1.1343306509156963
Energy: 1.0927025560858428
Energy: 1.1650886143117785
Energy: 1.0826540123212762
Energy: 1.2130316377252974
Energy: 1.0826540123210435
Energy: 1.152210062729181
Energy: 1.110549037433609
Energy: 1.0814431039710173
Energy: 1.1105490374335056
Energy: 1.0771903340768743
Energy: 1.1140496340857742
Energy: 1.085178175200057
Energy: 1.1140496340857742
Energy: 1.1254491524845147
Energy: 1.088670091555137
Energy: 1.0490069855248347
Energy: 1.0886700915550207
Energy: 1.0724596034281886
Energy: 1.088247340639073
Energy: 1.1235888498867626
Energy: 1.0882473406391895
Energy: 1.0624176557156713
Energy: 1.08917568645094
Energy: 1.0798579209723669
Energy: 1.0891756864513928
Energy: 1.0797198937039958
Energy: 1.0891883228284551
Energy: 1.0624044632085068
Energy: 1.0891883228283388
Energy: 1.123729256016781
Energy: 1.088222115254673
Energy: 1.0708768991977131
Energy: 1.088222115254673
Energy: 1.0493459545003503
Energy: 1.0892428615295597
Energy: 1.1254491524845147
Energy: 1.0892428615294432
Energy: 1.0851781751997205
Energy: 1.1140278221567244
Energy: 1.077172924332376
Energy: 1.1140278221567244
Energy: 1.0814431039709007
Energy: 1.1106692334696004
Energy: 1.1524417325040845
Energy: 1.1106692334697041
Energy: 1.2121653415738978
Energy: 1.0826234523356688
Energy: 1.1650659461056063
Energy: 1.0826234523362384
Energy: 1.1331538629550142
Energy: 1.0923115366516816
Energy: 1.125471425348576
Energy: 1.0923115366516816
Energy: 1.0598760001317482
Energy: 1.1108684213125635
Energy: 1.0769713447610014
Energy: 1.110868421312214
Energy: 1.0834592237291794
Energy: 1.1105642041084436
Energy: 1.15219904732283
Energy: 1.1105642041088966
Energy: 1.123572389185597
Energy: 1.0891366440950812
Energy: 1.2224822392364283
Energy: 1.0891366440945118
Energy: 1.0490257358782318
Energy: 1.09217138546667
Energy: 1.022194691771377
Energy: 1.0921713854665533
Energy: 1.0827954597548601
Energy: 1.1123263859567576
Energy: 1.0805205681428414
Energy: 1.1123263859567576
Energy: 1.084335880852844
Energy: 1.0956835638897164
Energy: 1.0625649701734465
Energy: 1.0956835638894962
Energy: 1.098289220486669
Energy: 1.087254405739672
Energy: 1.1687544183849896
Energy: 1.0872544057397755
Energy: 1.1302208238178804
Energy: 1.0956853917570433
Energy: 1.0573107891533373
Energy: 1.0956853917569267
Energy: 1.1341471929381912
Energy: 1.1091625592748358
Energy: 1.1183897151891549
Energy: 1.109162559272105

minimum gb energy = 1.0221822949213892 eV
minimum distance =  2.29991914199441 Angstroms
sigma value = 37


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

Energy: 1.2334377342611753
Energy: 1.0558438973236155
Energy: 1.2218169172974376
Energy: 1.0558438973234152
Energy: 1.0730354515234442
Energy: 1.0299046517153179
Energy: 1.0658134295831738
Energy: 1.029904651714338
Energy: 1.072483277021789
Energy: 1.0161162632810266
Energy: 1.1411028080591648
Energy: 1.0161162632810266
Energy: 1.1162877607725175
Energy: 1.0749900565762855
Energy: 1.0658867448831855
Energy: 1.0749900565764858
Energy: 1.1557518859509572
Energy: 1.068885529311304
Energy: 1.1080425937387297
Energy: 1.068885529311304
Energy: 1.1363704459365442
Energy: 1.0257857466440583
Energy: 1.0574141367875596
Energy: 1.0257857466438691
Energy: 1.0470388211234687
Energy: 1.0161075093034333
Energy: 1.1653052852259802
Energy: 1.0161075093036227
Energy: 1.0537147505529794
Energy: 1.111037892550539
Energy: 1.0992762282421904
Energy: 1.111037892550539
Energy: 1.0389134098484623
Energy: 1.052029959090328
Energy: 1.0687295159852048
Energy: 1.0520299590905284
Energy: 1.117186306444797
Energy: 1.027424708983027
Energy: 1.0573701683613517
Energy: 1.0274247089828377
Energy: 0.9975856773245929
Energy: 1.0338273257207486
Energy: 1.1107342882883124
Energy: 1.0338273257207486
Energy: 0.9976057053100694
Energy: 1.0274190931034355
Energy: 1.1920700600597847
Energy: 1.027419093103235
Energy: 1.0725893188281892
Energy: 1.0498853782282724
Energy: 1.0732027808915487
Energy: 1.0498853782284727
Energy: 1.029997682558629
Energy: 1.0242723482056835
Energy: 1.0446513321201574
Energy: 1.0242723482056835
Energy: 1.03210538860274
Energy: 1.070082606530579
Energy: 1.108285653600269
Energy: 1.0700826065307794
Energy: 1.149130833364523
Energy: 1.0269617357074532
Energy: 1.1100151435789924
Energy: 1.0269617357072527
Energy: 1.07270505590325
Energy: 1.0501366620778796
Energy: 1.0724872737699314
Energy: 1.0501366620778796
Energy: 1.1081346071283646
Energy: 1.0161215411195181
Energy: 1.0658924914541865
Energy: 1.0161215411197073
Energy: 0.9978029520192851
Energy: 0.993479082532023
Energy: 1.108462983128802
Energy: 0.993479082532023
Energy: 0.9976031520207744
Energy: 1.025676260070301
Energy: 1.1087899461439281
Energy: 1.0256762600705016

minimum gb energy = 0.993479082532023 eV
minimum distance =  2.28901556590895 Angstroms
sigma value = 25


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

Energy: 0.9768432009384693
Energy: 0.9467365148902298
Energy: 1.1222215397984747
Energy: 0.9467365148902298
Energy: 0.9345446072619069
Energy: 1.0003358976918262
Energy: 0.9631465284417782
Energy: 1.000335897691974
Energy: 1.0594098118500084
Energy: 0.9397343190132098
Energy: 1.0253943415133315
Energy: 0.9397343190133576
Energy: 0.9635901706339592
Energy: 0.9230566204338961
Energy: 0.9688053552813893
Energy: 0.9230566204337484
Energy: 0.9635726961380846
Energy: 0.9112139513381197
Energy: 0.9741122966985482
Energy: 0.9112139513378154
Energy: 0.9619273057140032
Energy: 0.930068926862429
Energy: 0.9868226506928796
Energy: 0.9300689268638115
Energy: 0.940637742337534
Energy: 0.9370383084160712
Energy: 0.975151954560135
Energy: 0.9370383084156192
Energy: 0.9578036991018797
Energy: 0.9269387188930093
Energy: 1.0179946108069502
Energy: 0.926938718892853
Energy: 0.9394571339552352
Energy: 0.9119075746942765
Energy: 0.956211081092161
Energy: 0.911907574694581
Energy: 0.9761397768077971
Energy: 0.9474148068468384
Energy: 0.9516403989312276
Energy: 0.9474148068469949
Energy: 0.9581589335715548
Energy: 0.9371578039710395
Energy: 0.9573633751483474
Energy: 0.9371578039710395
Energy: 0.9578506916844192
Energy: 0.9528698934490868
Energy: 0.987045179955975
Energy: 0.9528698934486258
Energy: 0.9476941457618254
Energy: 0.9575451831737158
Energy: 0.9457006576628376
Energy: 0.9575451831737158
Energy: 1.044445356694197
Energy: 0.9094848641720567
Energy: 0.9247566843054394
Energy: 0.9094848641720567
Energy: 0.9171066055020569
Energy: 0.9370150175652412
Energy: 0.9783950244388302
Energy: 0.937015017564937
Energy: 0.9532246820294378
Energy: 0.9413600809804716
Energy: 0.976993254020194
Energy: 0.9413600809803152
Energy: 1.0379958997054133
Energy: 0.9202992898855851
Energy: 0.9438645452017103
Energy: 0.9202992898857416
Energy: 0.9384853573814527
Energy: 0.9246287442715136
Energy: 1.0355494373476848
Energy: 0.9246287442713572
Energy: 0.9549367130155304
Energy: 0.9324519711481598
Energy: 0.974698984692967
Energy: 0.9324519711477078
Energy: 0.9346334262924029
Energy: 0.97758721234863
Energy: 0.9374633839617097
Energy: 0.9775872123489343
Energy: 1.05997778894796
Energy: 0.9200578505718737
Energy: 0.9437988294930617
Energy: 0.9200578505720302
Energy: 0.989401282729598
Energy: 0.9263343104882967
Energy: 1.0356872847470613
Energy: 0.9263343104882967
Energy: 0.9168634528038282
Energy: 0.9182263551428544
Energy: 0.9748714783605592
Energy: 0.9182263551430109
Energy: 0.9638938000352756
Energy: 0.9110514040255873
Energy: 0.9866090005472005
Energy: 0.9110514040257351
Energy: 0.9420198669509925
Energy: 0.9390541760543465
Energy: 0.9454955254272537
Energy: 0.9390541760543465
Energy: 1.0005451945589714
Energy: 0.9075202382679354
Energy: 0.9563287214653657
Energy: 0.9075202382677788

minimum gb energy = 0.9075202382677788 eV
minimum distance =  2.28972691757701 Angstroms
sigma value = 41


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

Energy: 1.007448284448335
Energy: 0.8715625422188029
Energy: 1.0382901722324194
Energy: 0.8715625422191735
Energy: 0.9203416105348707
Energy: 0.924001673348542
Energy: 0.8859128250810121
Energy: 0.9240016733476725
Energy: 0.9461476127149585
Energy: 0.8538977263959389
Energy: 0.9028957868101648
Energy: 0.8538977263955684
Energy: 0.8817857133344024
Energy: 0.8475027648563443
Energy: 0.8860051614596957
Energy: 0.8475027648554605
Energy: 0.9425427005189331
Energy: 0.8482408775827663
Energy: 0.8752385547776816
Energy: 0.8482408775832654
Energy: 0.8807082814022658
Energy: 0.8470270797830151
Energy: 0.8824005493780427
Energy: 0.8470270797820029
Energy: 0.8965645477800134
Energy: 0.811101487611834
Energy: 0.8817846780814957
Energy: 0.8111014876124611
Energy: 0.8965118608777843
Energy: 0.8278318521928897
Energy: 0.8826704864760321
Energy: 0.827831852192633
Energy: 0.9135434012146538
Energy: 0.8118064245594541
Energy: 0.8673961683515714
Energy: 0.8118064245589408
Energy: 0.9296375264999046
Energy: 0.8503581152388114
Energy: 0.8992176579957315
Energy: 0.850358115239068
Energy: 0.8776460762116496
Energy: 0.8475424357415074
Energy: 0.8730009202246757
Energy: 0.8475424357409944
Energy: 0.8761217577602926
Energy: 0.8392057426509271
Energy: 0.8986939759210798
Energy: 0.8392057426500574
Energy: 0.8944098972769171
Energy: 0.8117162778690525
Energy: 0.8597031107217494
Energy: 0.8117162778693091
Energy: 0.8961691724956256
Energy: 0.8567719881542388
Energy: 0.888044230202617
Energy: 0.8567719881537399
Energy: 0.8690044327812481
Energy: 0.8470645480317491
Energy: 0.8751270252155607
Energy: 0.8470645480322481
Energy: 0.8906505542625187
Energy: 0.819777387174073
Energy: 0.960199389700444
Energy: 0.8197773871739447
Energy: 0.9473094525998945
Energy: 0.8253814931313596
Energy: 0.8632031324968616
Energy: 0.8253814931314736
Energy: 0.8814934110578202
Energy: 0.8328912963950462
Energy: 0.9056725735606612
Energy: 0.8328912963942906
Energy: 0.8764712021339057
Energy: 0.8311170163031573
Energy: 0.9030387784524866
Energy: 0.8311170163032855
Energy: 0.9024844294010781
Energy: 0.8400259684646196
Energy: 0.8916040646772803
Energy: 0.8400259684656318
Energy: 0.9458996357842563
Energy: 0.838758217087645
Energy: 0.8834090799773268
Energy: 0.8387582170870177
Energy: 0.8849139537066332
Energy: 0.8896563174162319
Energy: 0.8788685720438567
Energy: 0.8896563174159894
Energy: 0.9483653214833433
Energy: 0.8567109180517152
Energy: 0.8815261575312566
Energy: 0.8567109180517152
Energy: 0.928192129973765
Energy: 0.8913084473204526
Energy: 0.859796371268306
Energy: 0.8913084473206949
Energy: 0.9442586604839498
Energy: 0.8383694860724252
Energy: 0.883331936580973
Energy: 0.8383694860726675
Energy: 0.8814964958076379
Energy: 0.8403888830830808
Energy: 0.8858761882096254
Energy: 0.8403888830885979
Energy: 0.8756707901319152
Energy: 0.8302625141402697
Energy: 0.8807163514062348
Energy: 0.8302625141402697
Energy: 0.9025384295179762
Energy: 0.8349658696269828
Energy: 0.9001597266794714
Energy: 0.8349658696293635
Energy: 0.8928966534422133
Energy: 0.8255088149928338
Energy: 0.8634695145542333
Energy: 0.8255088149924488
Energy: 0.8960650298134069
Energy: 0.8267368815684655
Energy: 0.9064887031610732
Energy: 0.8267368815684655
Energy: 0.8691168196299692
Energy: 0.8500198889569686
Energy: 0.8644063383072292
Energy: 0.8500198889568403
Energy: 0.8917614137938098
Energy: 0.8351551958060965
Energy: 0.9036903600344902
Energy: 0.8351551958059825

minimum gb energy = 0.811101487611834 eV
minimum distance =  2.28761652836369 Angstroms
sigma value = 15


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

Energy: 0.8632332620528473
Energy: 0.7755448596473188
Energy: 0.9371880642255597
Energy: 0.775544859642005
Energy: 0.8546747473872526
Energy: 0.8398414208232882
Energy: 0.8176950800160723
Energy: 0.8398414210134245
Energy: 0.8593134122515201
Energy: 0.7611719063913939
Energy: 0.8613062303059379
Energy: 0.7611719063913939
Energy: 0.812234818764079
Energy: 0.7758839038918749
Energy: 0.8452662192714864
Energy: 0.7758839038918749
Energy: 0.8524186406577924
Energy: 0.7499410926541363
Energy: 0.8002449796696744
Energy: 0.7499410926541363
Energy: 0.8129927048765898
Energy: 0.7778835031430609
Energy: 0.8132642496039937
Energy: 0.7778835008410876
Energy: 0.817564378592936
Energy: 0.7464438081640828
Energy: 0.8294160722693195
Energy: 0.7464438081640828
Energy: 0.8185802786823273
Energy: 0.7780893629052572
Energy: 0.812857904068103
Energy: 0.7780893629052572
Energy: 0.8267760491461362
Energy: 0.7438317865541434
Energy: 0.8010208347444743
Energy: 0.7438317865552061
Energy: 0.8185829222996996
Energy: 0.7539460803953612
Energy: 0.8279184274825596
Energy: 0.7539460803932356
Energy: 0.8083785429816167
Energy: 0.742570516439564
Energy: 0.808649815830592
Energy: 0.742570516439564
Energy: 0.8332474721906071
Energy: 0.7661004429513855
Energy: 0.827977212707471
Energy: 0.7661004429513855
Energy: 0.8163742623079685
Energy: 0.7441390934774544
Energy: 0.797162811626955
Energy: 0.7441390934774544
Energy: 0.8342842123346621
Energy: 0.7601949000565478
Energy: 0.8333478516931236
Energy: 0.7601949000576105
Energy: 0.8026952435160771
Energy: 0.7597363868701557
Energy: 0.8009733012646542
Energy: 0.7597363868701557
Energy: 0.8314350039831337
Energy: 0.7601418711658661
Energy: 0.8273986509868321
Energy: 0.7601418711658661
Energy: 0.8131520075038436
Energy: 0.7439412932263633
Energy: 0.7981861780732388
Energy: 0.7439412932263633
Energy: 0.879181731523847
Energy: 0.7491780356774632
Energy: 0.836545658744442
Energy: 0.7491780356764004
Energy: 0.8144667490136089
Energy: 0.7569292472082064
Energy: 0.8043816516159412
Energy: 0.7569292472082064
Energy: 0.8183189282234196
Energy: 0.7545857555093859
Energy: 0.8163263250551047
Energy: 0.7545857554998211
Energy: 0.8189729563395487
Energy: 0.7614892547951834
Energy: 0.8176887036423
Energy: 0.7614892547951834
Energy: 0.8168220443269096
Energy: 0.7768094186381076
Energy: 0.8427461160023308
Energy: 0.7768094186455227
Energy: 0.8249425457399747
Energy: 0.7637976271030108
Energy: 0.8433454143340506
Energy: 0.7637976271030108
Energy: 0.8116180732361103
Energy: 0.7814789442502931
Energy: 0.8175741002846646
Energy: 0.7814789442524186
Energy: 0.8600981990843057
Energy: 0.7749508141845066
Energy: 0.8368044084967904
Energy: 0.7749508141845066
Energy: 0.8476424233903026
Energy: 0.8189101393594409
Energy: 0.8204190717356126
Energy: 0.8189101393594409
Energy: 0.8867567297393839
Energy: 0.7858243202110644
Energy: 0.8074268121147758
Energy: 0.7858243202110644
Energy: 0.850061455514333
Energy: 0.8242250339605799
Energy: 0.8139143069056001
Energy: 0.8242250339637681
Energy: 0.8622276506770042
Energy: 0.7748040313473866
Energy: 0.836325736148105
Energy: 0.7748040313484496
Energy: 0.8146963618234362
Energy: 0.7758044278873364
Energy: 0.855826945814964
Energy: 0.7758044278958384
Energy: 0.8251330245658798
Energy: 0.764761936223356
Energy: 0.8027184613881532
Energy: 0.7647619362222932
Energy: 0.8114467416593018
Energy: 0.7738360413398415
Energy: 0.8136860092983446
Energy: 0.7738360413398415
Energy: 0.8147046643443484
Energy: 0.7604968408929071
Energy: 0.8178360154087595
Energy: 0.7604968408918444
Energy: 0.8262020366777245
Energy: 0.7618928505549278
Energy: 0.8417831339898646
Energy: 0.7618928505549278
Energy: 0.8134206183526788
Energy: 0.7579331191967971
Energy: 0.8245899470427306
Energy: 0.7579331191967971
Energy: 0.8183801924810452
Energy: 0.7688641302033161
Energy: 0.8273685220360597
Energy: 0.7688641302043788
Energy: 0.8055695417723843
Energy: 0.7434521429558266
Energy: 0.7980472924808428
Energy: 0.7434521429568894

minimum gb energy = 0.742570516439564 eV
minimum distance =  2.29082619240118 Angstroms
sigma value = 85


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

Energy: 0.9479745270909105
Energy: 0.7264840786595423
Energy: 0.8631246299319362
Energy: 0.7264840786594586
Energy: 0.7833916967047917
Energy: 0.7976863328066486
Energy: 0.7834421718535457
Energy: 0.7976863328068265
Energy: 0.7951540246535906
Energy: 0.7238983868347502
Energy: 0.8553598376131868
Energy: 0.7238983868345616
Energy: 0.7426771039652792
Energy: 0.7036356870421229
Energy: 0.7834192763816039
Energy: 0.7036356870403737
Energy: 0.8273158580238789
Energy: 0.6948155357065929
Energy: 0.7428708421230367
Energy: 0.69481553570631
Energy: 0.7426769738363233
Energy: 0.7032051901777491
Energy: 0.7511003674837802
Energy: 0.7032051901776549
Energy: 0.7532875477488071
Energy: 0.6937592299173809
Energy: 0.8157142088233552
Energy: 0.6937592299172867
Energy: 0.7524954642600759
Energy: 0.6886849650748678
Energy: 0.7512182091525079
Energy: 0.6886849650748678
Energy: 0.7883890186121117
Energy: 0.6780828389885927
Energy: 0.7640027028363321
Energy: 0.6780828389889698
Energy: 0.7525484204213069
Energy: 0.7232785250352437
Energy: 0.7618204867683229
Energy: 0.7232785250354323
Energy: 0.7376719555825487
Energy: 0.6780005558810398
Energy: 0.7873396418550613
Energy: 0.6780005558811342
Energy: 0.7732305826097755
Energy: 0.683496118900276
Energy: 0.7615834391985526
Energy: 0.6834961189003598
Energy: 0.7613333657304892
Energy: 0.6795005900565366
Energy: 0.7548810479846012
Energy: 0.6795005900566311
Energy: 0.7755613532747325
Energy: 0.7040756403367888
Energy: 0.7772072134950465
Energy: 0.7040756403368831
Energy: 0.7371621741113185
Energy: 0.6793626495594627
Energy: 0.7749249654166169
Energy: 0.6793626495594627
Energy: 0.7816181862793078
Energy: 0.7026688217440735
Energy: 0.7772193951468561
Energy: 0.7026688217439792
Energy: 0.7490442151424344
Energy: 0.6796286284118441
Energy: 0.7525601705947823
Energy: 0.6796286284118441
Energy: 0.7726394766829203
Energy: 0.702240623289227
Energy: 0.7861320828211473
Energy: 0.7022406232891328
Energy: 0.7458345656204906
Energy: 0.6794137637543031
Energy: 0.7692467092868946
Energy: 0.6794137637544916
Energy: 0.7846696270282806
Energy: 0.6827908584975332
Energy: 0.7662189985876374
Energy: 0.682790858497994
Energy: 0.7485093465330503
Energy: 0.677019027874974
Energy: 0.763689934308637
Energy: 0.6770190278748798
Energy: 0.7547747006702183
Energy: 0.6837404518553153
Energy: 0.7615820504732665
Energy: 0.6837404518555875
Energy: 0.7684154475096028
Energy: 0.6767150425727565
Energy: 0.7718729528113633
Energy: 0.6767150425728506
Energy: 0.760739151202122
Energy: 0.7358866160994184
Energy: 0.7443997724783468
Energy: 0.7358866160984968
Energy: 0.7642812721823301
Energy: 0.6926660200875879
Energy: 0.773836229940444
Energy: 0.6926660200878604
Energy: 0.7428068004958779
Energy: 0.7040018037862563
Energy: 0.7511761151056405
Energy: 0.7040018037835855
Energy: 0.8679614140991176
Energy: 0.6933063793246282
Energy: 0.7668423751461594
Energy: 0.693306379324534
Energy: 0.7617997509747759
Energy: 0.7086518849655922
Energy: 0.7375205176619927
Energy: 0.7086518849650371
Energy: 0.7959239961382235
Energy: 0.7220505168937829
Energy: 0.8254975247030508
Energy: 0.7220505168941495
Energy: 0.7834045863560632
Energy: 0.730418671311309
Energy: 0.7528022814031329
Energy: 0.7304186713104711
Energy: 0.8982318579431467
Energy: 0.7356320574221842
Energy: 0.738045453383623
Energy: 0.7356320574220899
Energy: 0.8010000774678018
Energy: 0.7092268513451845
Energy: 0.7335371116208201
Energy: 0.7092268513452789
Energy: 0.7950032549594371
Energy: 0.7223703730104466
Energy: 0.8258434295182683
Energy: 0.7223703730101745
Energy: 0.742682840611758
Energy: 0.6931705315223072
Energy: 0.7834964081567162
Energy: 0.6931705315206522
Energy: 0.8680030679602613
Energy: 0.6934649810651602
Energy: 0.7346389090161993
Energy: 0.693464981065244
Energy: 0.7612744200127282
Energy: 0.6914512580388767
Energy: 0.7444648670081878
Energy: 0.6914512580388767
Energy: 0.7520752018263341
Energy: 0.695540374639752
Energy: 0.7738072751140737
Energy: 0.6955403746396577
Energy: 0.752672952287691
Energy: 0.6886487199786652
Energy: 0.7512194134342366
Energy: 0.6886487199787594
Energy: 0.7683047260967336
Energy: 0.6803563920762827
Energy: 0.764453097272133
Energy: 0.6803563920761885
Energy: 0.7607371268057103
Energy: 0.6877076426417593
Energy: 0.7660226516537064
Energy: 0.6877076426413927
Energy: 0.7381332754366376
Energy: 0.6798935798449016
Energy: 0.7638229709738549
Energy: 0.6798935798448179
Energy: 0.7729705671049351
Energy: 0.6974365693188577
Energy: 0.7622767226933872
Energy: 0.6974365693191301
Energy: 0.745843698818003
Energy: 0.6767948329187707
Energy: 0.7548088395453155
Energy: 0.6767948329185821

minimum gb energy = 0.6767150425727565 eV
minimum distance =  2.29535260700777 Angstroms
sigma value = 113


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

Energy: 0.005389956959268278
Energy: 0.005541614021739722
Energy: 1.3559175586826786
Energy: 0.005541614021670833
Energy: 0.005564880683565605
Energy: 0.8181953485844935
Energy: 0.005564880683427825
Energy: 0.8181953485851133
Energy: 1.129227604316007
Energy: 0.005541614021670833
Energy: 0.005389956959268278
Energy: 0.005541614021739722
Energy: 0.005564880683496715
Energy: 0.8181953485847689
Energy: 0.005564880683496715
Energy: 0.8181953485845623
Energy: 0.005389956959268278
Energy: 0.005541614021739722
Energy: 1.3559175586821963
Energy: 0.005541614021670833
Energy: 0.005564880683565605
Energy: 0.8181953485846313
Energy: 0.005564880683565605
Energy: 0.8181953485844935

minimum gb energy = 0.005389956959268278 eV
minimum distance =  2.43911165624747 Angstroms
sigma value = 1