Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.935544818639755
cohesive_energy=2.035270138495227
mass=207.2
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.448198736139199e-20, 1.097329174449966e-19, 1.3821032537303938e-19, 1.62391817092338e-19, 1.8343800935656199e-19, 2.0198640824837997e-19, 2.18471203635606e-19, 2.3318879819553e-19, 2.4635869012701e-19, 2.58163527566322e-19, 2.6873148464418595e-19, 2.78166702841812e-19, 2.8655890405070396e-19, 2.9398979927919597e-19, 3.00521873416014e-19, 3.0620639611344596e-19, 3.1109463702378e-19, 3.1522665056286595e-19, 3.18647297676456e-19, 3.21383815367328e-19, 3.23468247168162e-19, 3.2492622790510204e-19, 3.25781790227658e-19, 3.26060568961974e-19, 3.2575455322487996e-19, 3.2475639718189796e-19, 3.2293312017240597e-19, 3.2011969800310195e-19, 3.1612226730127197e-19, 3.1071972769142397e-19, 3.0360766561309797e-19, 2.94428795676912e-19, 2.8274091713188196e-19, 2.68000892099082e-19, 2.49521386802526e-19, 2.26437225859854e-19, 1.9766373568984797e-19, 1.6177497908824797e-19, 1.169345411971632e-19, 6.072521812887779e-20, -1.006372004761152e-20, -9.97744283587062e-20, -2.1438084668900398e-19, -3.6223291082779195e-19, -5.552727647519159e-19, -8.11026618660702e-19, -1.155887128246032e-18, -1.63106387871102e-18, -2.30341730316912e-18, -3.2870095605480596e-18, -4.78864961076456e-18, -7.21394449048206e-18, -1.1445869764464298e-17, -1.97110984751118e-17]
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: 0.005157214050048294
Energy: 0.005379545717051807
Energy: 0.19915603409443877
Energy: 0.5068569876130259
Energy: 0.5048515978935103
Energy: 0.17464640515859053
Energy: 0.005298617879434199
Energy: 0.005342231422149173
Energy: 0.39060048444640233
Energy: 0.04379156324500706
Energy: 0.19901777102883778
Energy: 0.3868668077775785
Energy: 0.005578439124481809
Energy: 0.04458767042674136
Energy: 0.005362027775167041
Energy: 0.39969780688181694
Energy: 0.11310902805737089
Energy: 0.11260050306775443
Energy: 0.38687432298684105
Energy: 0.04367356766092314
Energy: 0.04446802784614221
Energy: 0.00627313277668116
Energy: 0.38712771610792424
Energy: 0.1995049577465398
Energy: 0.5065898667624537
Energy: 0.38927427214786087
Energy: 0.043921461708869854
Energy: 0.005651811660883069
Energy: 0.04391228401765708
Energy: 0.3898373450449373
Energy: 0.04371130959101997
Energy: 0.1988407876440425
Energy: 0.38722237831939305
Energy: 0.005527472890591527
Energy: 0.044687197310483165
Energy: 0.005276686736899803
Energy: 0.3865334654836132
Energy: 0.11276794955739174
Energy: 0.1129782452398196
Energy: 0.3864955670163074
Energy: 0.04363301361864137
Energy: 0.044436545346611116

minimum gb energy = 0.005157214050048294 eV
minimum distance =  3.45698135286649 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.6063448698664434
Energy: 0.5906361899303877
Energy: 0.7044471422844928
Energy: 0.6314841404315554
Energy: 0.6615134237789082
Energy: 0.6410990179589814
Energy: 0.5906486114027356
Energy: 0.5893999113988514
Energy: 0.6262298343996602
Energy: 0.6069183681024246
Energy: 0.6585968819189391
Energy: 0.6459844458542561
Energy: 0.6008154196774897
Energy: 0.6177142534867354
Energy: 0.5954748106845918
Energy: 0.6343325284521282
Energy: 0.6498185613286336
Energy: 0.6309691437547296
Energy: 0.6353271823698605
Energy: 0.626702807107666
Energy: 0.638277709845982
Energy: 0.6045761820416341
Energy: 0.6567841350029484
Energy: 0.6003134568880908
Energy: 0.6290886189819863
Energy: 0.6104279605645412
Energy: 0.6025475438055066
Energy: 0.6181791607178184
Energy: 0.6596966729453022
Energy: 0.6028717518999375
Energy: 0.6483055646204421
Energy: 0.6135542977545119
Energy: 0.641866530168136
Energy: 0.6790267275728749
Energy: 0.6142885151739069
Energy: 0.6229562800767021
Energy: 0.6161275880292605
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Energy: 0.6280140898591564
Energy: 0.6222485765669283
Energy: 0.6466930153126206
Energy: 0.5932475698615712
Energy: 0.5927879683612621
Energy: 0.6481425495036006
Energy: 0.6074872267372916
Energy: 0.5917263567771356
Energy: 0.6392532680428812
Energy: 0.6079996217607686
Energy: 0.627973768293665
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Energy: 0.6242965973891726
Energy: 0.6087631081756082
Energy: 0.6392904264702498
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Energy: 0.6741340403605486
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Energy: 0.6113243045369031
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Energy: 0.6007807482083745
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Energy: 0.6550177760737855
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Energy: 0.6330956280820206
Energy: 0.6151345045028425
Energy: 0.6053971591996987
Energy: 0.6260124491225714
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Energy: 0.5955505228909398
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Energy: 0.6182860835169611
Energy: 0.6600806351460665
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Energy: 0.6129669449004904
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Energy: 0.637806713814573
Energy: 0.6316494556758859
Energy: 0.6334468964945923
Energy: 0.6591806167201224
Energy: 0.6353777684422478
Energy: 0.6044907908626537
Energy: 0.6391148529252423
Energy: 0.6005279793129823
Energy: 0.6391360794761732
Energy: 0.607565230574003
Energy: 0.6029657467014704
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Energy: 0.6233221810987444
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Energy: 0.6486596640463452
Energy: 0.6283291522981382
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Energy: 0.6325143797218238
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Energy: 0.5964462761623806
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Energy: 0.6589421112057283
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Energy: 0.6321878823237835
Energy: 0.5965708475750959
Energy: 0.6309155596841423
Energy: 0.6413795665609188
Energy: 0.632299515370816
Energy: 0.620168538477824
Energy: 0.6001132771207606
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Energy: 0.6024135624447525
Energy: 0.6442915903655123
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Energy: 0.6347236116460648
Energy: 0.6125862105721477
Energy: 0.6332183025155422
Energy: 0.5950116435933964
Energy: 0.61572099674796
Energy: 0.5907533305066722
Energy: 0.6286978434504629
Energy: 0.633138495275756
Energy: 0.6015689506959556
Energy: 0.6089033132133395
Energy: 0.6287803752203271
Energy: 0.600227363475098
Energy: 0.6467738968498129
Energy: 0.6545243484610134
Energy: 0.6404889837896216
Energy: 0.6267629461355828
Energy: 0.6138524967195852
Energy: 0.6047374035761778
Energy: 0.6369381856750829
Energy: 0.5888476894302179
Energy: 0.6453781072193703
Energy: 0.6450307946748122
Energy: 0.5967963725172111
Energy: 0.6443368600651508
Energy: 0.6523942994722909
Energy: 0.6063262883044194
Energy: 0.6280364096526658
Energy: 0.6523102865818547
Energy: 0.6374876988516806
Energy: 0.6335678022174583
Energy: 0.6357573427068489
Energy: 0.6111459050262392
Energy: 0.589502910231694
Energy: 0.6018194235560479
Energy: 0.6421608246230381
Energy: 0.6164061370264807
Energy: 0.5898516541255999
Energy: 0.6178749267885486
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Energy: 0.6198141377020141
Energy: 0.6635419359876249
Energy: 0.6263828468007264
Energy: 0.6608417792460499
Energy: 0.6419632894947079
Energy: 0.6157834499892573

minimum gb energy = 0.5882272554652577 eV
minimum distance =  3.11757798153245 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.6198218688800753
Energy: 0.6030008850827504
Energy: 0.6782701565229522
Energy: 0.6303467396761722
Energy: 0.8278210137662118
Energy: 0.6115511605153141
Energy: 0.6009662856042328
Energy: 0.5993007726599338
Energy: 0.5994438264636074
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Energy: 0.6437247592734732
Energy: 0.6228277393324045
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Energy: 0.6121999722772394
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Energy: 0.6002930863666495
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Energy: 0.6280630017506798
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Energy: 0.6223865176365484
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Energy: 0.6000938070081032
Energy: 0.5929504997361376
Energy: 0.6108579249567969
Energy: 0.6736158484246072
Energy: 0.6437891109382299
Energy: 0.6013234434141767
Energy: 0.6000131390040702
Energy: 0.5993566444623258
Energy: 0.5877845268262588
Energy: 0.6104867421058944
Energy: 0.6239085173777734
Energy: 0.6123312925035382
Energy: 0.625513023432327
Energy: 0.5999013921011266
Energy: 0.5994634505598609
Energy: 0.6318845504345967
Energy: 0.7003844105503314
Energy: 0.6267070841438712
Energy: 0.5995825640343188
Energy: 0.6143723764675014
Energy: 0.6291657358375319
Energy: 0.6020290064223033
Energy: 0.6007045916507123
Energy: 0.6260649435818757
Energy: 0.6010366567163278
Energy: 0.600646850009604
Energy: 0.6138163343247387
Energy: 0.6458687817672236
Energy: 0.6341004132330283
Energy: 0.6840594566350116
Energy: 0.5998557932596488
Energy: 0.599009367939609
Energy: 0.5995766872903209
Energy: 0.6021523124398592
Energy: 0.6942114744470756
Energy: 0.5990320387843812
Energy: 0.6102387050388585
Energy: 0.5895781770978665
Energy: 0.5990461096264545
Energy: 0.5996672342035102
Energy: 0.6162296168160609
Energy: 0.6980475903119987
Energy: 0.6314748983151526
Energy: 0.6239758216978898
Energy: 0.5937571691972017
Energy: 0.5994617636999208
Energy: 0.5988118972945503
Energy: 0.6206036066813497
Energy: 0.6442283268740358
Energy: 0.5904487967747301
Energy: 0.6494629075570943
Energy: 0.6444811280667302
Energy: 0.6028945633421349
Energy: 0.6131499562813367
Energy: 0.6208405504150868
Energy: 0.6001197858572777
Energy: 0.6426131011492006
Energy: 0.6006301309365449
Energy: 0.6008571696424765
Energy: 0.6248662230868368
Energy: 0.6108323460062278
Energy: 0.6255507652406676
Energy: 0.5999476017475709
Energy: 0.6007277499820802
Energy: 0.6001959109168071
Energy: 0.6032677701019481
Energy: 0.6151003396564383
Energy: 0.6769570926013133
Energy: 0.600892503595409
Energy: 0.6006060183935066
Energy: 0.6003783849968667
Energy: 0.5886456351262879
Energy: 0.5876438631609078
Energy: 0.6210098450376125
Energy: 0.6126779125771088
Energy: 0.6228698186047468
Energy: 0.6003632994769776
Energy: 0.6022175103571651
Energy: 0.5928496766971543
Energy: 0.6109795123255951
Energy: 0.6223138794489488
Energy: 0.6122879015201608
Energy: 0.6254145922852815
Energy: 0.6000806159172744
Energy: 0.6025090757409047
Energy: 0.6323475077117207
Energy: 0.6328176715767193
Energy: 0.6265834904274306
Energy: 0.6000229026716438
Energy: 0.6268324839685891
Energy: 0.6266073113360664
Energy: 0.5980263717248956
Energy: 0.6116163779249957
Energy: 0.6529697814016114
Energy: 0.5994529185934252
Energy: 0.6009245478579641
Energy: 0.6144078002235828
Energy: 0.644466120858746
Energy: 0.6332940470249298
Energy: 0.6396739595799337
Energy: 0.5880187601263517
Energy: 0.6003408980952956
Energy: 0.6008305359447308
Energy: 0.5985431412115843
Energy: 0.6152734751422484
Energy: 0.6230770979099092
Energy: 0.6252244900341178
Energy: 0.5897503229272009
Energy: 0.6061520873611054

minimum gb energy = 0.5815768175606865 eV
minimum distance =  3.13155458430104 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.6234465553082801
Energy: 0.6475746518632225
Energy: 0.6536027304251015
Energy: 0.6214541471765574
Energy: 0.6467377205484215
Energy: 0.6166184100502132
Energy: 0.6404847985142549
Energy: 0.6224359486383422
Energy: 0.6193277599661912
Energy: 0.6197353655670247
Energy: 0.6432448225069417
Energy: 0.6223638168915645
Energy: 0.6204850542047737
Energy: 0.6404912784232745
Energy: 0.6163918315847029
Energy: 0.6292534723811053
Energy: 0.6244512728770567
Energy: 0.6271278326787664
Energy: 0.6284220519625052
Energy: 0.6156659630004607
Energy: 0.6225265109549093
Energy: 0.6299933802484007
Energy: 0.6317787563385753
Energy: 0.6147510096788997
Energy: 0.6759317916446714
Energy: 0.6641976926538993
Energy: 0.621637469037589
Energy: 0.6462351522704649
Energy: 0.6345500876868545
Energy: 0.6386230853526482
Energy: 0.6225504322988062
Energy: 0.6409722149657205
Energy: 0.6166737260290066
Energy: 0.6143450496688678
Energy: 0.6467394075898227
Energy: 0.6303796662788006
Energy: 0.6313655888308111
Energy: 0.6226699054087708
Energy: 0.6332878589518711
Energy: 0.6460308677424371
Energy: 0.624570801384023
Energy: 0.6273086555991664
Energy: 0.6284404441927013
Energy: 0.6536124937200453
Energy: 0.6151949795125068
Energy: 0.6639029929558347
Energy: 0.6483667813023977
Energy: 0.6222360056607952
Energy: 0.6377446925686246
Energy: 0.619920888408742
Energy: 0.6249875626620011
Energy: 0.6264389391499844
Energy: 0.6316292739678603
Energy: 0.6518094242450179
Energy: 0.640606850963627
Energy: 0.6476254197988672
Energy: 0.6246814438976681
Energy: 0.6510758982547941
Energy: 0.6285531560252792
Energy: 0.626420334954734
Energy: 0.6205884774570527
Energy: 0.6112444427166048
Energy: 0.6289759730368618
Energy: 0.6448659011964558
Energy: 0.6539316014034809
Energy: 0.623270323133138
Energy: 0.6160766172563897
Energy: 0.6510383371503998
Energy: 0.6363783512938812
Energy: 0.6360308850650629
Energy: 0.6227948194874391
Energy: 0.6280021672897202
Energy: 0.628420818881355
Energy: 0.614582141255519
Energy: 0.6556575175831646
Energy: 0.6347416796328342
Energy: 0.633631649439626
Energy: 0.6237020379869345
Energy: 0.6490342532143569
Energy: 0.6311168259159847
Energy: 0.6059132137233527
Energy: 0.6223014214680959
Energy: 0.6240521696360046
Energy: 0.6269022137353459
Energy: 0.6197820509972948
Energy: 0.6492650900363303
Energy: 0.6210945322175094
Energy: 0.62928393937525
Energy: 0.6242520840134533
Energy: 0.6358660369635416
Energy: 0.6583910262680428
Energy: 0.6231971386045322
Energy: 0.648267419253071
Energy: 0.6417867301263098
Energy: 0.6236682593607566
Energy: 0.6911079674179911
Energy: 0.6447994409540455
Energy: 0.6610362066509128
Energy: 0.6472109819547627
Energy: 0.6268936927761154
Energy: 0.612768807715129
Energy: 0.6258258221312675
Energy: 0.6500179449538315
Energy: 0.607254430674646
Energy: 0.6769262219282325
Energy: 0.6233999572779768
Energy: 0.6271077227894827
Energy: 0.6301053468237916
Energy: 0.6259213916685286
Energy: 0.624126365789704
Energy: 0.6198126182681372
Energy: 0.6209908391581969
Energy: 0.6233338795973137
Energy: 0.6204039872399827
Energy: 0.6401452085627455
Energy: 0.6536727398515034
Energy: 0.623968924289724
Energy: 0.6411597906913787
Energy: 0.636841202212321
Energy: 0.6040812171417095
Energy: 0.6284037426192448
Energy: 0.6271773398342808
Energy: 0.6154341497185628
Energy: 0.61500293631885
Energy: 0.6102156782947586
Energy: 0.6399686549020908
Energy: 0.6230703441061579
Energy: 0.6601682744972307
Energy: 0.6531249090655683
Energy: 0.6347430201461326
Energy: 0.6404399891123157
Energy: 0.616263670651318
Energy: 0.6548285786310156
Energy: 0.641425846418618
Energy: 0.6642266864812967
Energy: 0.6431944531637674
Energy: 0.6888635353596156
Energy: 0.6807724011331536
Energy: 0.6471116058043143
Energy: 0.6759885948359898
Energy: 0.6162105865647916
Energy: 0.6254241463533053
Energy: 0.6444105663419147
Energy: 0.6462728750860138
Energy: 0.620499938755846
Energy: 0.6591036811205299
Energy: 0.6360420551124096
Energy: 0.6337349453126973
Energy: 0.6295018349036198
Energy: 0.6152274606520483
Energy: 0.6338201302385243
Energy: 0.6381365821048511
Energy: 0.6020725253114751
Energy: 0.6356691696264803
Energy: 0.6435827779404039
Energy: 0.6367810287000126
Energy: 0.6229584909740526
Energy: 0.6212131010295607
Energy: 0.6349841254603805
Energy: 0.6349556276841111
Energy: 0.6182147689995116
Energy: 0.6305296413077879
Energy: 0.6295409241496724
Energy: 0.6273166665777894
Energy: 0.6295824698267127
Energy: 0.6130293730278815
Energy: 0.6139623319370986
Energy: 0.6259319751527873
Energy: 0.654268003088271
Energy: 0.6350551449250597
Energy: 0.6196335520558045
Energy: 0.6789569742265535
Energy: 0.6303015181918848
Energy: 0.6221369437881351
Energy: 0.6520640791860766
Energy: 0.6300879802619351
Energy: 0.624304183562096
Energy: 0.6315605610420109
Energy: 0.6667006946333294
Energy: 0.6872533067731262
Energy: 0.6225532091561155
Energy: 0.6579614092353384
Energy: 0.6308915088011475
Energy: 0.6480762007659444
Energy: 0.650386211542324
Energy: 0.6264489023872675
Energy: 0.6337713611965365
Energy: 0.6280767426839613
Energy: 0.6386924362987292
Energy: 0.62370001690795
Energy: 0.654467727853275
Energy: 0.6364395170075575
Energy: 0.6070574989021539
Energy: 0.6302159315527269
Energy: 0.6283855616003426
Energy: 0.615235542240611
Energy: 0.6218298626153944
Energy: 0.6453914636681308
Energy: 0.6327358303489907
Energy: 0.6247996177612183
Energy: 0.6409873270132569
Energy: 0.6585212993025861
Energy: 0.6334905196722975
Energy: 0.6440878362392077
Energy: 0.6594685632602709
Energy: 0.6277307792600136
Energy: 0.6140857516533541
Energy: 0.6264457806277964
Energy: 0.6459732046755673
Energy: 0.6360623681346174
Energy: 0.6197751401656768
Energy: 0.6539667266817925
Energy: 0.6186723239437465
Energy: 0.6348652416929083
Energy: 0.6250407266841919
Energy: 0.627395703952548
Energy: 0.651110643925113
Energy: 0.6317892743344302
Energy: 0.6422843180242739
Energy: 0.6166806011454813
Energy: 0.6052556755190113
Energy: 0.6454053090391926
Energy: 0.630330765354927
Energy: 0.6601419009184696
Energy: 0.6298462820355059
Energy: 0.646930228169424
Energy: 0.6275282816902691
Energy: 0.6312441597436241
Energy: 0.6247743837653478
Energy: 0.6314745576028448
Energy: 0.6613764358209514
Energy: 0.639689683487255
Energy: 0.6226017121115283
Energy: 0.6415880398492133
Energy: 0.6155973573165034
Energy: 0.6220555727623973
Energy: 0.6237751067296246
Energy: 0.6447410599762406
Energy: 0.6431208643135993
Energy: 0.6303770928428352
Energy: 0.6341278974409497
Energy: 0.6383352590421438
Energy: 0.6229574395411157
Energy: 0.6445258169043339
Energy: 0.6448214412727175
Energy: 0.6234968493847819
Energy: 0.6502046135348816
Energy: 0.6297983855687327
Energy: 0.6628449176057474
Energy: 0.6468441449198472
Energy: 0.6141557516543721
Energy: 0.6556757825559751

minimum gb energy = 0.6020725253114751 eV
minimum distance =  3.0988241119483 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.5896974535164186
Energy: 0.5811742671473834
Energy: 0.8268014265653616
Energy: 0.7215143921601732
Energy: 0.6208358198009518
Energy: 0.6561702625842274
Energy: 0.5812977372012786
Energy: 0.5807053613910086
Energy: 0.6329441198270402
Energy: 0.6561522917259912
Energy: 0.6216709553201888
Energy: 0.6221304251297475
Energy: 0.6186610673527573
Energy: 0.6235004978837493
Energy: 0.6184020939056925
Energy: 0.5771571138891547
Energy: 0.5994037550872777
Energy: 0.6642292164099831
Energy: 0.6275756954051639
Energy: 0.6178742470929209
Energy: 0.617762222590166
Energy: 0.6196705591879134
Energy: 0.5763189559764834
Energy: 0.6570749164631815
Energy: 0.6162655216100121
Energy: 0.656098520223704
Energy: 0.6563613078882258
Energy: 0.6467012873960648
Energy: 0.6340586948099297
Energy: 0.622017737239848
Energy: 0.6644738319180575
Energy: 0.6003222698745765
Energy: 0.598905043237741
Energy: 0.6070423532965188
Energy: 0.6180607583033753
Energy: 0.5807214207236191
Energy: 0.6218827192502743
Energy: 0.5998745296736143
Energy: 0.6053860355226723
Energy: 0.6333908211669729
Energy: 0.6176024557336424
Energy: 0.6343234285891111
Energy: 0.619425581839652
Energy: 0.616092322662083
Energy: 0.5994721797038021
Energy: 0.6587685168163924
Energy: 0.581200709237876
Energy: 0.581414407090791
Energy: 0.6231078120724469
Energy: 0.5809946205167663
Energy: 0.6331252065054094
Energy: 0.6367557552440939
Energy: 0.605904951394695
Energy: 0.6621442729153234
Energy: 0.5991427657296777
Energy: 0.6197463561960471
Energy: 0.5808817174435352
Energy: 0.6329590909935309
Energy: 0.6366375777480137
Energy: 0.60553558162296
Energy: 0.6215158793583563
Energy: 0.5994499333652892
Energy: 0.6337564105252692
Energy: 0.6193488683927072
Energy: 0.6149161460520348
Energy: 0.6015942579614812
Energy: 0.6521042753143965
Energy: 0.6276267646589566
Energy: 0.6176827578220327
Energy: 0.6178280794496197
Energy: 0.6187860557892239
Energy: 0.6067815533650383
Energy: 0.6039229456656486
Energy: 0.6058473826504044
Energy: 0.6329198638961677
Energy: 0.620181781021176
Energy: 0.6202570390007082
Energy: 0.6336346659611297
Energy: 0.621728582219898
Energy: 0.6059916000703645
Energy: 0.6068852583143075
Energy: 0.6218823363555372
Energy: 0.5995101310068189
Energy: 0.6201459576695979
Energy: 0.5813083643856151
Energy: 0.6222700712654727
Energy: 0.6615545337859539
Energy: 0.601332447749622
Energy: 0.6638682916651721
Energy: 0.6566635509287592
Energy: 0.6178811262916543
Energy: 0.618795190406306
Energy: 0.5772808016892368
Energy: 0.5994727244824414
Energy: 0.6746219391115462
Energy: 0.5811469411445758
Energy: 0.5813789547230099
Energy: 0.6229502794363984
Energy: 0.5806895790276283
Energy: 0.6155878317860143
Energy: 0.5992022363401824
Energy: 0.6582269100559224
Energy: 0.5811748087177143
Energy: 0.58108719778245
Energy: 0.6233613743184507
Energy: 0.5813041123788659
Energy: 0.6559192846716635
Energy: 0.6613767603033796
Energy: 0.6000685549044912
Energy: 0.6258174763439733
Energy: 0.6562952044177558
Energy: 0.5811513236392948
Energy: 0.6204260665330701
Energy: 0.6328536538362309
Energy: 0.6563411687196342
Energy: 0.6218045423538501
Energy: 0.6221616710539913
Energy: 0.6185176407997861
Energy: 0.6233191862395623
Energy: 0.6202230229905714
Energy: 0.5766699503457321
Energy: 0.5994585173547106
Energy: 0.664277809043813
Energy: 0.6277007288560882
Energy: 0.6180033547403678
Energy: 0.6177260683363827
Energy: 0.619774416667162
Energy: 0.5769721061092763
Energy: 0.6569520585592276
Energy: 0.6027955462994008
Energy: 0.6560104705854846
Energy: 0.6559920275214487
Energy: 0.6886254232423009
Energy: 0.6340057341044095
Energy: 0.6216723321082144
Energy: 0.664511854183039
Energy: 0.6005340156922525
Energy: 0.6265603673338881
Energy: 0.5995394307945852
Energy: 0.6181980094490647
Energy: 0.5807051096223564
Energy: 0.6219242218155396
Energy: 0.5995679440164599
Energy: 0.6054228925139318
Energy: 0.6326132676552889
Energy: 0.5811150982467169
Energy: 0.6342843983026518
Energy: 0.6194612941540079
Energy: 0.6166553145341946
Energy: 0.599386252698028
Energy: 0.6776653142286997
Energy: 0.5811965024609514
Energy: 0.5814217856523484
Energy: 0.6231171275154964
Energy: 0.5810224408232033
Energy: 0.632845734787728
Energy: 0.6367095668976638
Energy: 0.6060238131274299
Energy: 0.6625596947304876
Energy: 0.6001385751725926
Energy: 0.6199867474412606
Energy: 0.5808241719408607
Energy: 0.63288614812631
Energy: 0.6365906627371866
Energy: 0.605590929651076
Energy: 0.6216132379948677
Energy: 0.5995022647086915
Energy: 0.6341659948915884
Energy: 0.619325357152603
Energy: 0.6160389254584535
Energy: 0.600507704589309
Energy: 0.6521650182123152
Energy: 0.6276105247873378
Energy: 0.6177289223169072
Energy: 0.617874067648213
Energy: 0.6189855598895762
Energy: 0.6067951006739728
Energy: 0.6028419997602067
Energy: 0.6058352759806658
Energy: 0.632854477344922
Energy: 0.5994911045701216
Energy: 0.6444735563326729
Energy: 0.6333780612599659
Energy: 0.6219687851612139
Energy: 0.6607829853363213
Energy: 0.6069969083791191
Energy: 0.6216413241621016
Energy: 0.6061894926295868
Energy: 0.6201727680846333
Energy: 0.5812762791905056
Energy: 0.6221952443965326
Energy: 0.66147519923405
Energy: 0.6014135417267166
Energy: 0.6638270257155854
Energy: 0.6010496335942697
Energy: 0.6177435444667756
Energy: 0.6189014741659972
Energy: 0.5774023216858927
Energy: 0.5994428497940143
Energy: 0.6745216984824468
Energy: 0.5812850237280064
Energy: 0.581476689001871
Energy: 0.62317954048543
Energy: 0.5807225852762689
Energy: 0.6157641057983493
Energy: 0.5991265344794986
Energy: 0.6053904775987093
Energy: 0.5812027179503327
Energy: 0.5811045560913952
Energy: 0.6235198405730539

minimum gb energy = 0.5763189559764834 eV
minimum distance =  3.1873652561497 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.7452980422732559
Energy: 0.7043617234392421
Energy: 0.602015271880813
Energy: 0.6113231779949493
Energy: 0.6037033629471668
Energy: 0.6041437807165454
Energy: 0.70439217656505
Energy: 0.6277956918314115
Energy: 0.6322803412971622
Energy: 0.6682299186844141
Energy: 0.5849431892300915
Energy: 0.5642502142016923
Energy: 0.6617348877316577
Energy: 0.606754948254049
Energy: 0.6037670325087547
Energy: 0.612346688824375
Energy: 0.6310640591565789
Energy: 0.62760426476413
Energy: 0.6730963011842229
Energy: 0.6581800226732558
Energy: 0.6120922074922099
Energy: 0.7372311658647753
Energy: 0.5689234289488723
Energy: 0.6078677892337121
Energy: 0.6229560452019407
Energy: 0.6199239789776515
Energy: 0.6093035415017093
Energy: 0.5991606814548242
Energy: 0.5948213389626011
Energy: 0.5646037996819682
Energy: 0.6226090385723796
Energy: 0.5845151264729297
Energy: 0.5838553311589184
Energy: 0.6106252543253399
Energy: 0.6037333792147258
Energy: 0.5799549387105859
Energy: 0.5694444077150835
Energy: 0.6391027297455161
Energy: 0.5831756520673034
Energy: 0.5583364468554968
Energy: 0.6032713815126579
Energy: 0.6025340746776788
Energy: 0.6868923050619588
Energy: 0.582723197424756
Energy: 0.6040814346872829
Energy: 0.6060958174927188
Energy: 0.5802930805438753
Energy: 0.5803162971351189
Energy: 0.6025855624996375
Energy: 0.6036990081615267
Energy: 0.5842485263809084
Energy: 0.6300307749092948
Energy: 0.6228309009957267
Energy: 0.597601944321982
Energy: 0.5949647530568609
Energy: 0.605121355207412
Energy: 0.6089281985299652
Energy: 0.5838114137635012
Energy: 0.6335548674563621
Energy: 0.6311181971595877
Energy: 0.6080258094305968
Energy: 0.6041967411982563
Energy: 0.603396714519248
Energy: 0.6646121180006394
Energy: 0.6378713692643818
Energy: 0.5768434688111551
Energy: 0.614645234246531
Energy: 0.6040285175577004
Energy: 0.6036368359681851
Energy: 0.6622324801496143
Energy: 0.6567628610827
Energy: 0.6199615655322193
Energy: 0.6195523215325365
Energy: 0.6490679426401554
Energy: 0.5801496034492176
Energy: 0.5800331033969632
Energy: 0.6069793045021307
Energy: 0.60401657523149
Energy: 0.6376424561894236
Energy: 0.617694359770668
Energy: 0.6168717890849635
Energy: 0.7036571050065449
Energy: 0.7036230935148571
Energy: 0.688403967122677
Energy: 0.7035466800355755
Energy: 0.6049963036970395
Energy: 0.5770835069969465
Energy: 0.6176966565001255
Energy: 0.5846984432758712
Energy: 0.6039076549134019
Energy: 0.6464552189915905
Energy: 0.7042918693222335
Energy: 0.6115939699481054
Energy: 0.6608741045949516
Energy: 0.6264667634130374
Energy: 0.6321188459587525
Energy: 0.6082756670348941
Energy: 0.6114427799123707
Energy: 0.6039573610166147
Energy: 0.6230629981601095
Energy: 0.6154752823718597
Energy: 0.5896849377033127
Energy: 0.6730845112906244
Energy: 0.6584203538318697
Energy: 0.6806865154027886
Energy: 0.7210797483391124
Energy: 0.5876522903269692
Energy: 0.6081206120419963
Energy: 0.6237317163291518
Energy: 0.6201097705210075
Energy: 0.6078403690013557
Energy: 0.6068114170195822
Energy: 0.5947805470261889
Energy: 0.6331573878089238
Energy: 0.6143932159721123
Energy: 0.583869375614458
Energy: 0.5406225892929698
Energy: 0.6028010570441121
Energy: 0.6079554030914881
Energy: 0.5798491119313477
Energy: 0.564364348285747
Energy: 0.6445181681611118
Energy: 0.5936533649340966
Energy: 0.5894913236535972
Energy: 0.6031645776806623
Energy: 0.5968763100972819
Energy: 0.579712963247794
Energy: 0.5589182173207836
Energy: 0.6204101425751837
Energy: 0.6452015017145202
Energy: 0.579883911262989
Energy: 0.5801221756445405
Energy: 0.6029199672846546
Energy: 0.6566855512275113
Energy: 0.5840423496128976
Energy: 0.6077456853826964
Energy: 0.6598149959200161
Energy: 0.5977888212039425
Energy: 0.5948411540466229
Energy: 0.606606572796756
Energy: 0.6039175400132014
Energy: 0.5588402774468102
Energy: 0.6351530136969754
Energy: 0.6350244546379595
Energy: 0.6324489889253396
Energy: 0.6041606590557284
Energy: 0.6212767060576445
Energy: 0.6572056385262094
Energy: 0.5928097773937739
Energy: 0.6161991348202123
Energy: 0.6142830817384549
Energy: 0.5739451023338403
Energy: 0.60261262851438
Energy: 0.604898088667612
Energy: 0.7177468633822341
Energy: 0.6196198762093513
Energy: 0.6352981626182693
Energy: 0.6114952663031199
Energy: 0.6275892079734797
Energy: 0.612911489134321
Energy: 0.5986658559052269
Energy: 0.6036861145691036
Energy: 0.6240178398047487
Energy: 0.5725760084033638
Energy: 0.645227650672017
Energy: 0.7041912649663785
Energy: 0.7044698856608624
Energy: 0.7033879521248879
Energy: 0.7035993594741153
Energy: 0.6345491159732689
Energy: 0.637784414132439
Energy: 0.6450001669410299
Energy: 0.6247839188505597
Energy: 0.6127999812204148
Energy: 0.6022524443820497

minimum gb energy = 0.5406225892929698 eV
minimum distance =  3.15787683481291 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.6518546970192521
Energy: 0.6565253443104616
Energy: 0.6425527205737468
Energy: 0.709450342225458
Energy: 0.6312311539247561
Energy: 0.7099097897499853
Energy: 0.6294189905788219
Energy: 0.6495035881714953
Energy: 0.5912149060733993
Energy: 0.6185365371092127
Energy: 0.603633012896653
Energy: 0.6380045023687475
Energy: 0.6504955638778335
Energy: 0.5994670321868366
Energy: 0.7028447488806291
Energy: 0.6518489683568706
Energy: 0.6565064741812913
Energy: 0.6623639610766917
Energy: 0.6250593822187644
Energy: 0.6523988393343871
Energy: 0.6103791494529742
Energy: 0.6587416678883806
Energy: 0.5982982237747057
Energy: 0.6664479731393708
Energy: 0.6828236579326354
Energy: 0.6954961828754519
Energy: 0.7155227873199618
Energy: 0.6135757214799329
Energy: 0.5814910485712833
Energy: 0.5931790708483389
Energy: 0.5789959361404775
Energy: 0.6158925862988971
Energy: 0.6007315495098503
Energy: 0.6011358264747827
Energy: 0.6370634845955984
Energy: 0.6408298860437609
Energy: 0.6125332373679182
Energy: 0.6753750027192618
Energy: 0.6036065327068433
Energy: 0.6773801902076367
Energy: 0.6406965944503226
Energy: 0.5925758922217844
Energy: 0.6284987007054336
Energy: 0.5849859436614641
Energy: 0.5929531473534196
Energy: 0.5767778524872413
Energy: 0.6076929581203622
Energy: 0.6090413496489334
Energy: 0.603460245259841
Energy: 0.6240689075614247
Energy: 0.5896137098331401
Energy: 0.5837299195853625
Energy: 0.5727515316106118
Energy: 0.5813913092913834
Energy: 0.5737043397042828
Energy: 0.5827040778790116
Energy: 0.5981551043129691
Energy: 0.5759369457039532
Energy: 0.6111105943589439
Energy: 0.5788708100529596
Energy: 0.5704824958554894
Energy: 0.6835114870497309
Energy: 0.595398307071238
Energy: 0.640738542111054
Energy: 0.6019783901748526
Energy: 0.646495868870261
Energy: 0.5819163315824553
Energy: 0.5775325450885562
Energy: 0.6211820053743073
Energy: 0.6075529822985285
Energy: 0.6342512343312243
Energy: 0.5849034814258542
Energy: 0.6340703897082508
Energy: 0.5738536142604281
Energy: 0.6101267602712872
Energy: 0.6306987401758469
Energy: 0.5916766692419085
Energy: 0.6014066323805617
Energy: 0.5813827560780819
Energy: 0.6815475965845715
Energy: 0.6350255080674717
Energy: 0.6414420272808441
Energy: 0.6820775355512496
Energy: 0.5819354896531009
Energy: 0.69047617905957
Energy: 0.5940414077535493
Energy: 0.6433841428531671
Energy: 0.6174522432345356
Energy: 0.6014152648644251
Energy: 0.6039556932072598
Energy: 0.5750201930641523
Energy: 0.6665051243068082
Energy: 0.590813219639875
Energy: 0.5904426283848583
Energy: 0.5761400819839388
Energy: 0.5812610143561147
Energy: 0.6140970283764395
Energy: 0.5966144255955226
Energy: 0.6218804422070527
Energy: 0.6571672077388057
Energy: 0.6662691495566995
Energy: 0.6271607790125474
Energy: 0.6392172028579404
Energy: 0.599546631836044
Energy: 0.664621511223853
Energy: 0.5756121897657279
Energy: 0.6409817478033154
Energy: 0.5833332347491268
Energy: 0.6289775200208565
Energy: 0.6099796506919981
Energy: 0.5978730193780605
Energy: 0.6340009906529986
Energy: 0.673573555192054
Energy: 0.5760131050755287
Energy: 0.6318629360756155
Energy: 0.5888065943547719
Energy: 0.5779758335393476
Energy: 0.5837686970948593
Energy: 0.5988132071683294
Energy: 0.6550522717173632
Energy: 0.6506744216068052
Energy: 0.6884213209301708
Energy: 0.6310401115427609
Energy: 0.6049310052948165
Energy: 0.6502433971534854
Energy: 0.6212693939825417
Energy: 0.6217318535303092
Energy: 0.612831233450478
Energy: 0.6314415524457392
Energy: 0.6065341536377014
Energy: 0.5930947029361158
Energy: 0.6179966535507004
Energy: 0.6077005870539562
Energy: 0.6379961128085976
Energy: 0.6463922839315546
Energy: 0.7447894314113438
Energy: 0.6793254125399533
Energy: 0.5956253261945202
Energy: 0.7186062215414077
Energy: 0.6443840429950318
Energy: 0.6677859512403739
Energy: 0.593810319245827
Energy: 0.6167366137294904
Energy: 0.6657353088323542
Energy: 0.6098243021689526
Energy: 0.5949486912301639
Energy: 0.6017945943909828
Energy: 0.6658438678388207
Energy: 0.5877480057930933
Energy: 0.5893033295026776
Energy: 0.6116174178190508
Energy: 0.6139477560686074
Energy: 0.5710629270259779
Energy: 0.6391186883136023
Energy: 0.6513924712304556
Energy: 0.6583340339496747
Energy: 0.7449673233158346
Energy: 0.6576899136967322
Energy: 0.6572183448611597
Energy: 0.7445478276456435
Energy: 0.6574637651904843
Energy: 0.6352231361001581
Energy: 0.589537352356983
Energy: 0.6563644159185322
Energy: 0.6006914084601214
Energy: 0.6249985980859277
Energy: 0.6138788434383652
Energy: 0.6370855775225746
Energy: 0.6613093898266508
Energy: 0.6563827298893068
Energy: 0.6557909929683764
Energy: 0.6224865637687875
Energy: 0.6481181257517368
Energy: 0.6360625706809867
Energy: 0.6076525145697863
Energy: 0.6518265498669568
Energy: 0.5826540480132317
Energy: 0.6879709110263691
Energy: 0.6426829250053148
Energy: 0.6875822591194934
Energy: 0.6962034451659309
Energy: 0.6307411412931552
Energy: 0.5871703327994059
Energy: 0.6479422196164423
Energy: 0.5790143983258064
Energy: 0.5974701049245162
Energy: 0.6152535676741769
Energy: 0.6200462222100939
Energy: 0.6559631123545032
Energy: 0.6408855064850725
Energy: 0.6289855005139386
Energy: 0.6063318689082619
Energy: 0.5859159754868315
Energy: 0.5952977713451099
Energy: 0.5865676665875014
Energy: 0.635657292130716
Energy: 0.6539455411585999
Energy: 0.6027106777064363
Energy: 0.5942686730569868
Energy: 0.5899065250706658
Energy: 0.5852195290425576
Energy: 0.633788946958605
Energy: 0.6178346340601784
Energy: 0.5987120745743735
Energy: 0.582620266288544
Energy: 0.6590341886133259
Energy: 0.5704969502781134
Energy: 0.599118763983826
Energy: 0.6026834774749308
Energy: 0.6092336705899754
Energy: 0.5916013479083306
Energy: 0.5923964073655058
Energy: 0.6625488099809389
Energy: 0.63065025051163
Energy: 0.6524297490501092
Energy: 0.6748221625141878
Energy: 0.6387365243902703
Energy: 0.6514776351203712
Energy: 0.5867768623165557
Energy: 0.6452041768998976
Energy: 0.5736503467068371
Energy: 0.5836500536490988
Energy: 0.631258591914791
Energy: 0.5817669032763425
Energy: 0.6197906995009493
Energy: 0.5880106371394298
Energy: 0.5891284097815596
Energy: 0.5707397781156016
Energy: 0.5816663575077936
Energy: 0.6294227082634117
Energy: 0.5739724419642475
Energy: 0.5926986835778356
Energy: 0.6132035903980851
Energy: 0.6823472490396123
Energy: 0.6386918986224478
Energy: 0.6472911158033835
Energy: 0.6811887270421063
Energy: 0.6180477292868609
Energy: 0.5846332343204175
Energy: 0.5842008484339566
Energy: 0.6422908620694534
Energy: 0.6012830204290481
Energy: 0.6331137826128252
Energy: 0.5869574482200278
Energy: 0.5992610632189067
Energy: 0.6659791838886108
Energy: 0.5948889704259555
Energy: 0.5986072176575749
Energy: 0.5903431873819146
Energy: 0.5837536670963834
Energy: 0.6136667194838857
Energy: 0.5995019785488237
Energy: 0.6308973652858012
Energy: 0.6214826830148247
Energy: 0.5989722936295286
Energy: 0.5766629941530002
Energy: 0.5712677888243686
Energy: 0.6325139026428097
Energy: 0.593598656693072
Energy: 0.576081686614674
Energy: 0.650428740016747
Energy: 0.5783178562948825
Energy: 0.6214569072006381
Energy: 0.5952666650142283
Energy: 0.5773078000322137
Energy: 0.6261349281872776
Energy: 0.6565052020843336
Energy: 0.5790187519624054
Energy: 0.6703097412218009
Energy: 0.6577092302346619
Energy: 0.6726561762620389
Energy: 0.6912883524428016
Energy: 0.5776282217535634
Energy: 0.6553698632988172
Energy: 0.6467894428628717
Energy: 0.6994655958700191
Energy: 0.6549175422303285
Energy: 0.6413902628146835
Energy: 0.6299126606061091
Energy: 0.6156307569947997
Energy: 0.651978724281781
Energy: 0.6251140306883286
Energy: 0.6432684369849323
Energy: 0.618731805957148
Energy: 0.6502344750780851
Energy: 0.6357117239414437
Energy: 0.6155158186994266
Energy: 0.6132168108911538
Energy: 0.6418296415921614
Energy: 0.7090068981099534
Energy: 0.6828239940385643
Energy: 0.5980695723558823
Energy: 0.7192501978855466
Energy: 0.698056233127157
Energy: 0.647725592392788
Energy: 0.5955197908277483
Energy: 0.574022718510096
Energy: 0.570313270079232
Energy: 0.608124068097837
Energy: 0.5849231923027736
Energy: 0.5943656708939148
Energy: 0.7100924062630635
Energy: 0.5990350910021969
Energy: 0.5886087477865253
Energy: 0.6095895112145436
Energy: 0.6419182817534971
Energy: 0.5855069614023882
Energy: 0.6182399080014765
Energy: 0.6373913643560862
Energy: 0.6158242776826223
Energy: 0.6355335771385004
Energy: 0.6248047226922856
Energy: 0.6214298055871101
Energy: 0.707510582083657
Energy: 0.6650369441256408

minimum gb energy = 0.570313270079232 eV
minimum distance =  3.11399776983232 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.622984403443757
Energy: 0.5306385420766067
Energy: 0.5298132300912323
Energy: 0.5306978066370603
Energy: 0.5309424059109316
Energy: 0.5304243851569912
Energy: 0.5305753963870622
Energy: 0.623628604129251
Energy: 0.638049132624055
Energy: 0.5304323644586869
Energy: 0.530251273521137
Energy: 0.5296628184757977
Energy: 0.5303011710148248
Energy: 0.6383066367450415
Energy: 0.6234735398515983
Energy: 0.6382089782918611
Energy: 0.5300085653747522
Energy: 0.5300772097521087
Energy: 0.5300010188958835
Energy: 0.5299366076103781
Energy: 0.5303796605024971
Energy: 0.529575327433789
Energy: 0.6380528959507267
Energy: 0.5299021413886806
Energy: 0.5301900464816417
Energy: 0.5300664569697116
Energy: 0.5299148068646341
Energy: 0.5309774636893942
Energy: 0.6536347521321901
Energy: 0.6380179626880749
Energy: 0.5358522329159079
Energy: 0.6383367881544231
Energy: 0.5302778532637864
Energy: 0.5351943452459138
Energy: 0.6376375194284568
Energy: 0.6232911408951809
Energy: 0.6376194311867982
Energy: 0.5298499174433324
Energy: 0.530407364923933
Energy: 0.5302824786805949
Energy: 0.5307435189222217
Energy: 0.5307168661382397
Energy: 0.6274407793561788
Energy: 0.6380963903276891
Energy: 0.5303936279237729
Energy: 0.5299998401858519
Energy: 0.5297280948050739
Energy: 0.5300862933520805
Energy: 0.6386635908400788
Energy: 0.567751342804196
Energy: 0.6383017899559839
Energy: 0.5301259520656281
Energy: 0.5300018786164424
Energy: 0.5300411736375648
Energy: 0.5298656837713303
Energy: 0.6384058345319223
Energy: 0.6240151780309627
Energy: 0.6380019938676794
Energy: 0.5298627888300034
Energy: 0.5304541850245192
Energy: 0.5304450094545258
Energy: 0.5299984374809149
Energy: 0.5307210143451423
Energy: 0.6535181512713866
Energy: 0.6377229441417707
Energy: 0.6229246553409318
Energy: 0.6376969122854256
Energy: 0.6376372160795626
Energy: 0.6228532011556219
Energy: 0.6377604467234814
Energy: 0.6241364108491234
Energy: 0.6378319588711212
Energy: 0.529928562290808
Energy: 0.5303839575147046
Energy: 0.5301472388401254
Energy: 0.5299383710017708
Energy: 0.5307592690953334
Energy: 0.6271495297926833
Energy: 0.6381217864777675
Energy: 0.5299655297983454
Energy: 0.5300800417722082
Energy: 0.5299520357403822
Energy: 0.5300744573952714
Energy: 0.6387176053199727
Energy: 0.5693525676905918
Energy: 0.638374011822461
Energy: 0.5303290665474105
Energy: 0.5301292375433058
Energy: 0.5302310462710428
Energy: 0.5301352625292599
Energy: 0.6383982918639751
Energy: 0.6231117725314205
Energy: 0.6377559190723382
Energy: 0.5299606850013768
Energy: 0.5303926585059695
Energy: 0.5309636238332904
Energy: 0.5305411079605539
Energy: 0.5307044938910748
Energy: 0.6537710192473725
Energy: 0.6374405121600247
Energy: 0.5353744424312155
Energy: 0.5301645729557138
Energy: 0.5298813068714763
Energy: 0.5303532387260307
Energy: 0.638120556650584
Energy: 0.5299557890302854
Energy: 0.6380711069893471
Energy: 0.5300659117483089
Energy: 0.5303986277115861
Energy: 0.5300428615579915
Energy: 0.5298217584737103
Energy: 0.5301067186445364
Energy: 0.6237480484108066
Energy: 0.6382124584253667
Energy: 0.5299466573319092
Energy: 0.5300206608677566
Energy: 0.5301475574118022
Energy: 0.5300240012855273
Energy: 0.5301282136032053
Energy: 0.6538854215049916
Energy: 0.6377417681059562
Energy: 0.5306490285524282
Energy: 0.5296891750595301
Energy: 0.5303386438981841
Energy: 0.530381242470712
Energy: 0.6374991466261557
Energy: 0.6230069305507777
Energy: 0.6378724774118025
Energy: 0.5298496182731639
Energy: 0.5303987651949491
Energy: 0.5310290239230122
Energy: 0.530543594924704
Energy: 0.5306673482810131
Energy: 0.5693193637593231
Energy: 0.63839281127082
Energy: 0.5302562177774341
Energy: 0.5301689712139175
Energy: 0.5297367706030468
Energy: 0.5302169370365314
Energy: 0.6382056603474573

minimum gb energy = 0.529575327433789 eV
minimum distance =  3.28474847519187 Angstroms
sigma value = 23