Model name: model_name=SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.653443209826946
cohesive_energy=8.386661348827927
mass=95.95
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=[8.25407756127486e-19, 9.2202060933432e-19, 9.64849995114408e-19, 1.007253201909852e-18, 1.0455083733998699e-18, 1.0748057753291939e-18, 1.09432669543785e-18, 1.1066394228701399e-18, 1.1171769385919579e-18, 1.1297139707530079e-18, 1.145495410597908e-18, 1.164410707938912e-18, 1.185644354869314e-18, 1.2081068712779939e-18, 1.2307183901136359e-18, 1.2525496489285199e-18, 1.2728716573541759e-18, 1.2911380731584099e-18, 1.3069659761256958e-18, 1.320102222347862e-18, 1.330388196338142e-18, 1.337740584911568e-18, 1.3421337532419957e-18, 1.3435853252723998e-18, 1.342002374758008e-18, 1.3368641942927698e-18, 1.327550741519328e-18, 1.3133634674252579e-18, 1.293490068457122e-18, 1.2669580233980818e-18, 1.23256249541937e-18, 1.188805449368196e-18, 1.133813940759414e-18, 1.065290448299868e-18, 9.80697124201302e-19, 8.776595426921279e-19, 7.542598983414479e-19, 6.0927573037752e-19, 4.416720326947799e-19, 2.48951011920822e-19, 2.49540612922134e-20, -2.4227313971031e-19, -5.7192899303898e-19, -9.89017227461664e-19, -1.52616937448304e-18, -2.2335143366277e-18, -3.18134601153576e-18, -4.48676748938628e-18, -6.37993144365336e-18, -9.2731580310969e-18, -1.3805331206290739e-17, -2.13006179137032e-17, -3.52491676893072e-17, -6.57015787540818e-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: 0.03676231164078398
Energy: 0.03737450277468503
Energy: 4.838706461416415
Energy: 0.03742320631962136
Energy: 0.03771307541519991
Energy: 5.3844996295359575
Energy: 0.037334355145884755
Energy: 0.03871512836673739
Energy: 0.8859691945345901
Energy: 0.7171427808176754
Energy: 0.7167472010326135
Energy: 0.8863031940293103
Energy: 0.8869898241855532
Energy: 0.7166154440638522
Energy: 0.7180808140296363
Energy: 0.8863477881113883
Energy: 0.8862614053670536
Energy: 0.7170774355797637
Energy: 0.717994156101351
Energy: 0.8866490843394277
Energy: 0.7164277492769251
Energy: 0.7213589074058587
Energy: 0.7165447031196323
Energy: 0.8905940963143596
Energy: 0.7179247449010372
Energy: 0.7184480287587968
Energy: 0.8892973302108992
Energy: 0.7168821061435083
Energy: 0.7168061775427053
Energy: 0.8883413893379839
Energy: 0.8863536960780098
Energy: 0.7168082096297683
Energy: 0.7167666615508786
Energy: 0.8856027832796461
Energy: 0.7163443460147021
Energy: 0.03802285617498471
Energy: 0.8861569591777093
Energy: 0.7176434001867026
Energy: 0.03977581354073184
Energy: 0.04067598563180994
Energy: 0.8872454561829725
Energy: 0.7171635682509976

minimum gb energy = 0.03676231164078398 eV
minimum distance =  2.26951328079855 Angstroms
sigma value = 5


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

Energy: 9.055975767228295
Energy: 4.772397153341861
Energy: 4.842816371563432
Energy: 4.709131744605087
Energy: 4.703709155099625
Energy: 4.807823466738493
Energy: 5.063477372145032
Energy: 4.8575750632055765
Energy: 4.746312159286461
Energy: 4.728959745323944
Energy: 4.721534288387983
Energy: 4.7463712593386935
Energy: 4.914060856231223
Energy: 4.787449640585392
Energy: 4.8190524036477935
Energy: 4.9309171920168335
Energy: 4.900925994301696
Energy: 4.822739009259765
Energy: 4.850567699181355
Energy: 4.931942466105448
Energy: 4.834458228603065
Energy: 4.802299301120695
Energy: 4.9317195159714675
Energy: 4.928306226799469
Energy: 4.818115822873647
Energy: 4.8427528779788895
Energy: 4.950376559042224
Energy: 4.863831413041455
Energy: 4.821287948101036
Energy: 4.702195398941757
Energy: 4.933548015850214
Energy: 4.827752415237207
Energy: 4.895155152945106
Energy: 4.946441543960624
Energy: 4.888017336541642
Energy: 4.92887750166568
Energy: 4.810635342247048
Energy: 4.906222174822068
Energy: 4.958625501046088
Energy: 4.869576538352407
Energy: 4.812775100183073
Energy: 4.932314629026265
Energy: 4.942422107722879
Energy: 4.809799390202238
Energy: 4.829077093565841
Energy: 4.952651396787692
Energy: 4.900725668039534
Energy: 4.837470170527755
Energy: 4.870682277569271
Energy: 4.929802391607726
Energy: 4.795754860337221
Energy: 4.8367775050960535
Energy: 4.94900218575633
Energy: 4.752010565571848
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Energy: 4.662887890502661
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Energy: 4.712725028904868
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Energy: 4.640516760093391
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Energy: 4.671530041455627
Energy: 4.645368889034453
Energy: 4.765315528997794
Energy: 4.985697737273751
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Energy: 5.100404744887409
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Energy: 4.835609749383931
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Energy: 4.929268270535609
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Energy: 4.862205756392177
Energy: 4.801906250088683
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Energy: 4.698133574559316
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Energy: 4.688735090279465
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Energy: 4.753902443386964
Energy: 4.7192027723631655
Energy: 4.72487475756325
Energy: 4.763891306835193
Energy: 4.703348596664085
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Energy: 4.768772532342483
Energy: 4.77148826030083
Energy: 4.75063824862037
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Energy: 4.690326317912156
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Energy: 4.782182702257302
Energy: 4.707889107761407
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Energy: 4.724903664518111
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Energy: 4.613643822801128
Energy: 4.732125314222093
Energy: 4.59110147754412
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Energy: 4.655974465583882
Energy: 4.746544400957414
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Energy: 4.753492268441596
Energy: 4.6347864143046635
Energy: 4.589627455942707
Energy: 4.634570871086365
Energy: 4.736225661636832
Energy: 4.629834836181621
Energy: 4.650918008585603
Energy: 4.630453430407824
Energy: 4.80664945978811
Energy: 4.80483632809267
Energy: 4.7056896459033135
Energy: 4.6303508865381175
Energy: 4.703667898256106
Energy: 4.6979860895990315
Energy: 4.632569906521613
Energy: 4.587972377335656
Energy: 4.737788304493682
Energy: 4.665645594982741
Energy: 4.852180849101918
Energy: 4.714842262303588
Energy: 4.821310986923746
Energy: 4.630780869111602
Energy: 4.633068789740093
Energy: 4.7704609871589305
Energy: 4.63407813910326
Energy: 4.619808014914321
Energy: 4.704735590111793
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Energy: 4.748544870658997
Energy: 4.707286954948893
Energy: 4.624874835885755
Energy: 4.637671563691711
Energy: 4.735766249569429
Energy: 4.629426808679193
Energy: 4.623768568279223
Energy: 4.7255233333702815
Energy: 4.75260811655505
Energy: 4.585871626393866
Energy: 4.650996589526204
Energy: 4.750047792762456
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Energy: 4.623190412770295
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Energy: 4.796543948048238
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Energy: 4.632039312645924
Energy: 4.771239008847618
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Energy: 4.710641366879927
Energy: 4.806037076867305
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Energy: 4.732324322336036
Energy: 4.707705084365853
Energy: 4.861074542157012
Energy: 4.703594896978664
Energy: 4.687363793459653
Energy: 4.786608201923559
Energy: 4.713638084355275
Energy: 4.712810751432096
Energy: 4.775424289544264
Energy: 4.809115298193133
Energy: 4.750474278658385
Energy: 4.666530812211945
Energy: 4.585160600052481
Energy: 4.768483156318673
Energy: 4.659929522287384
Energy: 4.616618052193297
Energy: 4.651262765554853
Energy: 4.750435964071936
Energy: 4.674524561556317
Energy: 4.580966467687714
Energy: 4.676992225629276
Energy: 4.71222082414542
Energy: 4.581832007524221
Energy: 4.660755988062003
Energy: 4.701824847282589
Energy: 4.73569360031521
Energy: 4.795317389381022
Energy: 4.705114140009551
Energy: 4.716289373216905
Energy: 4.78243087704103
Energy: 4.800959254086753
Energy: 4.700390987373033
Energy: 4.713249267738717
Energy: 4.7413401837160505
Energy: 4.723540987983052
Energy: 4.740909853426346
Energy: 4.741565551281744
Energy: 4.781566173501831
Energy: 4.683285522737795
Energy: 4.686342346110487
Energy: 4.800939431948191
Energy: 4.725105304905041
Energy: 4.71809476083567
Energy: 4.730902235355687
Energy: 4.72409614013668
Energy: 4.693205093947464
Energy: 4.75211132747125
Energy: 4.740686465778557
Energy: 4.865360377002626
Energy: 4.698444693749209
Energy: 4.75133448496688
Energy: 4.781365202460271
Energy: 4.800552247527536
Energy: 4.932840079569144
Energy: 4.9075112475488645
Energy: 4.800133730735965
Energy: 4.861740375675373
Energy: 4.969116147040737
Energy: 4.827843558136601
Energy: 4.8185884340433836
Energy: 4.949668192976418
Energy: 4.902308535309057
Energy: 4.860245219393871
Energy: 4.931278192251199
Energy: 4.941679017398894
Energy: 4.8368067475834495
Energy: 4.820784791067185
Energy: 4.803251147041108
Energy: 4.8358727654875615
Energy: 4.816633784312502
Energy: 4.756404674723418
Energy: 4.70973209991029
Energy: 4.800656337092624
Energy: 4.615801348064776
Energy: 4.812410684499222
Energy: 4.770401306550731
Energy: 4.630370467310874
Energy: 4.64503547609719
Energy: 4.741450945190425
Energy: 4.703065147392263

minimum gb energy = 4.580963078425532 eV
minimum distance =  2.1314821758223 Angstroms
sigma value = 401


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

Energy: 7.69349155754417
Energy: 4.959129192324983
Energy: 4.9132470509343635
Energy: 4.640542278301335
Energy: 4.660123551597192
Energy: 5.108462243650785
Energy: 4.9239014517346575
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Energy: 4.651577805736636
Energy: 5.025974948132337
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Energy: 4.7227289476505305
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Energy: 5.138659876871057
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Energy: 5.18660932904834
Energy: 4.9032686788080815
Energy: 4.908434930469059
Energy: 5.069335076220538
Energy: 5.290943191758053
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Energy: 5.174902004102142
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Energy: 4.891413260016448
Energy: 4.7412103792999
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Energy: 4.603164552052499
Energy: 4.604285329073853
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Energy: 4.9183055025855955
Energy: 5.23633965811873
Energy: 4.743790902676855
Energy: 4.743633383923155
Energy: 4.910855743810175
Energy: 4.918146654668551
Energy: 4.912867307967261
Energy: 5.054850362177948
Energy: 5.055832534650874
Energy: 4.917031977344016
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Energy: 5.2221119631009225
Energy: 4.91889344056715
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Energy: 5.062808109948878
Energy: 4.928166355535081
Energy: 5.059323593209585
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Energy: 5.070685355012955
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Energy: 4.878474666486472
Energy: 5.10060545397694
Energy: 5.254904581873566
Energy: 4.897746237228662
Energy: 5.012967716488068
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Energy: 5.228175143084052
Energy: 5.018449724620233
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Energy: 5.299338745232338
Energy: 5.097901537008994
Energy: 5.001099355563325
Energy: 5.071251910053934
Energy: 5.230767124185045
Energy: 5.005530416381773
Energy: 4.999014220903686
Energy: 5.249512564837082
Energy: 4.913874198904764
Energy: 5.023711734700971
Energy: 5.076337075804588
Energy: 5.057862320884656
Energy: 4.887556380105016
Energy: 4.9275487046179585
Energy: 4.934544797974302
Energy: 4.908313190336954
Energy: 4.9524991739020585
Energy: 5.089836267170082
Energy: 5.251806553201328
Energy: 4.761314196897457
Energy: 4.889978545741083
Energy: 5.13061171925236
Energy: 4.82210769569512
Energy: 4.868929168447782
Energy: 5.050431787109662
Energy: 4.771459842509419
Energy: 4.887787795943375
Energy: 4.937215849864665
Energy: 4.950234009789919
Energy: 4.8819805218231895
Energy: 4.942346186577096
Energy: 4.972759542295663
Energy: 5.228798762640037
Energy: 5.024034742041888
Energy: 5.013183649339599
Energy: 5.093354944854479
Energy: 4.865151779225014
Energy: 5.0093916821169
Energy: 5.073857007555176
Energy: 5.2312634536649725
Energy: 5.02577414411613
Energy: 5.04321414506803
Energy: 5.047170821538471
Energy: 5.049040913175607
Energy: 5.043864563468157
Energy: 5.0488772161272
Energy: 4.886491118291872
Energy: 5.005038018776439
Energy: 5.002900981428329
Energy: 5.131796350667927
Energy: 4.832548523350622
Energy: 5.031893201079324
Energy: 4.922538226120712
Energy: 4.882423135278795
Energy: 4.877894000303111
Energy: 4.93590742212403
Energy: 4.780944570157507
Energy: 4.894767216974359
Energy: 4.943056104132728
Energy: 4.978625568361865
Energy: 4.8765470286215615
Energy: 4.880372432756237
Energy: 4.957819011147537
Energy: 4.805885562215871
Energy: 4.82505961136857
Energy: 4.942868615963751
Energy: 4.89828495548719
Energy: 4.870830526463369
Energy: 4.920887587044296
Energy: 5.133255092915685
Energy: 4.855317150180516
Energy: 4.652013721663224
Energy: 4.740402094043096
Energy: 4.894714941924373
Energy: 4.753490620726271
Energy: 4.838638250716085
Energy: 5.074630441612778
Energy: 4.754360402185084
Energy: 4.746694331387894
Energy: 5.04199540817927
Energy: 4.746823319639407
Energy: 4.750997701297397
Energy: 4.840826536816543
Energy: 4.875953388973966
Energy: 4.746201739823797
Energy: 4.807027798792477
Energy: 4.955930933872972
Energy: 4.925706551485265
Energy: 4.8976764275540825
Energy: 4.6584561692924025
Energy: 5.042479841780505
Energy: 4.761423958688144
Energy: 4.660442582782233
Energy: 5.220966213653959
Energy: 4.748068478932355
Energy: 4.699515046649488
Energy: 4.701323120603228
Energy: 4.907131547900182
Energy: 4.607839375077906
Energy: 4.605760946701251
Energy: 4.741051552195205
Energy: 4.7298245877337886

minimum gb energy = 4.603164552052499 eV
minimum distance =  2.14001740705766 Angstroms
sigma value = 311


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

Energy: 5.003710367591605
Energy: 5.347247747597941
Energy: 5.298804870301654
Energy: 4.78295999812484
Energy: 5.124703966225629
Energy: 5.1233663887753105
Energy: 5.319394985176942
Energy: 4.663840529925522
Energy: 4.668222110758521
Energy: 4.669384274823016
Energy: 4.571793961011329
Energy: 4.599571178942854
Energy: 4.599192341165318
Energy: 4.584454719281692
Energy: 4.61232995245784
Energy: 4.61780334003335
Energy: 4.599659485563705
Energy: 4.599863414591966
Energy: 4.57081391932641
Energy: 4.666051522035997
Energy: 4.579599143988676
Energy: 4.81663423201428
Energy: 4.814862099457082
Energy: 4.814975144071751
Energy: 4.81836112209545
Energy: 4.880510916961189
Energy: 4.87866215014935
Energy: 4.852937766834636
Energy: 4.588120746840326
Energy: 4.607382195061555
Energy: 4.597940453369526
Energy: 4.708333787978477
Energy: 4.702454698488753
Energy: 4.6991323119348
Energy: 4.6987577183102855
Energy: 4.898409793338272
Energy: 4.958608573142555
Energy: 4.703380264426411
Energy: 4.700139067980416
Energy: 4.601540073421735
Energy: 4.597173631819423
Energy: 4.596846509726868
Energy: 4.899163966497515
Energy: 4.898282418422792
Energy: 4.569506230045191
Energy: 4.59743141995772
Energy: 4.596908278245102
Energy: 4.5964728894165585
Energy: 4.9009127398591845
Energy: 4.583392111049065
Energy: 4.564504063181313
Energy: 4.673377208163391
Energy: 4.664433782313651
Energy: 4.567667258663313
Energy: 4.564396757199086
Energy: 4.584394326662499
Energy: 4.932558081513385
Energy: 4.574082157210631
Energy: 4.596633926368379
Energy: 4.59673267627948
Energy: 4.597855789565807
Energy: 4.6652038530900315
Energy: 4.664808864063158
Energy: 4.935276469443579
Energy: 4.932872119971083
Energy: 4.930117816617587
Energy: 4.948882268854946
Energy: 4.567671657882175
Energy: 4.97398579702402
Energy: 4.9306283244634725
Energy: 4.639333018433089
Energy: 4.570339148377176
Energy: 4.667660583184008
Energy: 4.6647599298215745
Energy: 4.668727518267187
Energy: 4.672342401565697
Energy: 4.584868699729979
Energy: 5.010296320847913
Energy: 5.012627861722843
Energy: 5.01130596140552
Energy: 4.707861876747825
Energy: 4.7844335682379935
Energy: 4.718802099651165
Energy: 5.010749837709921
Energy: 5.009392732699057
Energy: 5.011903141994372
Energy: 5.124665281501377
Energy: 4.806991716546454
Energy: 4.785191129403201
Energy: 4.789236486495633
Energy: 4.7872027000763255
Energy: 4.575548863855434
Energy: 4.585460682013937
Energy: 4.667651609466324
Energy: 4.667616186929813
Energy: 4.568618050267558
Energy: 4.565378864157603
Energy: 4.556632495335013
Energy: 4.616455877498234
Energy: 4.620686184058821
Energy: 4.6165034305383355
Energy: 4.5987345640753325
Energy: 4.598249412883705
Energy: 4.931897048009941
Energy: 4.668292494606714
Energy: 4.852008147827333
Energy: 4.851287143236746
Energy: 4.85089392759114
Energy: 4.851912680083019
Energy: 4.872992160229837
Energy: 4.882172545552177
Energy: 4.876596819575271
Energy: 4.587514040954847
Energy: 4.615560228600829
Energy: 4.697159644322048
Energy: 4.698015637754456
Energy: 4.697577400481386
Energy: 4.698031245158082
Energy: 4.581762033145667
Energy: 4.947533923223632
Energy: 4.960188917404449
Energy: 4.954284912434137
Energy: 4.5974303169068556
Energy: 4.601588712127205
Energy: 4.60004589155915
Energy: 4.600080443436449
Energy: 4.901448535561944
Energy: 4.929192948521223
Energy: 4.908434685384223
Energy: 4.596249752450894
Energy: 4.5970882035110465
Energy: 4.616919913747554
Energy: 4.895912460095576
Energy: 4.581906461325891
Energy: 4.587280680928652
Energy: 4.665964874538192
Energy: 4.664682208594744
Energy: 4.668866675089137
Energy: 4.569227743156315
Energy: 4.584802362776401
Energy: 4.935026809212499
Energy: 4.932433863156986
Energy: 4.93055375295497
Energy: 4.9303271734764955
Energy: 4.596673669493415
Energy: 4.932173337829701
Energy: 4.931258245037589
Energy: 4.931963620710303
Energy: 4.5693697609342605
Energy: 4.5713526147792445
Energy: 4.597034314934083
Energy: 4.567563752712078
Energy: 4.6610098934652235
Energy: 4.931322106748565
Energy: 4.619729478446989
Energy: 4.68643491264508
Energy: 4.662902202737603
Energy: 4.663321142601351
Energy: 4.665543011410045
Energy: 4.570486480967397
Energy: 4.583192992010633
Energy: 5.014244217518378
Energy: 5.009645269312344
Energy: 4.694099803563716
Energy: 4.783090032371039
Energy: 4.785907490024485
Energy: 4.782274774381844
Energy: 5.010624341951703
Energy: 5.010264337131317
Energy: 5.011896290998796
Energy: 4.779980147577459
Energy: 4.784135666700397
Energy: 4.783215569542319
Energy: 4.782051560379018
Energy: 4.701630039777114
Energy: 4.57777813626439
Energy: 4.583703374411642
Energy: 4.571301226537701
Energy: 4.67135881579588
Energy: 4.675182627864483
Energy: 4.566936408682736
Energy: 4.58610892351982
Energy: 4.90001375575861
Energy: 4.598472084535838
Energy: 4.597973600116678
Energy: 4.597217020756833
Energy: 4.597147542042004
Energy: 4.910977715538436
Energy: 4.929942258497375
Energy: 4.8498604377456775
Energy: 4.851447568748114
Energy: 4.8505871967475676
Energy: 4.848607821198738
Energy: 4.869545851827022
Energy: 4.882858897039328
Energy: 4.878531099378141
Energy: 4.5891667900894015
Energy: 4.701117355205508
Energy: 4.696494931208016
Energy: 4.699039078101906
Energy: 4.7012787737662585
Energy: 4.600105061293854
Energy: 4.5838585605434945
Energy: 4.903019183236175
Energy: 4.935212590452907
Energy: 4.585556164236309
Energy: 4.52071569615453
Energy: 4.571790519962282
Energy: 4.5686750798195
Energy: 4.567944744837227
Energy: 4.892798251936931
Energy: 4.929488851534228
Energy: 4.662783512691966
Energy: 4.596831630633393
Energy: 4.598563283571503
Energy: 4.59862778322722
Energy: 4.598395459000733
Energy: 4.579548348910286
Energy: 4.573576533959528
Energy: 4.5663365059057375
Energy: 4.663742780131716
Energy: 4.668484005544976
Energy: 4.6688076300518
Energy: 4.583742124348212
Energy: 4.932697284025298
Energy: 4.932454787607971
Energy: 4.93108115032122
Energy: 4.930095557083428
Energy: 4.936846328389201
Energy: 4.936268009577375
Energy: 4.93477562987717
Energy: 4.662533219726316
Energy: 4.574912731067423
Energy: 4.569230465444176
Energy: 4.598154735690295
Energy: 4.665675881358759
Energy: 4.930384645725401
Energy: 4.931912062099423
Energy: 4.579391131318544
Energy: 4.662819857720617
Energy: 4.672669210324535
Energy: 4.668889082030991
Energy: 4.571398813003295
Energy: 4.5693725212746426
Energy: 4.562094553917735
Energy: 5.0110910005070615
Energy: 5.010270587592761
Energy: 4.801846334963764
Energy: 4.799505448554311
Energy: 4.783081908138182
Energy: 4.783463940218712
Energy: 5.092754586855843

minimum gb energy = 4.52071569615453 eV
minimum distance =  2.13653178250446 Angstroms
sigma value = 39


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

Energy: 5.951175281341484
Energy: 4.94918782852912
Energy: 4.891955978902966
Energy: 4.953080203285143
Energy: 4.95110517759559
Energy: 4.616169870059812
Energy: 4.951507002992122
Energy: 4.834560215972167
Energy: 4.62836736506468
Energy: 4.768170357910644
Energy: 4.980687761327776
Energy: 4.83580203461116
Energy: 4.6072139752036625
Energy: 4.8159720346035675
Energy: 4.9728236732381115
Energy: 4.60949549712852
Energy: 4.789986375729665
Energy: 4.999966614747675
Energy: 4.6196432142444745
Energy: 4.785764666841152
Energy: 4.844270573771444
Energy: 4.939000629367982
Energy: 4.346834872350847
Energy: 4.866770861088379
Energy: 4.98375445513328
Energy: 4.5921576077307575
Energy: 4.351525821768391
Energy: 4.826043100201886
Energy: 4.866792628833028
Energy: 4.604525584860719
Energy: 4.786365510771029
Energy: 4.811780920041688
Energy: 4.605177944326837
Energy: 4.788025703289438
Energy: 4.783712148113199
Energy: 4.860747308552509
Energy: 4.6017445333011
Energy: 4.767922477052074
Energy: 4.78998944544947
Energy: 4.599233404286128
Energy: 4.612972390260409
Energy: 4.787235781056801
Energy: 4.850775205422125
Energy: 4.602348326555584
Energy: 4.605031616612128
Energy: 4.976045194195051
Energy: 4.623339764865841
Energy: 4.6065401358057
Energy: 4.769400487622715
Energy: 4.862993161948784
Energy: 4.601294771326651
Energy: 4.60781596025991
Energy: 4.869451509707156
Energy: 4.842513589333841
Energy: 4.603196824707637
Energy: 4.787607710791406
Energy: 4.841468564973683
Energy: 4.8371569816123765
Energy: 4.612679283750863
Energy: 4.83788088965154
Energy: 4.838945979571851
Energy: 4.612465074325619
Energy: 4.837103794097622
Energy: 4.840968059542724
Energy: 4.840215491006587
Energy: 5.136551000230324
Energy: 4.922037890957433
Energy: 4.839409393990639
Energy: 4.623151731426511
Energy: 4.928010389408571
Energy: 4.838717264633642
Energy: 4.8356507205338595
Energy: 4.770432428708554
Energy: 4.953614658342445
Energy: 4.8350140436660745
Energy: 4.603667581090841
Energy: 4.834422063777644
Energy: 4.850544364183627
Energy: 4.505653503530196
Energy: 4.847410335695457
Energy: 4.970149916888082
Energy: 4.6215311847940885
Energy: 4.846232389357931
Energy: 4.991641641791437
Energy: 5.118477216387659
Energy: 4.5076410626825
Energy: 5.077276403709268
Energy: 5.057920147664929
Energy: 4.6441085922052725
Energy: 4.50880078163751
Energy: 5.0566147607925975
Energy: 4.973411272312032
Energy: 4.622960905989591
Energy: 4.785327785253984
Energy: 5.001766005962306
Energy: 4.8499709035652625
Energy: 4.7841666549409085
Energy: 5.0013865295383075
Energy: 4.835124618336877
Energy: 4.837187000343262
Energy: 4.766822876649604
Energy: 4.925087137875031
Energy: 4.841836646692043
Energy: 4.601466383855053
Energy: 4.81785556221595
Energy: 4.837711002253506
Energy: 4.838840296202977
Energy: 4.635430228096004
Energy: 4.949148114208854
Energy: 4.9480229289000714
Energy: 4.630529681366314
Energy: 4.953930760057351
Energy: 4.926783258997343
Energy: 4.625872169163049
Energy: 4.768747041003211
Energy: 4.985346188710015
Energy: 4.8367565011675016
Energy: 4.60736707842349
Energy: 4.81557464945917
Energy: 4.971708053207527
Energy: 4.611003569029133
Energy: 4.790939773199139
Energy: 5.0005025620602845
Energy: 4.620254844279957
Energy: 4.787098038988854
Energy: 4.844818008878529
Energy: 4.9843740011909325
Energy: 4.348465237018317
Energy: 4.869761928389506
Energy: 4.983188826987641
Energy: 4.591209284083126
Energy: 4.352806653542235
Energy: 4.830716579018891
Energy: 4.845473058764912
Energy: 4.604807795498954
Energy: 4.787839162126733
Energy: 4.81139810442808
Energy: 4.604572050792481
Energy: 4.785858559351459
Energy: 4.784047250114992
Energy: 4.855701730318542
Energy: 4.603195495060039
Energy: 4.768753457772632
Energy: 4.789386056133274
Energy: 4.600904465350885
Energy: 4.613731740316467
Energy: 4.787096585727887
Energy: 4.850862411207876
Energy: 4.602067388850578
Energy: 4.6054148193703535
Energy: 4.9761004897882914
Energy: 4.618074739575918
Energy: 4.606116307075377
Energy: 4.7691338559373735
Energy: 4.863681121634788
Energy: 4.601346671423167
Energy: 4.608075674808702
Energy: 4.869294649384586
Energy: 4.8433370624438945
Energy: 4.602309398413882
Energy: 4.787463314202659
Energy: 4.841106665136898
Energy: 4.8389266381640645
Energy: 4.612307209377346
Energy: 4.835650098139652
Energy: 4.8381693985285255
Energy: 4.610361751669713
Energy: 4.8351962144048874
Energy: 4.841174654281565
Energy: 4.838127528497408
Energy: 5.137264018193667
Energy: 4.922656560929052
Energy: 4.838310898156603
Energy: 4.6235914345034255
Energy: 4.929296484809913
Energy: 4.826722242946133
Energy: 4.840976036303234
Energy: 4.770500061132222
Energy: 4.954039418193146
Energy: 4.835070489532594
Energy: 4.603960028802807
Energy: 4.999978591876848
Energy: 4.849797788165792
Energy: 4.505292240267966
Energy: 4.846850593014017
Energy: 4.969853286617823
Energy: 4.622282367525687
Energy: 4.848314544793334
Energy: 4.99050562011268
Energy: 5.1184922707929426
Energy: 4.50669053287722
Energy: 5.077051595231113
Energy: 5.05586667536907
Energy: 4.643392982846265
Energy: 4.5088636785252
Energy: 5.0628781853456415
Energy: 4.9728177869970125
Energy: 4.62246462617675
Energy: 4.7851485925515975
Energy: 5.000790646902989
Energy: 4.849669796295558
Energy: 4.784771827822738
Energy: 5.000808809016703
Energy: 4.83521805065623
Energy: 4.8367357185486295
Energy: 4.7660789477076655
Energy: 4.925531051735766
Energy: 4.842517498753872
Energy: 4.6008398712490655
Energy: 4.817443820123189

minimum gb energy = 4.346834872350847 eV
minimum distance =  2.10299908291583 Angstroms
sigma value = 21


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

Energy: 6.58585866099121
Energy: 4.466669329858495
Energy: 4.307430051626488
Energy: 4.796950149663865
Energy: 4.655433548538975
Energy: 4.497954547620887
Energy: 4.657976495742528
Energy: 4.950278501305404
Energy: 4.439407722214822
Energy: 4.478737931272893
Energy: 4.888185648243208
Energy: 4.713776838566346
Energy: 4.485618371318022
Energy: 4.69568776698842
Energy: 4.74982448052461
Energy: 4.4380885539032375
Energy: 4.7442072453370665
Energy: 4.888481448960045
Energy: 4.42432705065613
Energy: 4.436480157088641
Energy: 4.643079517577291
Energy: 4.667002903118027
Energy: 4.332324219482744
Energy: 4.382959279429394
Energy: 4.692834845612082
Energy: 4.372193566401734
Energy: 4.381455281355901
Energy: 4.684967876412419
Energy: 4.244388766081619
Energy: 4.359694096398643
Energy: 4.714214424007909
Energy: 4.5584578193149445
Energy: 4.4359582356207286
Energy: 4.399747816994392
Energy: 4.641422593027353
Energy: 4.182559770279907
Energy: 4.434720882158738
Energy: 4.435917178737125
Energy: 4.185709862174866
Energy: 4.452673531364418
Energy: 4.434612190947667
Energy: 4.6444793564287155
Energy: 4.181572307048695
Energy: 4.4906289747394155
Energy: 4.287742250157933
Energy: 4.1833668297648146
Energy: 4.246452959166174
Energy: 4.438614575158008
Energy: 4.3324978684406314
Energy: 4.183079667790918
Energy: 4.354500636368649
Energy: 4.289650804767896
Energy: 4.181533256121255
Energy: 4.247683005064013
Energy: 4.441420766804629
Energy: 4.0622287929545
Energy: 4.18169679313669
Energy: 4.249611865039607
Energy: 4.435911770366136
Energy: 4.194128972327793
Energy: 4.184179241284726
Energy: 4.4229208253206735
Energy: 4.199837857734087
Energy: 4.180367258081365
Energy: 4.18185078678991
Energy: 4.2007933766069225
Energy: 4.338238278298076
Energy: 4.185365820937459
Energy: 4.238667176708339
Energy: 4.201082166499011
Energy: 4.184808820549487
Energy: 4.18975684449246
Energy: 4.204563752292861
Energy: 4.200011593061885
Energy: 4.1834456917033895
Energy: 4.182407360457388
Energy: 4.199730417188715
Energy: 4.203813840026954
Energy: 4.180282302721773
Energy: 4.181733312087195
Energy: 4.197896254953351
Energy: 4.185027466459052
Energy: 4.1879279131781875
Energy: 4.2040176182117905
Energy: 4.2030710516733505
Energy: 4.252522404723268
Energy: 4.181876729867554
Energy: 4.343139768705773
Energy: 4.22073616896713
Energy: 4.183225856715574
Energy: 4.183175898848522
Energy: 4.200373370385319
Energy: 4.22022694885646
Energy: 4.180120778329083
Energy: 4.1971454046604855
Energy: 4.4215117386209934
Energy: 4.181740804167469
Energy: 4.183951514751979
Energy: 4.200855625541761
Energy: 4.420646715517616
Energy: 4.242857892605714
Energy: 4.181406998887022
Energy: 4.4367961251327435
Energy: 4.35885134498557
Energy: 4.18113226205829
Energy: 4.669184861897736
Energy: 4.438086343033594
Energy: 4.24122903314921
Energy: 4.1827743579017325
Energy: 4.436110795640505
Energy: 4.465814632126701
Energy: 4.181722510055262
Energy: 4.647664130354651
Energy: 4.43856474581104
Energy: 4.247859070079934
Energy: 4.182039040840997
Energy: 4.437428693746915
Energy: 4.46416950830237
Energy: 4.183320864265235
Energy: 4.643639605867947
Energy: 4.435368073631334
Energy: 4.423832988361136
Energy: 4.6285736765947165
Energy: 4.644151163075093
Energy: 4.4370393524799665
Energy: 4.183338276809991
Energy: 4.644283640277975
Energy: 4.383533671839062
Energy: 4.304962337980483
Energy: 4.724063608255156
Energy: 4.382326640506651
Energy: 4.334717041116411
Energy: 4.40237850324971
Energy: 4.6409602070404095
Energy: 4.4118454516487855
Energy: 4.42748612529982
Energy: 4.6234039850857975
Energy: 4.715686858827856
Energy: 4.436681606891775
Energy: 4.6957045721798165
Energy: 4.642123638057748
Energy: 4.488864558303867
Energy: 4.748289253178826
Energy: 4.929766589548838
Energy: 4.45243755415953
Energy: 4.435081328187226
Energy: 4.642758397884767
Energy: 4.7535340930486365
Energy: 4.373157865511719
Energy: 4.981621322849851
Energy: 4.342302747256791
Energy: 4.355900869845074
Energy: 4.344698069668111
Energy: 4.987005378094472
Energy: 4.751643132493413
Energy: 4.372976708302505
Energy: 4.965358773352482
Energy: 4.811461716136065
Energy: 4.355134674533959
Energy: 4.381457804138508
Energy: 4.953553389576279
Energy: 4.748203531739154
Energy: 4.4353584345919215
Energy: 4.7463937797862075
Energy: 4.8856159290466
Energy: 4.453964664357577
Energy: 4.477357326678026
Energy: 4.642605788389572
Energy: 4.953245822321571
Energy: 4.67450776415444
Energy: 4.4609187823114524
Energy: 4.932076873325284
Energy: 4.31932631271176
Energy: 4.489185469641945
Energy: 4.695342773905909

minimum gb energy = 4.0622287929545 eV
minimum distance =  2.13676627823541 Angstroms
sigma value = 113


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

Energy: 6.568410668191457
Energy: 4.16583945587076
Energy: 3.957668452542921
Energy: 4.542203755457288
Energy: 4.436813385487631
Energy: 4.28261081421624
Energy: 4.310749756217668
Energy: 4.471107117567119
Energy: 4.134423093540119
Energy: 4.149591256245341
Energy: 4.194082129691435
Energy: 4.02756496205013
Energy: 4.186587324962222
Energy: 4.319786948777405
Energy: 3.9938392581189834
Energy: 4.174664989163344
Energy: 4.340026705840147
Energy: 4.201845038179826
Energy: 3.999659159922963
Energy: 4.172104285906587
Energy: 4.303140789252813
Energy: 3.992415570382762
Energy: 4.138460400203813
Energy: 4.113360882122942
Energy: 3.878023277601272
Energy: 3.978743325434437
Energy: 4.112758459138212
Energy: 4.29818729064374
Energy: 3.835406869276459
Energy: 4.131815553627085
Energy: 4.189440187667074
Energy: 4.196396799341505
Energy: 4.065224845749265
Energy: 4.111000861132648
Energy: 4.292703027323179
Energy: 4.0231138980667005
Energy: 4.169169333992612
Energy: 4.009187259334262
Energy: 4.025196064324639
Energy: 4.038667168720801
Energy: 4.15169101590147
Energy: 4.180597052065209
Energy: 4.016833836060847
Energy: 4.112823713297596
Energy: 4.066245473472786
Energy: 3.884523245649041
Energy: 4.017737284137168
Energy: 4.145537631624199
Energy: 3.8890459745844885
Energy: 4.016896246623118
Energy: 3.9605276927123025
Energy: 3.9747716598601235
Energy: 3.909374799838021
Energy: 4.018107547532293
Energy: 4.147347950904474
Energy: 3.884357191038731
Energy: 4.022315508295506
Energy: 4.01146402874773
Energy: 3.971529854830953
Energy: 3.8933352877885548
Energy: 4.037008072423207
Energy: 3.955751004450261
Energy: 3.9162810399372345
Energy: 3.8238494239140346
Energy: 3.946288440500545
Energy: 3.8191202980979995
Energy: 3.9161186566454464
Energy: 3.938470517808247
Energy: 3.882020704508972
Energy: 3.909298819526954
Energy: 3.8236576502128896
Energy: 3.9509312027908
Energy: 3.862565031562131
Energy: 3.8365613026879206
Energy: 3.8380704500789795
Energy: 3.8808910298161523
Energy: 3.9629511697173787
Energy: 3.9444681452898243
Energy: 3.79678146050938
Energy: 3.8636982931121704
Energy: 3.958583507064342
Energy: 4.053742671269163
Energy: 3.889331157385573
Energy: 3.8243424324065067
Energy: 3.922157981851263
Energy: 3.7904304727377323
Energy: 3.774431763557915
Energy: 3.7495821099771462
Energy: 3.805835631475024
Energy: 3.7798237630567675
Energy: 3.812705022005446
Energy: 3.893352190144132
Energy: 3.7175118541544045
Energy: 3.7734109918615943
Energy: 3.814057640954094
Energy: 3.8248817401491517
Energy: 3.7285079464488176
Energy: 3.764131137578936
Energy: 3.732385227564238
Energy: 3.7625183913130162
Energy: 3.7936812839783083
Energy: 3.813523614733192
Energy: 3.8078220793341915
Energy: 3.8457316855563533
Energy: 3.7677880214813126
Energy: 3.7214555572267396
Energy: 3.7408052831013214
Energy: 3.7498458064644624
Energy: 3.7408475927331657
Energy: 3.7443688912041706
Energy: 3.7948800648192393
Energy: 3.7096685772331917
Energy: 3.7167941535136735
Energy: 3.7520287309558746
Energy: 3.7499278883465883
Energy: 3.7326432672240877
Energy: 3.732329737396542
Energy: 3.7455228848377673
Energy: 3.7648685038096015
Energy: 3.718128358411383
Energy: 3.7171765576866846
Energy: 3.7564420500643734
Energy: 3.7080835404504557
Energy: 3.7463824244467987
Energy: 3.791748038193011
Energy: 3.7801689017861664
Energy: 3.665352393578947
Energy: 3.6822316828733612
Energy: 3.7931196332556603
Energy: 3.673273192374414
Energy: 3.745016186210965
Energy: 3.745084246261591
Energy: 3.715170187293004
Energy: 3.6680762969498746
Energy: 3.69297525860377
Energy: 3.7176416219521
Energy: 3.686312785549672
Energy: 3.665224032081406
Energy: 3.779283589557107
Energy: 3.737962915753754
Energy: 3.7089495458589594
Energy: 3.6817553494986304
Energy: 3.7204172847617447
Energy: 3.7394410071949027
Energy: 3.776856075033928
Energy: 3.7780704906725258
Energy: 3.7470385471413223
Energy: 3.749500400748143
Energy: 3.735844703531947
Energy: 3.657026533635726
Energy: 3.743727934325749
Energy: 3.7220829220328757
Energy: 3.786112139883288
Energy: 3.725742334830119
Energy: 3.7506579969042297
Energy: 3.7090900738566033
Energy: 3.658397959746994
Energy: 3.7106217225215863
Energy: 3.8392102598496063
Energy: 3.6709137736868676
Energy: 3.678121671746337
Energy: 3.7562470510433084
Energy: 3.704957215113688
Energy: 3.6562516705215335
Energy: 3.7142039414661845
Energy: 3.799662142954714
Energy: 3.7068343269460704
Energy: 3.6759287458700096
Energy: 3.8244816689915546
Energy: 3.746319397242916
Energy: 3.7080088303405954
Energy: 3.710915508477956
Energy: 3.801259085560727
Energy: 3.746464535304255
Energy: 3.707739194391579
Energy: 3.763606473471802
Energy: 3.7462333739600706
Energy: 3.696684028848744
Energy: 3.7621116219289874
Energy: 3.796686190294575
Energy: 3.79156363220204
Energy: 3.6984518718413963
Energy: 3.760506175811774
Energy: 3.7442994168396604
Energy: 3.740430533019678
Energy: 3.767962028586458
Energy: 3.7562409086293442
Energy: 3.6991391607668205
Energy: 3.6966934266343614
Energy: 3.7913023467634965
Energy: 3.800585681107438
Energy: 3.8139799454272345
Energy: 3.7638421445960306
Energy: 3.8391954993552613
Energy: 3.8081087983779005
Energy: 3.744665894267245
Energy: 3.7665073152381967
Energy: 3.77705368372024
Energy: 3.8295565172814867
Energy: 3.767462406489074
Energy: 3.7718959626859063
Energy: 3.7904814854787787
Energy: 3.9119891062528422
Energy: 3.774091832175357
Energy: 3.792173208240461
Energy: 3.8590929598108836
Energy: 3.82792578272125
Energy: 3.771523492288633
Energy: 3.801020639364317
Energy: 3.7820906105117666
Energy: 3.835078856278625
Energy: 3.829660747993397
Energy: 4.0112754703988065
Energy: 3.961886587845265
Energy: 3.8756621314384185
Energy: 3.928835772740663
Energy: 3.917115382834748
Energy: 3.9325350642510344
Energy: 3.8281183285832987
Energy: 3.8346498172595322
Energy: 3.922502507114815
Energy: 3.8618810582427234
Energy: 3.91337399843929
Energy: 3.833199918562711
Energy: 3.953129491506647
Energy: 3.839019529034482
Energy: 3.9422294039922012
Energy: 3.927437609580381
Energy: 3.862986926956813
Energy: 3.940462710669715
Energy: 3.9189544148334785
Energy: 3.940252841033854
Energy: 3.9529141105089107
Energy: 4.010125142020074
Energy: 3.8927550824441384
Energy: 4.077231917858361
Energy: 4.054490069905993
Energy: 4.047610884213885
Energy: 3.8349094108610813
Energy: 4.14482377003352
Energy: 4.0077837284636075
Energy: 3.864062749456001
Energy: 3.9707258787075106
Energy: 4.024740806806349
Energy: 4.024765975137209
Energy: 3.9662011724552384
Energy: 4.144196348519723
Energy: 4.00697883104763
Energy: 3.876594253485759
Energy: 4.010208064377187
Energy: 4.025616781906387
Energy: 4.025106392076621
Energy: 4.00340205698579
Energy: 4.146597209523968
Energy: 4.031784361706709
Energy: 3.999043897142084
Energy: 4.012801186756644
Energy: 4.046125149285386
Energy: 4.044746445244617
Energy: 4.304483491613318
Energy: 4.126815294038515
Energy: 3.9719101770112277
Energy: 4.131050525191724
Energy: 4.131384749387654
Energy: 4.149686801234915
Energy: 4.0421119005758115
Energy: 4.304605542126096
Energy: 4.104846136445402
Energy: 3.998921115584357
Energy: 4.05836403665775
Energy: 4.129842306917025
Energy: 3.995977828554187
Energy: 3.8936894951308054
Energy: 4.3038943428642975
Energy: 4.162877477301049
Energy: 4.003929823362808
Energy: 4.31037502111532
Energy: 4.318152634591854
Energy: 4.175858027077536
Energy: 3.9915099435249513
Energy: 4.268089958981356
Energy: 4.1188660710052565
Energy: 4.061083228723819
Energy: 4.199172323269459
Energy: 4.160656418242737
Energy: 4.151601247866021
Energy: 4.479340441010087
Energy: 3.964565914269728
Energy: 4.127361430818972
Energy: 4.14625325385234
Energy: 3.9652729350673135
Energy: 3.978570745846247
Energy: 4.144115519112467
Energy: 4.046179870223671
Energy: 4.321176084568873
Energy: 4.178419154734865
Energy: 4.315875325453315
Energy: 4.199611102226175
Energy: 4.161403685051285
Energy: 4.18942660944597
Energy: 4.15830298079091
Energy: 4.3052949092527255
Energy: 4.161286000672999
Energy: 4.149077918020632
Energy: 4.200209958616111
Energy: 4.3169539517508735
Energy: 4.204510312876296
Energy: 4.324297405998744
Energy: 4.479240552405431
Energy: 4.097820532252165
Energy: 3.9981841460424876
Energy: 4.292453839216888
Energy: 4.119546773355679
Energy: 3.9979926241031816
Energy: 3.9662788000008864

minimum gb energy = 3.6562516705215335 eV
minimum distance =  2.15515619949304 Angstroms
sigma value = 365


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

Energy: 4.401086178013373
Energy: 4.423380453337542
Energy: 4.427902536975189
Energy: 4.425956311405182
Energy: 4.421022065074025
Energy: 4.427612256306903
Energy: 4.426972078323682
Energy: 3.9179337922080464
Energy: 1.607974436194902
Energy: 1.6125516347308493
Energy: 1.6155486648847388
Energy: 1.6120477725826465
Energy: 1.6138780808966018
Energy: 1.6097418575695612
Energy: 1.6113495054423268
Energy: 1.6082514164640846
Energy: 1.6108066826289589
Energy: 1.6115406475676286
Energy: 1.6112484734976473
Energy: 1.6120884514773843
Energy: 1.6095387708142443
Energy: 3.913888936208927
Energy: 3.9151347454702305
Energy: 4.40723672386117
Energy: 4.40256785945852
Energy: 4.400881469376992
Energy: 4.407503332926502
Energy: 4.4093153890744485
Energy: 3.9169728779606503
Energy: 3.9188623887168337
Energy: 3.918560827818301
Energy: 3.9165640424003607
Energy: 4.4047446434464534
Energy: 3.919473594231649
Energy: 3.9195555015288694
Energy: 1.6090955068239021
Energy: 1.609318408811592
Energy: 1.6112164800348483
Energy: 1.6104860696201009
Energy: 1.6084007910215816
Energy: 1.6126137080955925
Energy: 1.6114366328454888
Energy: 3.9145269518507315
Energy: 3.917620559183321
Energy: 4.408363922746819
Energy: 4.404584024510287
Energy: 4.403596662072289
Energy: 4.408862041190256
Energy: 3.9201288410065938
Energy: 3.9116461669028677
Energy: 3.917948690532751
Energy: 4.408084654101209
Energy: 4.406524025873072
Energy: 4.403956896658381
Energy: 4.40590963083457
Energy: 3.917424215134669
Energy: 1.6093345773869918
Energy: 1.6086740433486608
Energy: 1.612228388718945
Energy: 1.6132435966133953
Energy: 1.6091131939746939
Energy: 1.611323418563159
Energy: 1.609658546076767
Energy: 3.9194549854500393
Energy: 3.918201469733747
Energy: 3.921625882385927
Energy: 3.9172136221980103
Energy: 3.915152466913112
Energy: 3.9190728794408933
Energy: 3.9207753683644677
Energy: 3.916038242639731
Energy: 3.9175986738658786
Energy: 4.407894888729967
Energy: 4.402771435875944
Energy: 4.400517475298778
Energy: 4.405707106169956
Energy: 4.410503791511679
Energy: 1.6111847668571393
Energy: 1.6082554781005558
Energy: 1.6113804181433296
Energy: 1.6130201604149426
Energy: 1.6098177887643739
Energy: 1.612070616184269
Energy: 1.6094802357727036
Energy: 1.6207019281860964
Energy: 1.6078570615284546
Energy: 1.6115445551149385
Energy: 1.6143189018299406
Energy: 1.6117199280309487
Energy: 1.613534918850304
Energy: 1.6093805102815224
Energy: 3.9135209708304832
Energy: 3.9157134262669127
Energy: 4.407596193677313
Energy: 4.404579444104853
Energy: 4.407016669585001
Energy: 4.407424029010583
Energy: 4.410544660540269
Energy: 3.918267185284877
Energy: 3.918351717845462
Energy: 3.920173202416589
Energy: 1.616449528265384
Energy: 1.614158767726018
Energy: 1.6149853526037714
Energy: 3.9207261793600385
Energy: 1.610716707519704
Energy: 1.607991655147349
Energy: 1.610637534069076
Energy: 1.6109618153742824
Energy: 1.61119176616728
Energy: 1.6119343452156587
Energy: 1.6097624967161646
Energy: 3.9150375842249208
Energy: 3.9160078118249944
Energy: 4.406425943499822
Energy: 4.4031924432692024
Energy: 4.404356667965768
Energy: 4.406038547967851
Energy: 4.410568938742276
Energy: 3.92037388180428
Energy: 3.918510937925562
Energy: 3.9202550622996624
Energy: 4.408358690749823
Energy: 4.40614257604138
Energy: 3.920716627774165
Energy: 3.919652374829956
Energy: 1.6212333822954539
Energy: 1.6100139139504357
Energy: 1.611471660254306
Energy: 1.6109622460235138
Energy: 1.6114577865412671
Energy: 1.6080713267922213
Energy: 1.6111534463061843
Energy: 3.913993949780157
Energy: 3.91884721433085
Energy: 3.920685849825255
Energy: 4.406205356583167
Energy: 4.405029936906573
Energy: 4.40885654221395
Energy: 3.920118328266966

minimum gb energy = 1.6078570615284546 eV
minimum distance =  2.22767371606669 Angstroms
sigma value = 23