Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.868830233812332
cohesive_energy=4.130745590537839
mass=55.845
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=[1.9559532565535397e-19, 2.7100016675793e-19, 3.28420575143856e-19, 3.7546688982463196e-19, 4.1539954025044794e-19, 4.49724572457264e-19, 4.79576327501952e-19, 5.057494849949759e-19, 5.2891856129925e-19, 5.49365539502358e-19, 5.674156614610019e-19, 5.833493080861319e-19, 5.97488516881182e-19, 6.098813531451719e-19, 6.20673614951796e-19, 6.299854655486039e-19, 6.379258529467079e-19, 6.4458770339088e-19, 6.500511257128199e-19, 6.543882178610579e-19, 6.576742821373919e-19, 6.599782121370839e-19, 6.61325642686278e-19, 6.61766241260628e-19, 6.61291996976964e-19, 6.597555095849579e-19, 6.570045723043799e-19, 6.5287896747183e-19, 6.47061464113776e-19, 6.39222013843614e-19, 6.289152115570919e-19, 6.15657199910742e-19, 5.988519691967159e-19, 5.77764120340008e-19, 5.5158936067035e-19, 5.19102025062732e-19, 4.78863358899822e-19, 4.2916864624304393e-19, 3.6771876362260793e-19, 2.91344605656462e-19, 1.9603592422970398e-19, 7.645795180410419e-20, -7.4571709252896e-20, -2.6681848574319e-19, -5.14745706794886e-19, -8.38487926167462e-19, -1.2681676667567519e-18, -1.8511548829236e-18, -2.6616159332324998e-18, -3.824539821255059e-18, -5.562581033818259e-18, -8.304081494021999e-18, -1.296407632107636e-17, -2.1799856152857597e-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: 0.015490022542419333
Energy: 1.4100036548355717
Energy: 1.1328574241816858
Energy: 0.01633291782615067
Energy: 0.016082076169626064
Energy: 1.4103500899609196
Energy: 0.01654362354477694
Energy: 0.1861585925722218
Energy: 0.18768845557218566
Energy: 0.2123622553024755
Energy: 0.18650029100820478
Energy: 0.18820844554854826
Energy: 0.19379865396172327
Energy: 0.18469253731390545
Energy: 0.18450506089204963
Energy: 0.18796430351935076
Energy: 0.18757566532426134
Energy: 0.18555825223007874
Energy: 0.22485781185675216
Energy: 0.18824676342749544
Energy: 0.18425182602078938
Energy: 0.1846607936957787
Energy: 0.23055463652469577
Energy: 0.1879704790892786
Energy: 0.18523962667932362
Energy: 0.2235657137270555
Energy: 0.19415969881318412
Energy: 0.06054319602379646
Energy: 0.18670253922906105
Energy: 0.18756596406651985
Energy: 0.18785783420081
Energy: 0.1865088649109965
Energy: 0.2251723806097369
Energy: 0.19442687667077668
Energy: 0.18480574894418214
Energy: 0.016044073052462523
Energy: 0.1885714868045898
Energy: 0.21162595388285632
Energy: 0.018789867828875827
Energy: 0.0198339201912811
Energy: 0.19299299437669346
Energy: 0.184074917535546

minimum gb energy = 0.015490022542419333 eV
minimum distance =  2.45595318048434 Angstroms
sigma value = 5


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

Energy: 1.514239388338864
Energy: 1.046916683306711
Energy: 1.032824865519414
Energy: 0.8738372861137254
Energy: 1.0196912928335242
Energy: 0.9483450109128755
Energy: 1.079874199805923
Energy: 0.9441979237436763
Energy: 0.636476188587465
Energy: 0.5033470757954365
Energy: 0.7601169524228507
Energy: 0.4561719791731924
Energy: 0.5396125604609349
Energy: 0.8778371045930452
Energy: 0.945309455318088
Energy: 0.6392113135046686
Energy: 0.9365386019509432
Energy: 0.9476145865351332
Energy: 0.926932261761103
Energy: 0.5646592250439484
Energy: 0.45346834463925084
Energy: 0.5832848553612997
Energy: 0.7284480982658992
Energy: 0.8974524351418828
Energy: 0.9667873347532883
Energy: 0.9078135285835344
Energy: 0.909632074925185
Energy: 0.4842790362198258
Energy: 0.8692795693922606
Energy: 0.5287644043596545
Energy: 0.6558205024585807
Energy: 0.8412125243152863
Energy: 0.7077737987871875
Energy: 0.3591325207097537
Energy: 0.8190631946746753
Energy: 0.5432545632146567
Energy: 0.9162389300394397
Energy: 0.8714113527601286
Energy: 0.9026343377673137
Energy: 0.9398875151381977
Energy: 0.8596154876462229
Energy: 0.6016536990590621
Energy: 0.6310983754635051
Energy: 0.915434368556712
Energy: 0.8780022495455456
Energy: 0.2637392916160391
Energy: 0.9223321643742574
Energy: 0.9563041283684457
Energy: 0.9426947514139493
Energy: 0.6823586882236834
Energy: 0.93676397352091
Energy: 0.879572538532185
Energy: 0.45041593976679817
Energy: 0.6512807438428758
Energy: 0.8645387981904303
Energy: 0.8868253067840034
Energy: 1.0370218718112272
Energy: 0.7794749070940122
Energy: 0.8851288330979209
Energy: 1.0180496761768179
Energy: 0.8306101322905491
Energy: 0.7972320092710101
Energy: 0.5129030777090448
Energy: 0.9961794536896296
Energy: 1.0695779806351147
Energy: 1.074330002917315
Energy: 1.0732335207892174
Energy: 1.0905440275572285
Energy: 1.0704985661125175
Energy: 0.6480210189669858
Energy: 0.8114715601388295
Energy: 0.9427266405111941
Energy: 0.48371973260711276
Energy: 0.4644202881317046
Energy: 1.0453920860758443
Energy: 0.9828470868647134
Energy: 0.9275537427974819
Energy: 0.6467379993871717
Energy: 0.9261223238846529
Energy: 0.9782948202747503
Energy: 0.8247494166937801
Energy: 0.910647700714644
Energy: 0.9564518700815132
Energy: 0.8859610972555817
Energy: 1.011648343076265
Energy: 0.8941536185861437
Energy: 0.8892283651995868
Energy: 0.8343863714109565
Energy: 0.9866488196210002
Energy: 0.8619158436693011
Energy: 0.9457611750463386
Energy: 0.8748293318230236
Energy: 0.584175315116947
Energy: 0.8438202782103837
Energy: 0.6545920695758617
Energy: 0.8656672505751164
Energy: 0.839994248054035
Energy: 0.731700413017734
Energy: 0.9535655331522894
Energy: 0.5967640427825346
Energy: 0.8809844101150636
Energy: 0.8930098703906639
Energy: 0.8996446667316167
Energy: 0.5328144247121235
Energy: 0.8726833291077978
Energy: 0.694721804471079
Energy: 0.5914600122688347
Energy: 0.4974056815885912
Energy: 0.8808830288003434
Energy: 0.9103429832169474
Energy: 0.41723191237429796
Energy: 0.6829623305592879
Energy: 0.7016977541518775
Energy: 0.804061780970223
Energy: 0.5161381404312325
Energy: 0.5906333159160303
Energy: 0.770453715813539
Energy: 0.6195316852605653
Energy: 0.6438180593011235
Energy: 1.0093005673098612
Energy: 1.1603910091360163
Energy: 0.4398309596760734
Energy: 1.074372103683728
Energy: 1.0490483627308627
Energy: 1.0852364552166027
Energy: 0.9211570231551144
Energy: 0.7160626111775726
Energy: 0.9056633643188878
Energy: 0.8489694931573758
Energy: 0.774014039681437
Energy: 1.090371449979938
Energy: 0.7762402203930077
Energy: 0.8687418714242269
Energy: 0.8801948804721265
Energy: 0.5008131588449661
Energy: 0.3808161520485582
Energy: 0.7348621368081584
Energy: 0.5103222007607472
Energy: -0.41970758483575504
Energy: 0.7994796406974644
Energy: 0.9515179438524128
Energy: 0.6305917067229487
Energy: 0.8796463740077144
Energy: 0.7204186168231863
Energy: 0.761092127495895
Energy: 0.6994888678239741
Energy: 1.0230769838779377
Energy: 0.8489838083516557
Energy: 0.38519717667470865
Energy: 0.9657989773447779
Energy: 0.8908898540080893
Energy: 0.8904706900647906
Energy: 0.9283792389265393
Energy: 0.8748512565888855
Energy: 0.7447918768989639
Energy: 0.8896207619956623
Energy: 0.8467883394819403
Energy: 0.855084053403346
Energy: 0.8040271348649792
Energy: 0.6097512036035763
Energy: 0.735674629222818
Energy: 0.5757307327150312
Energy: 0.9360564290212225
Energy: 0.9023444766300357
Energy: 0.869912573990519
Energy: 0.8435431711018463
Energy: 0.9056643826903287
Energy: 0.8493380206021737
Energy: 0.8701064794616454
Energy: 0.8139235287516026
Energy: 0.8620113864230605
Energy: 0.5573777570815178
Energy: 0.8076511413794918
Energy: 0.8902702200429037
Energy: 0.594876106170224
Energy: 0.8868053731476392
Energy: 0.880934442244081
Energy: 0.9967331136359994
Energy: 0.8800423212086873
Energy: 0.6321084425643911
Energy: 0.966431145501567
Energy: 1.0624230680567317
Energy: 1.0298700270760361
Energy: 1.0366769579965316
Energy: 0.6849188176739157
Energy: 1.020442704030946
Energy: 0.9804809540768766
Energy: 0.7129414970229665
Energy: 1.0534529141964288
Energy: 0.9658872246504324
Energy: 0.9356060071048091
Energy: 0.8451800052759655
Energy: 0.8767791349011502
Energy: 0.6673018277688256
Energy: 0.6363967997523031
Energy: 0.636261436752444
Energy: 0.5769369254364561
Energy: 0.9152067879768764
Energy: 0.8797207459166378
Energy: 0.8222170505602153
Energy: 1.0253109683456856
Energy: 0.8776874709330617
Energy: 0.7031550614364409
Energy: 0.9084364426302993
Energy: 0.6875177975233209
Energy: 0.9848629105054727
Energy: 0.612805260162067
Energy: 0.6939868149797422
Energy: 0.8836940960764714
Energy: 1.0208428737495845
Energy: 1.0887970629959474
Energy: 0.6112951112702151
Energy: 0.6407114680463201
Energy: 0.590528542734247
Energy: 0.5671240218189832
Energy: 0.9350042346953712
Energy: 0.8904013117429077
Energy: 0.8260883452245296
Energy: 0.5165337234712291
Energy: 0.6518619315855503
Energy: 0.88891310425773
Energy: 0.6869714708934118
Energy: 0.5666550700413548
Energy: 0.8934849363408024
Energy: 0.4991914183564642
Energy: 0.8560238320860196
Energy: 0.848964896145642
Energy: 0.8981175346879595
Energy: 0.8442524656472331
Energy: 0.8731247621168343
Energy: 0.844067097436766
Energy: 0.8937313070851671
Energy: 0.8720225923763093
Energy: 0.7979515147078123
Energy: 0.8982699818757867
Energy: 0.9173038673661502
Energy: 0.8307532939637977
Energy: 0.5561366438327334
Energy: 0.9914339114121457
Energy: 0.8886678055923348
Energy: 1.0192113408722514
Energy: 0.8688926370123705
Energy: 0.8012350697324577
Energy: 0.928500039172289
Energy: 0.9827698819178162
Energy: 0.6718766890605502
Energy: 0.9068233661821166
Energy: 0.9968782157429709
Energy: 0.7009430791755662
Energy: 0.7956091258299107
Energy: 0.9003480486380656
Energy: 0.9726462065448501
Energy: 0.7646185485083165
Energy: 0.9605734842870217
Energy: 0.89291441597325
Energy: 0.7082431555359642
Energy: 0.6437373982301935
Energy: 0.8849781710999177
Energy: 0.7315298245990465
Energy: 1.09077998372826
Energy: 1.0094581497440764
Energy: 0.9845479967449509
Energy: 0.8947179662930071
Energy: 0.810762889793611
Energy: 1.0792116279880466
Energy: 1.1081363275633618
Energy: 1.0974559709434144
Energy: 1.0159926786248084
Energy: 1.0764910227901394
Energy: 1.0860058649524051
Energy: 1.0715883430171473
Energy: 1.07621190537864
Energy: 1.045338646219226
Energy: 0.5520475354970246
Energy: 0.20563822023223718
Energy: 0.8768164992727824
Energy: 0.6460193628803904
Energy: 0.5676930540015098
Energy: 0.5793403794427822
Energy: 0.8739833084198613
Energy: 0.881575441107166
Energy: 0.8987505539016509
Energy: 0.7328560212805781
Energy: 0.42876963048538724
Energy: 0.9039217582574146
Energy: 0.8858652533106715
Energy: 0.8386371766515727
Energy: 0.5803929115188311
Energy: 0.9087756144184163
Energy: 0.8605625136959586
Energy: 0.5031174656528119
Energy: 0.8990890978665048
Energy: 0.8980979890406299
Energy: 0.878293524323574
Energy: 0.6909944427309012
Energy: 0.8692007877921959
Energy: 1.011371512383168
Energy: 0.8405093894572886
Energy: 0.8181362672497371
Energy: 0.9126528275320067
Energy: 0.7840643884216811
Energy: 1.067904386482783
Energy: 1.0029428711221795
Energy: 0.8324147179393564
Energy: 0.9156345891030649
Energy: 0.9891492567521052
Energy: 0.9233787346305227
Energy: 1.0190611847074207
Energy: 0.9611826622520632
Energy: 0.9878777192066915
Energy: 0.869621919297348
Energy: 0.9551557017526895
Energy: 0.9180686443257465
Energy: 0.6177476190395481
Energy: 0.5926698381901432
Energy: 0.9754685817063322
Energy: 0.9022023504331312
Energy: 0.4900450568358255
Energy: 1.0757400601516494
Energy: 1.0396991598758527
Energy: 1.038801615140488
Energy: 0.5313609693986867
Energy: 1.0628714498346883
Energy: 0.9966348893427676
Energy: 1.0088257375777443
Energy: 1.0757534697833468
Energy: 1.0735695994098327
Energy: 0.9887271650269375
Energy: 0.9679670078087718

minimum gb energy = -0.41970758483575504 eV
minimum distance =  2.32042567141832 Angstroms
sigma value = 401


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

Energy: 1.28839859959741
Energy: 0.8982911794574064
Energy: 0.8282496027241326
Energy: 0.6421017248173647
Energy: 0.7616275936229848
Energy: 1.2243003977989408
Energy: 0.4755831267190115
Energy: 0.4890964039086736
Energy: 0.674014163685201
Energy: 0.022383678800289374
Energy: 0.5390308152495543
Energy: 0.7712666266235353
Energy: 0.022507557542406197
Energy: 0.8801125330031417
Energy: 0.694599343353243
Energy: 0.5790364216062925
Energy: 0.7053561677671417
Energy: 1.0588731758796355
Energy: 0.7328330551195774
Energy: 0.6134567597643844
Energy: 1.0620641600604896
Energy: 0.7591828178373966
Energy: 0.6506564873250579
Energy: 0.5739250866409169
Energy: 0.7505469620699717
Energy: 0.697851057237333
Energy: 0.8941607529819438
Energy: 0.8950446459711268
Energy: 0.7085233428474208
Energy: 0.6380673066638357
Energy: 0.7653979774535352
Energy: 0.6856041447014192
Energy: 0.6992602598910609
Energy: 0.7383787909815921
Energy: 0.7910701306096277
Energy: 0.8221540183235689
Energy: 0.6666202720957114
Energy: 1.0822687756720382
Energy: 0.7159166654867101
Energy: 0.9926925280866231
Energy: 0.7295085808487212
Energy: 0.6750948538309588
Energy: 0.8118264703427904
Energy: 1.044749009224639
Energy: 0.7840312997929026
Energy: 0.8250214332203888
Energy: 0.9889249026259441
Energy: 0.7887363723399662
Energy: 1.0752544152154364
Energy: 0.798897332326405
Energy: 1.059677436771902
Energy: 1.1248104299001132
Energy: 0.8359123592176292
Energy: 0.7292533419347772
Energy: 1.0444474993648236
Energy: 1.1557677327274687
Energy: 0.928607878920924
Energy: 0.7021230312783268
Energy: 0.885642235085553
Energy: 0.9085242889937687
Energy: 0.7813750985266952
Energy: 0.9498617567038018
Energy: 0.6269019716172727
Energy: 0.6890851046515217
Energy: 0.947160445012471
Energy: 0.48928486682466066
Energy: 0.6107937062134967
Energy: 0.7035159329823999
Energy: 0.6246749354134256
Energy: 0.5101471509947526
Energy: 0.924795323061697
Energy: 0.8439023527086605
Energy: 1.0752829206363468
Energy: 1.17396160830908
Energy: 0.9459487892145461
Energy: 0.7014845914508241
Energy: 1.1786026719710583
Energy: 0.7821270958723321
Energy: 1.0288389149983819
Energy: 1.1113023142699248
Energy: 0.8240038675480812
Energy: 0.99386020608635
Energy: 1.076401630541078
Energy: 0.5943180736966285
Energy: 0.834826494914314
Energy: 0.6967784392464413
Energy: 1.1310426335848298
Energy: 1.0566562426905302
Energy: 1.0018387135326692
Energy: 1.1261573357282297
Energy: 1.0310662932136196
Energy: 0.9331231589422979
Energy: 0.6720143362719746
Energy: 0.6955091180793094
Energy: 0.5648241761780729
Energy: 0.5338786683578012
Energy: 0.7179530864805235
Energy: 0.5716352982095987
Energy: 0.9180059623031416
Energy: 0.7430127546331033
Energy: 0.7910643735904425
Energy: 0.9130058788520355
Energy: 0.9451236572266287
Energy: 0.6817900352192738
Energy: 0.9461749652920569
Energy: 0.9248171287788862
Energy: 0.6980464830605972
Energy: 0.718107697025913
Energy: 0.9536605165157298
Energy: 0.6456777089443259
Energy: 0.7528192418077707
Energy: 0.8282328793964785
Energy: 0.9164658467731966
Energy: 0.9422231828972679
Energy: 0.3620748387517131
Energy: 0.9094413102781456
Energy: 0.6385228052550836
Energy: 0.4480194370347309
Energy: 0.8970905815609603
Energy: 0.9402288405507575
Energy: 0.5888613350599273
Energy: 1.0118915199548226
Energy: 0.9425468593183367
Energy: 0.7404608039701944
Energy: 0.7838286223889944
Energy: 1.0698936971674713
Energy: 0.9448413936625898
Energy: 0.7233739618758995
Energy: 1.0031225050419614
Energy: 0.9456174992969435
Energy: 0.7193759771563231
Energy: 0.6988224511028088
Energy: 0.9169263486009809
Energy: 0.9116684755195286
Energy: 0.6733218207587348
Energy: -0.03113580024025332
Energy: 0.904284066664638
Energy: 0.9156156217603447
Energy: 0.05920407467135006
Energy: 0.9348598489194744
Energy: 0.797830201889289
Energy: 0.6622694150798193
Energy: 0.9081798722377954
Energy: 0.7986389046090598
Energy: 0.5473629059524913
Energy: 0.10912655225467571
Energy: 0.6165738605778255
Energy: 0.7968379484628404
Energy: 0.672065899505439
Energy: -0.03191289442285667
Energy: 0.7979935923778732
Energy: 0.7986059017615434
Energy: 0.8921702034343579
Energy: 0.6827190414420473
Energy: 0.9428145802413662
Energy: 0.699396232541377
Energy: 1.0077338571692054
Energy: 0.9392798654265172
Energy: 0.9469018504717597
Energy: -0.026421827873594688
Energy: 0.7596942922170419
Energy: 0.9820105382473047
Energy: 0.7148177281477434
Energy: 0.9819387616327849
Energy: 0.9440842240353158
Energy: 0.9720346103351654
Energy: 0.9286796988885415
Energy: 0.9146532428147612
Energy: 0.9582472603732607
Energy: 0.9636529056158745
Energy: 0.9463594249394645
Energy: 0.6413521947043771
Energy: 0.6590194656404321
Energy: 0.44926707773659
Energy: 0.7342259660471828
Energy: 0.9656388339113993
Energy: 0.9962155189682513
Energy: 1.0426669074110486
Energy: 0.7513474446172699
Energy: 0.6972993384283864
Energy: 0.717947543062672
Energy: 0.7781697402228406
Energy: 0.8363951036504397
Energy: 0.9906763691330148
Energy: 1.0204181107755932
Energy: 0.8163766479817542
Energy: 1.000543438010953
Energy: 1.0150350705377855
Energy: 0.7965285103877566
Energy: 1.1515407171423813
Energy: 0.995976804971721
Energy: 1.1124859947693038
Energy: 0.7643060509738291
Energy: 0.9911413914369135
Energy: 0.7235484322833896
Energy: 0.7946643343106218
Energy: 0.601593742861164
Energy: 0.7338902898241462
Energy: 0.4400528378834223
Energy: 0.9732433590170457
Energy: 0.41876390783166817
Energy: 0.9238374359214246
Energy: 1.0378117494208603
Energy: 0.8631527254545612
Energy: 0.6851318740497936
Energy: 0.6128907596874708
Energy: 1.0619197643971716
Energy: 0.6999224659443677
Energy: 0.4875923465327032
Energy: 0.7541697351359905
Energy: 0.6534365982868642
Energy: 0.6792296931107418
Energy: 0.9455866046241203
Energy: 0.6375988390648946
Energy: 0.634210431498155
Energy: 0.8719030137764654
Energy: 0.622961903988054
Energy: 0.7391714873016715
Energy: 0.9941557227083058
Energy: 0.8288853886313159
Energy: 0.7278566382702933
Energy: 0.9857373280730943
Energy: 1.0033814972383719
Energy: 0.7048361205839108
Energy: 0.5274283788859203
Energy: 0.4716660445810945
Energy: 0.7912976553395591
Energy: 0.7968972662953017
Energy: 0.6983976632634326
Energy: 1.089549379280973
Energy: 1.04064535618291
Energy: 0.8064149928632148
Energy: 0.7421580633728094
Energy: 1.1102463554721749
Energy: 0.705049794526165
Energy: 0.9956782116362178
Energy: 0.735281871183597
Energy: 0.6709600569798456
Energy: 0.6729273809442796
Energy: 0.6346670224468963
Energy: 0.7616852466944661
Energy: 0.5942951637267189
Energy: 0.9767821556479466
Energy: 0.883495538746502
Energy: 0.6673678079185383
Energy: 0.7487885907011398
Energy: 0.6780232028814869
Energy: 0.37151067916639297
Energy: 0.8402316771380209
Energy: 0.660330124646287
Energy: 0.5194399529114933
Energy: 0.508901663179787
Energy: 0.694442366563501
Energy: 0.6465032562772716
Energy: 0.9413314186750272
Energy: 0.9090515932814088
Energy: 0.6829877521256328
Energy: 0.7576350769809442
Energy: 0.9151732138456636
Energy: 0.689085874206383
Energy: 0.6557794366065763
Energy: 0.6170456505314892
Energy: 0.9376938051328954
Energy: 0.6254693360353504
Energy: 0.42197721745537975
Energy: 0.9249757075685817
Energy: 0.6582092682434798
Energy: 0.6223246353663754
Energy: 0.5624852262565346
Energy: 0.9526024730762844
Energy: 0.9656455857702076
Energy: 0.3420116083798764
Energy: 1.0629821053678827
Energy: 0.693640806597809
Energy: 0.7040041440983611
Energy: 0.3815779886799198
Energy: 0.7423513560073928
Energy: 0.9448194097498896
Energy: 0.30606763071304455
Energy: 0.9253272764856486
Energy: 0.9013226021494971
Energy: 0.6358773453049221
Energy: 0.7072667789282874
Energy: 0.8979472893651989
Energy: 0.6774995375190169
Energy: 0.7683635795026091
Energy: 1.041871555938246

minimum gb energy = -0.03191289442285667 eV
minimum distance =  2.26013725879389 Angstroms
sigma value = 311


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

Energy: 1.0094266971205759
Energy: 0.25771969234146236
Energy: 0.3348388934569156
Energy: 0.6150593720500976
Energy: 0.46516329202451473
Energy: 0.4397919518226491
Energy: 0.947794851433678
Energy: 0.9638769504479465
Energy: 0.9797804515819626
Energy: 0.7848081554277738
Energy: 0.6316825231858859
Energy: 0.873784674792036
Energy: 0.9357377652489763
Energy: 0.7595614701005893
Energy: 0.9569754890281108
Energy: 1.0387663088460244
Energy: 0.6394856413167177
Energy: 0.7185224469025489
Energy: 0.12666439812513672
Energy: 0.4530410060124683
Energy: 0.7097650161134218
Energy: 0.9426707542572643
Energy: 0.3414109694367976
Energy: 0.4368529755380215
Energy: 0.48770219590583097
Energy: 0.9132604788559676
Energy: 0.5780386189976768
Energy: 0.4123932236087122
Energy: 0.5988665185358363
Energy: 0.9396508065910634
Energy: 0.5179245842821514
Energy: 0.7982499875523958
Energy: 0.9265815388273687
Energy: 0.473635993959363
Energy: 0.47307049084288066
Energy: 1.044317534756487
Energy: 0.48079696438797437
Energy: 0.9398858721565132
Energy: 1.013977712141801
Energy: 0.31559472074611206
Energy: 0.9359939281785756
Energy: 1.0086925871553942
Energy: 1.001578209924566
Energy: 1.1414775373175332
Energy: 1.1139541436684584
Energy: 1.051834469471839
Energy: 0.31276203353055
Energy: 1.0166333535593173
Energy: 1.0674440674179864
Energy: 0.9493074666693374
Energy: 1.0812188523181252
Energy: 0.7105529305104551
Energy: 1.056570360082436
Energy: 0.961922176898675
Energy: 0.876073557106861
Energy: 0.8651760376699573
Energy: 0.43233658374841916
Energy: 1.018095314669318
Energy: 0.6774096436244205
Energy: 0.660171627720714
Energy: 0.9472826717887841
Energy: 1.110507199115711
Energy: 0.7062896482617532
Energy: 1.09759871748559
Energy: 1.0970625305545927
Energy: 1.0957779233574882
Energy: 0.2842977126279829
Energy: 0.5332934135884315
Energy: 0.9774861116667756
Energy: 1.0596025938240872
Energy: 0.8466091980791599
Energy: 0.7211444458586324
Energy: 1.0017079951330934
Energy: 0.9650369161436649
Energy: 0.9207963587302382
Energy: 0.6351171512145602
Energy: 0.9064720580087138
Energy: 0.9889734919352806
Energy: 0.617626515912929
Energy: 0.936598333394421
Energy: 1.0053812884673403
Energy: 0.9382144304158214
Energy: 0.9729846476048685
Energy: 1.1526776797618699
Energy: 0.9300036906272093
Energy: 0.3418975530361777
Energy: 0.9800376680578797
Energy: 0.4724951178370972
Energy: 0.891374268179811
Energy: 0.98741406136271
Energy: 0.98740755701476
Energy: 1.0598307582605742
Energy: 0.4427169561372968
Energy: 0.7148525918873436
Energy: 0.8149353339441766
Energy: 0.8558022068984487
Energy: 0.7630917540718087
Energy: 1.0925801472718581
Energy: 0.8062951086349008
Energy: 0.8562277611503621
Energy: 1.0324353109762077
Energy: 0.6070948088360607
Energy: 0.5785733496678769
Energy: 1.0749554334753049
Energy: 0.7670299330785637
Energy: 0.5111326212247741
Energy: 0.9249128687728508
Energy: 0.5564968124339021
Energy: 0.6103284217008961
Energy: 0.5797998783314454
Energy: 0.4426616015672832
Energy: 0.4691826604270145
Energy: 0.9368065716856782
Energy: 0.6943473419266935
Energy: 0.7281433594542198
Energy: 0.8080362995032715
Energy: 0.7922353953459176
Energy: 1.0925803107399081
Energy: 0.7035276396054884
Energy: 0.9836509370552625
Energy: 0.8973509552667748
Energy: 1.0358668473277244
Energy: 0.3554677312715903
Energy: 0.9337944315687189
Energy: 1.0082551659080732
Energy: 0.973869001832143
Energy: 0.38765775586816187
Energy: 1.1295857912659533
Energy: 1.05740420977029
Energy: 0.7365761656453317
Energy: 0.30926186678802003
Energy: 1.0188664304994568
Energy: 0.37943772135719395
Energy: 0.7342436692199492
Energy: 0.7438977306855908
Energy: 0.8654672238891016
Energy: 0.9115569856656363
Energy: 0.707420940506317
Energy: 0.7931249035847957
Energy: 0.6272477129088685
Energy: 0.6857714633773843
Energy: 0.6399492220344809
Energy: 0.6823425554855499
Energy: 0.44314988179419273
Energy: 0.5494131754367564
Energy: 1.0262383573775378
Energy: 0.5885053403815876
Energy: 1.0888905702763945
Energy: 0.6826338027993679
Energy: 0.6500478974005152
Energy: 1.005498110028122
Energy: 1.042971407420839
Energy: 0.8967833139967545
Energy: 0.9701561534437113
Energy: 1.0162431127922726
Energy: 1.0015213372560423
Energy: 0.9897904602120546
Energy: 0.9761504293391957
Energy: 0.9910453141678245
Energy: 0.9027031627433698
Energy: 0.9226772507073112
Energy: 0.8197231550243682
Energy: 1.142279816482243
Energy: 0.5304181986969366
Energy: 0.9243890777269791
Energy: 0.9864329313491745
Energy: 0.9819570934297488
Energy: 0.5522142339741641
Energy: 0.9760498623765937
Energy: 0.8419577577119587
Energy: 0.9816854019970461
Energy: 0.9389609030939917
Energy: 0.8888996967695761
Energy: 1.0555610085685896
Energy: 0.9750145554769503
Energy: 0.9966210610588775
Energy: 0.973374269782536
Energy: 0.9252750780593716
Energy: 0.8395930309718008
Energy: 0.7147035561848414
Energy: 1.075594186838593
Energy: 0.7826651150136774
Energy: 0.268936463335426
Energy: 1.0855251848446077
Energy: 0.537749486850232
Energy: 0.8841350554284925
Energy: 1.0638962506865934
Energy: 0.7094261569902567
Energy: 0.7154799300746134
Energy: 0.4808739230769776
Energy: 0.6947942465896009
Energy: 0.22680536172249158
Energy: 0.9570748330855592
Energy: 0.8816841921458883
Energy: 0.9268579495045811
Energy: 0.6378754009708587
Energy: 0.7892371740456358
Energy: 0.516873357721291
Energy: 0.8745184029302279
Energy: 0.48884434343346217
Energy: 0.8280329367821884
Energy: 0.8091402927045416
Energy: 0.7300806343319638
Energy: 0.970445546196335
Energy: 0.685659413517643
Energy: 0.9040440624722035
Energy: 0.9987722789925745
Energy: 0.9545062586677622
Energy: 0.9347707348142206
Energy: 0.9430257663055639
Energy: 0.5649800774512218
Energy: 0.8266392952357171
Energy: 0.41881616932755167
Energy: 0.9350559677699075
Energy: 1.054140528788764
Energy: 0.4158612740397626
Energy: 1.0136240535031944
Energy: 0.951593193105332
Energy: 0.7234365629862202
Energy: 0.691578815225422
Energy: 0.8987022845433661
Energy: 0.9263460136052115
Energy: 0.6796628031323455
Energy: 0.933367494729924
Energy: 1.1695600779019097
Energy: 0.909423969568021
Energy: 0.6019605650446153
Energy: 0.947505715059612
Energy: 0.9349406412641488
Energy: 0.9903397119748004
Energy: 0.9796105243082616
Energy: 0.9614587276542758
Energy: 0.6317003531400878
Energy: 0.7424520004364917
Energy: 1.0916659346076019
Energy: 0.7942649564471203
Energy: 0.8935601305832338
Energy: 0.801290102337456
Energy: 0.5627056694897572
Energy: 1.0822881082376874
Energy: 0.9224582777004597
Energy: 1.0146830532317928
Energy: 0.9468833335250837
Energy: 1.0131032909042947
Energy: 1.1658822059610578
Energy: 1.0872754782863723
Energy: 0.40703508828386137
Energy: 0.9320585699027181
Energy: 0.9964352700910551
Energy: 0.9968962103008353
Energy: 0.9016442143748135
Energy: 1.066013219419948

minimum gb energy = 0.12666439812513672 eV
minimum distance =  2.23108223642598 Angstroms
sigma value = 39


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

Energy: 0.8597166543332044
Energy: 0.8138630144937443
Energy: 0.6774737312448537
Energy: 0.4962941728367425
Energy: 0.5162669001332875
Energy: 0.5502573933509586
Energy: 0.204952220572884
Energy: 0.6375544019083405
Energy: 0.5141945470234671
Energy: 0.5980463164251937
Energy: 0.6408162327787887
Energy: 0.9421842540099713
Energy: 0.6075245602673054
Energy: 0.6328880951690448
Energy: 0.18462045699889745
Energy: 0.7499371956009366
Energy: 1.097711783043364
Energy: 0.6475605976368173
Energy: 0.56829999723577
Energy: 0.21045445702001078
Energy: 0.7704244005654926
Energy: 0.7510192666051669
Energy: 0.43483893753995817
Energy: 0.7449361375333252
Energy: 0.7593879005863308
Energy: 0.4148277040194557
Energy: 0.3735840079001007
Energy: 0.7522031475072022
Energy: 0.7892746902821864
Energy: 0.20464236846953723
Energy: 0.5496341008711626
Energy: 0.7692431595494509
Energy: 0.6817841789268686
Energy: 0.580916912312636
Energy: 0.7547372170786947
Energy: 0.7931033465568914
Energy: 0.5168772885219511
Energy: 0.5943891307256379
Energy: 0.3914862870177723
Energy: 0.5796427048543387
Energy: 1.055058720238584
Energy: 0.5979201406115646
Energy: 0.5363252044676039
Energy: 0.6856600880560032
Energy: 0.661752570198631
Energy: 0.6634187131528283
Energy: 0.6546284685840882
Energy: 0.7149301382821815
Energy: 0.6368532306217628
Energy: 0.7559728246322587
Energy: 0.15662887544026824
Energy: 1.0386564183116147
Energy: 0.7725942886787412
Energy: 0.5412143088115036
Energy: 1.0164133861059241
Energy: 0.6496489610822112
Energy: 0.7540551938639449
Energy: 0.7445740283657475
Energy: 0.5913398964693382
Energy: 0.6926236108191621
Energy: 0.640834097350562
Energy: 0.6144200238976119
Energy: 0.6365528056311353
Energy: 0.7140918300612312
Energy: 0.7386335742953276
Energy: 0.16490437578084885
Energy: 0.6945521229524703
Energy: 0.7247856778138361
Energy: 0.3343760698688787
Energy: 0.20679567194624623
Energy: 0.6425541473078701
Energy: 0.8982257835817843
Energy: 0.6652496781077865
Energy: 0.6634583551899212
Energy: 0.6310620064305319
Energy: 0.6251043086658011
Energy: 0.731378403024913
Energy: 0.7490559967247173
Energy: 0.7859662980737401
Energy: 0.6755512212479866
Energy: 0.6256068801257785
Energy: 0.3953418877453473
Energy: 0.7920842137266296
Energy: 0.6441351117638581
Energy: 0.7920996704771402
Energy: 0.6137438917574125
Energy: 0.7568728212226179
Energy: 0.8528356300918217
Energy: 0.6096554582963151
Energy: 0.6837823964346215
Energy: 0.847774990220688
Energy: 0.6455884043025378
Energy: 0.9463675938720492
Energy: 0.8650652847333803
Energy: 0.20573623655975123
Energy: 0.7329836204590587
Energy: 0.7941172691435868
Energy: 0.6555654596223263
Energy: 0.4876994156007628
Energy: 0.6356316591055231
Energy: 0.600373177014196
Energy: 0.7882372185278348
Energy: 0.24181113155991782
Energy: 0.16913860918587392
Energy: 0.7363592552759045
Energy: 0.508410545573109
Energy: 0.8159011967368488
Energy: 0.13752864617922517
Energy: 0.5412276220445934
Energy: 0.4648133110065215
Energy: 0.266641311679631
Energy: 0.5330463573547334
Energy: 0.6465570736520649
Energy: 0.6455955319182042
Energy: 0.5908732238518822
Energy: 0.6369474918885301
Energy: 0.9421873978263441
Energy: 0.5940100083192082
Energy: 0.6331682783570678
Energy: 0.6517766567988359
Energy: 0.7919046205337222
Energy: 1.0992169719453535
Energy: 0.6446195004431599
Energy: 0.5632307835293577
Energy: 0.2063376491356877
Energy: 0.8151559348671333
Energy: 0.751646740498681
Energy: 0.3811599908225235
Energy: 0.7472832349168415
Energy: 0.759062344262087
Energy: 0.4035189366706272
Energy: 0.37072752677593906
Energy: 0.7514108752733557
Energy: 0.5256084621474146
Energy: 0.20722830520626082
Energy: 0.5465278288860596
Energy: 0.7731136168112694
Energy: 0.6835638296719723
Energy: 0.59990950421351
Energy: 0.7567528537217016
Energy: 0.21103206336934605
Energy: 0.9450409003874288
Energy: 0.5934052911342392
Energy: 0.6498474991340507
Energy: 0.8687309200653749
Energy: 1.0547203726049807
Energy: 0.6733855764891501
Energy: 0.5490836117413757
Energy: 0.6856717337896758
Energy: 0.6630830258493583
Energy: 0.6402324903397105
Energy: 0.664902244989425
Energy: 0.7116279938215887
Energy: 0.6561581736037433
Energy: 0.7616675268200801
Energy: 0.012815768572095352
Energy: 1.04039917063273
Energy: 0.7738794854443467
Energy: 0.5500475528879504
Energy: 1.0169640665766273
Energy: 0.6376800963879475
Energy: 0.7119686656524983
Energy: 0.7383829623359196
Energy: 0.5927713644056686
Energy: 0.6854737344805087
Energy: 0.5881980925121231
Energy: 0.6119769454506541
Energy: 0.725889095926837
Energy: 0.7078442881020027
Energy: 0.7330500686161547
Energy: 0.18350874303282336
Energy: 0.695797821663306
Energy: 0.5778620532999491
Energy: 0.3407336101683485
Energy: 0.15274564648417727
Energy: 0.6881937500783495
Energy: 0.897793617610558
Energy: 0.16374171258288858
Energy: 0.7362783118708119
Energy: 0.6267170849657924
Energy: 0.6155627432439144
Energy: 0.7278772713195946
Energy: 0.7508006904989835
Energy: 0.729973711673961
Energy: 0.7094430281882521
Energy: 0.6103646704219062
Energy: 0.4088242277648092
Energy: 0.790969441199198
Energy: 0.5936560181992404
Energy: 0.7679802734295313
Energy: 0.6178178124874277
Energy: 0.8575000543629
Energy: 0.8485290444776759
Energy: 0.6096964929975507
Energy: 0.689311130290535
Energy: 0.8478303708136945
Energy: 0.27079112671745226
Energy: 0.9504015882716588
Energy: 0.8541573535719222
Energy: 0.6820462928005543
Energy: 0.7347343886249049
Energy: 0.9777630506618523
Energy: 0.6556384018737267
Energy: 0.5105324283629932
Energy: 0.6306125977818027
Energy: 0.6029737537908267
Energy: 0.7563586104887973
Energy: 0.16409660804021367
Energy: 0.5995353182024701
Energy: 0.6429004332540454

minimum gb energy = 0.012815768572095352 eV
minimum distance =  2.23655607819224 Angstroms
sigma value = 21


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

Energy: 1.2430214748137005
Energy: 0.7075380701086149
Energy: 0.3783177904604227
Energy: 0.6916691501327813
Energy: 0.5180440823621815
Energy: 0.462863058850038
Energy: 0.4280754203369596
Energy: 0.3479498688752624
Energy: 0.5420662186911644
Energy: 0.4161183806569992
Energy: 0.5043865128415235
Energy: 0.47281075490097957
Energy: 0.460598500013275
Energy: 0.5287724618983609
Energy: 0.6273106097350558
Energy: 0.44995011626661224
Energy: 0.44439418004473635
Energy: 0.5236775062208716
Energy: 0.15843047443053515
Energy: 0.47117801078024535
Energy: 0.36826256685985886
Energy: 0.6999835375590733
Energy: 0.4264126634793581
Energy: 0.47553143705450196
Energy: 0.5137986561868081
Energy: 0.49249627553345277
Energy: 0.4700301116984214
Energy: 0.42756732021991406
Energy: 0.48626199209594717
Energy: 0.35581313194538683
Energy: 0.4278306618640436
Energy: 0.42385669745704513
Energy: 0.3227952126873042
Energy: 0.3236564926045768
Energy: 0.37243397355380536
Energy: 0.4000209976169555
Energy: 0.5193937038692091
Energy: 0.5630584027216846
Energy: 0.0008506942257584701
Energy: 0.4687959301127576
Energy: 0.506160016744302
Energy: 0.546822519681126
Energy: 0.4561667070815086
Energy: 0.34859033781722487
Energy: 0.525886063854854
Energy: 0.4656298038910713
Energy: 0.34353277520458275
Energy: 0.40620733954095006
Energy: 0.46765223225600905
Energy: 0.4165912787164865
Energy: 0.33160633728775585
Energy: 0.5667557122989217
Energy: 0.43527224861521707
Energy: 0.3989412113644201
Energy: 0.514094796847875
Energy: 0.4242959049565605
Energy: 0.5282688982577528
Energy: 0.539226400251769
Energy: 0.48522817844461047
Energy: 0.4321116927228096
Energy: 0.535743318066182
Energy: 0.4400361119799241
Energy: 0.3721058112547128
Energy: 0.5173223158617121
Energy: 0.5016345184963523
Energy: 0.4065842397487295
Energy: 0.05583585598024431
Energy: 0.515281505630653
Energy: 0.49330390124266016
Energy: 0.006215680784536839
Energy: 0.5625025656514019
Energy: 0.521148692759929
Energy: 0.1065330967581616
Energy: 0.42209933782741244
Energy: 0.43401379817999547
Energy: 0.13194207509879788
Energy: 0.5229836647847728
Energy: 0.5082068579172343
Energy: 0.3841230624598407
Energy: 0.5274161140408948
Energy: 0.3577302291656287
Energy: 0.4506422386351734
Energy: 0.48452196291023375
Energy: 0.5471398936407014
Energy: 0.49417957405241164
Energy: 0.4437451408413118
Energy: 0.5127987841900805
Energy: 0.3587339950547184
Energy: 0.46215706050775984
Energy: 0.5020923424967163
Energy: 0.41999564780243537
Energy: 0.5099775744829759
Energy: 0.56657850279851
Energy: 0.48846966927613494
Energy: 0.4938064816452607
Energy: 0.37578542533860326
Energy: -0.04328342029418182
Energy: 0.45248868239200335
Energy: 0.5345117578527439
Energy: 0.3224664643424587
Energy: 0.37267793212698447
Energy: 0.5419609622909802
Energy: 0.37555145647679045
Energy: 0.3107527105273597
Energy: 0.5182718829359051
Energy: 0.37594836005581656
Energy: 0.5662467073108223
Energy: 0.3541285282058575
Energy: 0.4284410813198658
Energy: -0.026272449548177843
Energy: 0.5733142025599075
Energy: 0.39642044760982753
Energy: 0.573892967421402
Energy: 0.5604064484156277
Energy: 0.2674870909383911
Energy: 0.5348049471241705
Energy: 0.5735209886902777
Energy: 0.47872298690087794
Energy: 0.43837795778006083
Energy: 0.38890210035545786
Energy: 0.5502228028195738
Energy: -0.13593787057722542
Energy: 0.39413285714106694
Energy: 0.44518897233430754
Energy: 0.5206821009367116
Energy: 0.37213718504291926
Energy: 0.580012182605327
Energy: 0.4659162410568843
Energy: 0.6724931068191324
Energy: 0.15710587576007423
Energy: 0.5485060488672479
Energy: 0.4024894746606788
Energy: 0.09132388708346033
Energy: 0.4132706241714853
Energy: 0.4526186705000835
Energy: 0.3720230113086997
Energy: 0.42319070130773395
Energy: 0.523702497470186
Energy: 0.35718301712393513
Energy: 0.4663622585401786
Energy: 0.12715813978993565
Energy: 0.5717071513427803
Energy: 0.27821132520069425
Energy: 0.46170010867047095
Energy: 0.5634901303897255
Energy: 0.7056242410344435
Energy: 0.7001866583995807
Energy: 0.3733847671758345
Energy: 0.4172181845436584
Energy: 0.35404920614879215
Energy: 0.5905552326276202
Energy: 0.08596932940710819
Energy: 0.6443196828476255
Energy: 0.6023524829178171
Energy: 0.40387536648980993
Energy: 0.5113418913231371
Energy: 0.5306195651715071
Energy: 0.5121614861096985
Energy: 0.07077462142532438
Energy: 0.47619749348633394
Energy: 0.4371330531758611
Energy: 0.6888970018372906
Energy: 0.5083862615695734
Energy: 0.37445612431388936
Energy: 0.6325907348159591
Energy: 0.4544440989057317
Energy: 0.5214485518854048
Energy: 0.7820796429931715
Energy: 0.44657698259458173
Energy: 0.5530418704221244
Energy: 0.19519145976960575
Energy: 0.37214064096794336
Energy: 0.4517310569372552
Energy: 0.07244295271922796
Energy: 0.5214964867992565

minimum gb energy = -0.13593787057722542 eV
minimum distance =  2.29029511970951 Angstroms
sigma value = 113


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

Energy: 0.264604468063271
Energy: 0.066353100901212
Energy: -0.014285985482931673
Energy: 0.07803983118894199
Energy: 0.07767141952707038
Energy: 0.048847429420002114
Energy: 0.2804041217837428
Energy: -0.2057888837550104
Energy: 0.1458449731153686
Energy: -0.2713016817351673
Energy: 0.23391579378043778
Energy: 0.020888424174096414
Energy: 0.1677338231016727
Energy: -0.22955161448162514
Energy: 0.21127857428000887
Energy: 0.02680351171866067
Energy: 0.1573426706462143
Energy: -0.29288779829663086
Energy: -0.23699820756875492
Energy: 0.14970553822111754
Energy: -0.2851553603472272
Energy: -0.3545602094829738
Energy: -0.3383282613302855
Energy: 0.12723645445954482
Energy: -0.7142200763692285
Energy: -0.6185721809024787
Energy: 0.12448225279477526
Energy: -0.5706580954497918
Energy: -0.4904644410765922
Energy: -0.2073536802204634
Energy: 0.07738314735414249
Energy: -0.6250288238468309
Energy: -0.5970502039946163
Energy: 0.06213618948503673
Energy: -0.5836837657820328
Energy: 0.09525976246646858
Energy: 0.19108188159349562
Energy: 0.0825819632986546
Energy: 0.37585791287359904
Energy: 0.1007293145698251
Energy: 0.2796907175793809
Energy: 0.21160797546825966
Energy: -0.5848012989829472
Energy: -0.6777009763584375
Energy: -0.2579561502780123
Energy: -0.7048026272135214
Energy: -0.5942513813060997
Energy: -0.5707458697590057
Energy: -0.6939471946934878
Energy: -0.5378685397093431
Energy: -0.5533137622885582
Energy: -0.5342156905941531
Energy: -0.702520518911559
Energy: -0.5604194725269992
Energy: -0.5637032874191605
Energy: -0.6151966287815652
Energy: -0.5643325085149098
Energy: 0.08180219929860669
Energy: 0.25298360336447284
Energy: 0.1896177372762255
Energy: 0.14798338715187254
Energy: 0.056432895607446666
Energy: 0.11327224451588563
Energy: -0.1886270200388164
Energy: -0.503945718530264
Energy: -0.6759844246434277
Energy: -0.7238926815769803
Energy: 0.06662139001833978
Energy: -0.6797338579873129
Energy: -0.47738225740162277
Energy: -0.6141081459682323
Energy: -0.5344883076842605
Energy: -0.5694077550268251
Energy: -0.712238092929818
Energy: -0.7238267702782298
Energy: -0.5551784779765427
Energy: -0.6483210171175733
Energy: -0.45270873201057804
Energy: -0.6101868986887101
Energy: -0.070047254659015
Energy: -0.2652087318514762
Energy: -0.6432104736349918
Energy: -0.5941467387474548
Energy: 0.12741873430203882
Energy: -0.02047026478870636
Energy: 0.5940017233834621
Energy: -0.34613184634873717
Energy: -0.37087820395098126
Energy: -0.3937274373816728
Energy: -0.36966919358054473
Energy: -0.45381788771769216
Energy: -0.4619812792737414
Energy: -0.6912537737143574
Energy: -0.7656770326569172
Energy: -0.5952354324900408
Energy: -0.7204622568399377
Energy: -0.764633584544889
Energy: -0.6919547103902713
Energy: -0.49985472972617834
Energy: -0.5308361797030354
Energy: -0.6105372451118993
Energy: -0.5818524130210947
Energy: -0.25748144684232205
Energy: -0.6405321430564098
Energy: -0.3760625654786683
Energy: -0.09395365601820774
Energy: -0.20600417391578021
Energy: 0.596624977624065
Energy: 0.6032062486631156
Energy: -0.09275897458492723
Energy: 0.006156069524709257
Energy: -0.12708409203921897
Energy: -0.43407040705566075
Energy: -0.5476533522465774
Energy: -0.37731534351922213
Energy: -0.5715270159787098
Energy: -0.47691497086994644
Energy: -0.3059869001034597
Energy: -0.544792946092313
Energy: -0.11669318613963106
Energy: -0.5398192247789845
Energy: -0.35387660945186
Energy: 0.6105320814005022
Energy: -0.33487692100769634
Energy: -0.4469255955680284
Energy: -0.3498916757784526
Energy: -0.32042086573400597
Energy: -0.43842359266873665
Energy: 0.028312900289346556
Energy: -0.2503042641981133
Energy: -0.6521006049640967
Energy: -0.19429399285772175
Energy: -0.3434237545604467
Energy: -0.38385980254659297
Energy: -0.21869704908099719
Energy: -0.024115441812684445
Energy: -0.26470678307514667
Energy: 0.615774348137047
Energy: -0.13418280369214622
Energy: -0.49317247166759454
Energy: 0.5790184306779884
Energy: -0.19612204133857034
Energy: -0.22557557083303162
Energy: 0.6266901704919604
Energy: -0.5940441262065241
Energy: 0.6024329253275447
Energy: -0.43018605578034624
Energy: -0.24853696711953432
Energy: -0.6120258030257234
Energy: -0.5359593149982146
Energy: -0.533602787764719
Energy: -0.3171221202718716
Energy: -0.44189331928185915
Energy: -0.6451250182093591
Energy: -0.20793660832494765
Energy: 0.6088841961297777
Energy: 0.6247286901344946
Energy: -0.20029082049094032
Energy: 0.6140510089303711
Energy: -0.07861687693405513
Energy: -0.3287137328554821
Energy: -0.1304511441061895
Energy: -0.2034583805108467
Energy: -0.5038152877342487
Energy: -0.21179869212790908
Energy: -0.21727331968261848
Energy: -0.549333697898365
Energy: -0.12951832589389484
Energy: -0.21464510381929577
Energy: -0.6180958029074982
Energy: -0.5769025799001904
Energy: -0.4506836657366011
Energy: -0.5389769663512808
Energy: -0.6601237913129521
Energy: 0.6126955297023672
Energy: -0.18165277350508793
Energy: -0.5717553744755048
Energy: -0.4301243192240189
Energy: -0.5833269001273464
Energy: -0.538673535577225
Energy: -0.5626189774001876
Energy: -0.5885099448010178
Energy: -0.26587706236050956
Energy: -0.26529507185400286
Energy: -0.019375852573695538
Energy: -0.18806095250872132
Energy: 0.5945413924920026
Energy: -0.052572339013871434
Energy: -0.17552482655647916
Energy: -0.282950176342133
Energy: -0.5544426306584708
Energy: -0.43102884725353463
Energy: -0.4845924844608804
Energy: -0.6974027920545532
Energy: -0.5542810999847649
Energy: -0.6721798304600742
Energy: -0.7088652029597953
Energy: -0.7373288767787738
Energy: -0.6455612101170398
Energy: -0.6009535661662107
Energy: -0.6930220187598994
Energy: -0.6871198373662104
Energy: -0.7048704503563752
Energy: -0.025412803003517778
Energy: -0.4149146412757215
Energy: -0.40370531064122134
Energy: -0.5321405860850537
Energy: -0.4109697193365537
Energy: -0.40143812826912223
Energy: -0.02380999881700922
Energy: -0.6139551699863668
Energy: -0.6642364136897282
Energy: -0.6163394445355387
Energy: -0.3087868657437272
Energy: -0.590312802295594
Energy: -0.6277338455703467
Energy: -0.2077824529259627
Energy: -0.6903104089245511
Energy: -0.4746401051823324
Energy: -0.7313285634058787
Energy: -0.6539823411246511
Energy: -0.6891831686745641
Energy: -0.6589016483588608
Energy: -0.729990110227914
Energy: -0.36656559561149266
Energy: -0.6071815726109695
Energy: -0.23330837687390935
Energy: -0.5673870625928372
Energy: -0.6665242115989185
Energy: -0.3756692864596637
Energy: -0.354162096746245
Energy: -0.2193567578277455
Energy: 0.23970903880780609
Energy: -0.4677030278445663
Energy: -0.6726205964965717
Energy: -0.6563685185827214
Energy: 0.09952269221181753
Energy: 0.1058722458924008
Energy: -0.6190081952497988
Energy: -0.548350988072879
Energy: -0.5872277314403962
Energy: -0.6187419393358912
Energy: -0.5801652372333876
Energy: -0.5795717157882062
Energy: -0.6876159158991599
Energy: -0.38992592243896695
Energy: -0.3838474543262406
Energy: -0.6301836152034956
Energy: -0.6739877518292359
Energy: -0.47696635375804997
Energy: -0.3484504592577982
Energy: -0.6424204519218428
Energy: 0.014383471762438592
Energy: 0.08329270455270667
Energy: 0.3132683691399064
Energy: 0.2802570436753252
Energy: 0.29775148549237523
Energy: 0.24159681396021465
Energy: 0.16163514201991408
Energy: -0.4889133961576867
Energy: 0.11635404333312972
Energy: -0.3038557469394388
Energy: -0.6193301616902791
Energy: -0.5505211466737094
Energy: -0.5902678833225834
Energy: -0.643089678995238
Energy: -0.29320840514199237
Energy: -0.6258411279234313
Energy: -0.32241669119303284
Energy: -0.646787204265717
Energy: 0.026261102460168877
Energy: -0.24203146674732406
Energy: -0.7251038727531937
Energy: 0.2389126782001548
Energy: 0.2097201306682567
Energy: -0.6751345552557679
Energy: -0.33808226873820746
Energy: -0.44456492605464587
Energy: 0.17556566132746323
Energy: -0.5892640518892195
Energy: -0.010825475442733887
Energy: 0.07058878073239933
Energy: 0.02160848772580251
Energy: -0.2503244415148465
Energy: -0.33680293302532893
Energy: 0.024295218551732348
Energy: -0.488529057755943
Energy: -0.07945232231732977
Energy: -0.15618993782438997
Energy: 0.2666171948453049
Energy: 0.04641365955852347
Energy: -0.5750079522257722
Energy: 0.09763119102354
Energy: -0.05577371694820324
Energy: 0.18027361310598694
Energy: 0.20503838409118175
Energy: -0.3821736375941617
Energy: 0.18413724814976778
Energy: 0.2588589553753399
Energy: -0.32628072825176685
Energy: 0.28845723296924286
Energy: 0.2495688422463015
Energy: 0.19416499093580594
Energy: 0.07598125855917488
Energy: 0.013435384885416807
Energy: 0.1589205382370984
Energy: 0.17756226764911867
Energy: 0.28541344076638003
Energy: 0.2505567607410608
Energy: -0.252483048655081
Energy: -0.5795918249280981
Energy: 0.19454388696974273
Energy: -0.3419033508764404
Energy: -0.6946011836282895
Energy: 0.02479643538287644

minimum gb energy = -0.7656770326569172 eV
minimum distance =  2.33122059912443 Angstroms
sigma value = 365


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

Energy: 1.4364776185229786
Energy: 0.3236762181072614
Energy: -0.2137855191457172
Energy: -0.21268264837419848
Energy: -0.2121630380286189
Energy: -0.21227919704567144
Energy: -0.2137674557539097
Energy: -0.3873192330113712
Energy: -0.35542135127482527
Energy: -0.3596801369654289
Energy: -0.3552454239417654
Energy: -0.2869272890274836
Energy: -0.2874953415266586
Energy: -0.35441790406754586
Energy: -0.3891427964127178
Energy: -0.28461944478094553
Energy: -0.28797811392230216
Energy: -0.35479728866874155
Energy: -0.35473097973810885
Energy: -0.35770997169505586
Energy: -0.3535540686170429
Energy: 0.32467901256261467
Energy: 0.28491360440619407
Energy: 0.21982468774856206
Energy: 0.21996825028679315
Energy: 0.2238155430133991
Energy: 0.30223951729846876
Energy: 0.300791286413211
Energy: 0.3660298775576003
Energy: 0.40817927291137507
Energy: 0.40914174696512445
Energy: 0.405990088934031
Energy: 0.2528532131945375
Energy: 0.37553689453591715
Energy: 0.37465093827668194
Energy: -0.35620306123384216
Energy: -0.3559055516639567
Energy: -0.35727640248184
Energy: -0.36014566078844296
Energy: -0.3584748053521246
Energy: -0.2837965347882468
Energy: -0.28703987387445384
Energy: 0.35143843252278717
Energy: 0.3770839577897808
Energy: 0.17809678334122842
Energy: 0.32892806463144963
Energy: 0.27620916037010307
Energy: 0.23246767523906692
Energy: 0.406623888608787
Energy: 0.32720049774944376
Energy: 0.4133779008711168
Energy: 0.23047993709862444
Energy: 0.2804646713083606
Energy: 0.2926609929529609
Energy: 0.26100588226430865
Energy: 0.37856031335262513
Energy: -0.35848537488025545
Energy: -0.2865344295154646
Energy: -0.2890369773324986
Energy: -0.35382115807638087
Energy: -0.35457548917368437
Energy: -0.355385274643991
Energy: -0.3572720139181642
Energy: 0.36362928730350996
Energy: 0.3748410648292512
Energy: 0.37535288396967176
Energy: 0.3733358253104221
Energy: 0.36661231597772825
Energy: 0.4088394551259429
Energy: 0.4087677626736012
Energy: 0.32466830221171805
Energy: 0.3560420459208763
Energy: 0.2225844259945386
Energy: 0.22260904222920488
Energy: 0.2202757149544031
Energy: 0.22035323506105775
Energy: 0.22039486356584764
Energy: -0.3694252479215928
Energy: -0.3581157856014603
Energy: -0.3158091651416113
Energy: -0.3555432724530389
Energy: -0.3531280866848136
Energy: -0.28776407483131833
Energy: -0.28742711279024874
Energy: -0.37004213814747483
Energy: -0.3550597162170798
Energy: -0.28805180865078933
Energy: -0.2873043316941698
Energy: -0.35739029630267494
Energy: -0.3569772451745047
Energy: -0.35770134476921445
Energy: 0.32132162483804677
Energy: 0.47500982555834026
Energy: 0.21717681713801437
Energy: 0.21908326093412542
Energy: 0.21915907098420928
Energy: 0.21760741219003593
Energy: 0.2123612717457521
Energy: 0.36018754384830054
Energy: 0.40915464963169845
Energy: 0.4095754109847401
Energy: -0.2849504156619863
Energy: -0.3635026016353512
Energy: -0.3566268364461161
Energy: 0.37601803102425035
Energy: -0.3545253264857969
Energy: -0.28763013832373124
Energy: -0.2888654603972168
Energy: -0.35537477065259543
Energy: -0.3560094346810561
Energy: -0.35825111959970063
Energy: -0.3592911661521013
Energy: 0.3271020177675629
Energy: 0.36344202248034774
Energy: 0.22273600678440736
Energy: 0.2207034632835354
Energy: 0.22465886953511902
Energy: 0.22123049912041703
Energy: 0.2991619630853851
Energy: 0.3285548914311382
Energy: 0.4084212507069278
Energy: 0.4087821754151709
Energy: 0.2360555708385537
Energy: 0.2744562961734366
Energy: 0.3700341223159597
Energy: 0.3752998066430646
Energy: -0.3556012417379951
Energy: -0.3528274780976267
Energy: -0.3864290487025386
Energy: -0.3568681052537919
Energy: -0.28715203473206025
Energy: -0.28022052300413314
Energy: -0.28652371760565615
Energy: 0.3183015930322857
Energy: 0.37593658409354935
Energy: 0.37594637486305327
Energy: 0.33372768927768837
Energy: 0.27168061087015455
Energy: 0.23471127283989646
Energy: 0.4075354333158001

minimum gb energy = -0.3891427964127178 eV
minimum distance =  2.37478645594971 Angstroms
sigma value = 23