Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.956557989120483
cohesive_energy=1.9185415322216013
mass=207.2
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.76195444026432e-20, 1.003255771208022e-19, 1.267326524023902e-19, 1.501946065953594e-19, 1.7052767003978997e-19, 1.8838072427245199e-19, 2.0417017500052198e-19, 2.1819242490129e-19, 2.3084962030989e-19, 2.42309989772892e-19, 2.5253187669781196e-19, 2.61624229095762e-19, 2.69673564504978e-19, 2.7675198087398996e-19, 2.82926769621426e-19, 2.8824759822293995e-19, 2.9276733850745398e-19, 2.9652284053754995e-19, 2.99930670238068e-19, 3.02668790105574e-19, 3.04754824083042e-19, 3.0621600917324996e-19, 3.07077980202342e-19, 3.07359963289926e-19, 3.07053947552832e-19, 3.06054189333216e-19, 3.04226105793822e-19, 3.01406274917982e-19, 2.9739602680308e-19, 2.91990282839964e-19, 2.84966340476508e-19, 2.75875590255192e-19, 2.64274229248398e-19, 2.4961271087066397e-19, 2.31198894816102e-19, 2.08159594819182e-19, 1.79378093766006e-19, 1.4461005971988898e-19, 1.010683462083246e-19, 4.6329500854724396e-20, -2.2800575678453996e-20, -1.105506683989902e-19, -2.22825919726818e-19, -3.6805201636247997e-19, -5.57418079264842e-19, -8.080017091757099e-19, -1.1463189293877839e-18, -1.6127509997844e-18, -2.27321627361822e-18, -3.24065859052644e-18, -4.71637542280482e-18, -7.1026893450171e-18, -1.1271953490843599e-17, -1.94198227630506e-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: 0.004452802913439969
Energy: 0.060420128719779184
Energy: 0.0617210191186192
Energy: 0.06134864323259531
Energy: 0.0062624760560345116
Energy: 0.0050468199672649445
Energy: 0.06031866800848684
Energy: 0.06207218406995425
Energy: 0.06104124477192844
Energy: 0.006084484692114855
Energy: 0.060455417406707734
Energy: 0.06031801167118247
Energy: 0.060455709779186545
Energy: 0.061916571781702116
Energy: 0.06169203729477827
Energy: 0.06049080557847182
Energy: 0.06039167056476178
Energy: 0.060334365498144055
Energy: 0.06221501097188128
Energy: 0.06132198922589941
Energy: 0.0616781409072778
Energy: 0.004671350817674498
Energy: 0.0046424108607326
Energy: 0.06062791146285505
Energy: 0.061380961579559405
Energy: 0.06166533141567786
Energy: 0.004643240860839719
Energy: 0.00463533965810949
Energy: 0.060435422289152343
Energy: 0.061740427666165616
Energy: 0.061289203612850285
Energy: 0.005000851406548212
Energy: 0.00512659974989647
Energy: 0.060346301928990764
Energy: 0.06053809900280766
Energy: 0.061543781943693206
Energy: 0.005238397339718046
Energy: 0.004697289450894619
Energy: 0.06033208302414763
Energy: 0.060373312961993324
Energy: 0.061014300816753804
Energy: 0.06098897355083098
Energy: 0.062004006677389756
Energy: 0.005357717128630486
Energy: 0.004877267599098884
Energy: 0.060762556279501154
Energy: 0.06126214601689637
Energy: 0.0617767112436874
Energy: 0.00463506334579764
Energy: 0.0604830133461485
Energy: 0.06182006788900695
Energy: 0.0607264309234071
Energy: 0.06099069255840858
Energy: 0.004969883805175218
Energy: 0.004764167491746147
Energy: 0.06033161809369003
Energy: 0.060486504632580464
Energy: 0.06123619235517287
Energy: 0.0052648036183772
Energy: 0.0047953307357885225
Energy: 0.004805731537004888
Energy: 0.06228775900247779
Energy: 0.061233701586278694
Energy: 0.06081305375100479
Energy: 0.0625781565840869
Energy: 0.004786073085894325
Energy: 0.060440695167624854
Energy: 0.06098143258788076
Energy: 0.061077156407766606
Energy: 0.06225143671820442

minimum gb energy = 0.004452802913439969 eV
minimum distance =  3.45480047484251 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.4550428334213831
Energy: 0.5027147046702131
Energy: 0.45620415793666363
Energy: 0.45497553646343414
Energy: 0.45385704408449257
Energy: 0.4551636268315854
Energy: 0.5033712351252505
Energy: 0.5029290348197163
Energy: 0.4857523191490684
Energy: 0.5213946230239522
Energy: 0.47465272724723634
Energy: 0.4569724514006289
Energy: 0.400965546845379
Energy: 0.39849057883964906
Energy: 0.39829099366799037
Energy: 0.5015148242625664
Energy: 0.5033123099483012
Energy: 0.45097121871290724
Energy: 0.3983728852516163
Energy: 0.4975740903876855
Energy: 0.5233707517698813
Energy: 0.4239105035339259
Energy: 0.39670795005048265
Energy: 0.39815341966354334
Energy: 0.3965740523445709
Energy: 0.5227232203735062
Energy: 0.42431324063896353
Energy: 0.4870260760141432
Energy: 0.3983920669970826
Energy: 0.49538716954161055
Energy: 0.4620765781638428
Energy: 0.4859511946048413
Energy: 0.3966264313030445
Energy: 0.39818983581311485
Energy: 0.39682120707139507
Energy: 0.5051914059939624
Energy: 0.42468762911199787
Energy: 0.4862169587202217
Energy: 0.3982856028005235
Energy: 0.45632665787630855
Energy: 0.4893717018952943
Energy: 0.5659107853220751
Energy: 0.5330140335196089
Energy: 0.47190165386324207
Energy: 0.5669059924906584
Energy: 0.48862885757851277
Energy: 0.5652649474570198
Energy: 0.46891279581659867
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Energy: 0.5365001784189061
Energy: 0.4862101172691468
Energy: 0.5607096357402981
Energy: 0.46891554871973823
Energy: 0.6088530909459572
Energy: 0.48720554122759674
Energy: 0.487009122792644
Energy: 0.5596750589446307
Energy: 0.4687762154718268
Energy: 0.5597556429315321
Energy: 0.5348313384909584
Energy: 0.45671558958803987
Energy: 0.4567299745401253
Energy: 0.4683905741404042
Energy: 0.5317460426141633
Energy: 0.5303476635100125
Energy: 0.5733572186082881
Energy: 0.4805030668329976
Energy: 0.4682880384597454
Energy: 0.45710723525114266
Energy: 0.5347759734722821
Energy: 0.45666566649001245
Energy: 0.45623859323100846
Energy: 0.45526943385202745
Energy: 0.4564970786768313
Energy: 0.5299721971260064
Energy: 0.5271800227678318
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Energy: 0.45527612809257406
Energy: 0.45668641272993127
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Energy: 0.3978711928965092
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Energy: 0.5203262639677602
Energy: 0.4888877131484811
Energy: 0.5029211259690615
Energy: 0.5036068051904744
Energy: 0.4568313872715517
Energy: 0.3977266624728789
Energy: 0.3982674729613595
Energy: 0.5044339914917491
Energy: 0.4565703890242432
Energy: 0.5335054354579893
Energy: 0.48741686895651526
Energy: 0.4550842247766454
Energy: 0.5025642247334869
Energy: 0.4560427531842218
Energy: 0.45492369506685065
Energy: 0.4540107112561517
Energy: 0.4551117582169822
Energy: 0.5030886387725481
Energy: 0.45634319877762436
Energy: 0.48613488018231044
Energy: 0.44810099723295854
Energy: 0.4559904559063468
Energy: 0.45706165120538733
Energy: 0.4562737452890938
Energy: 0.39869008120793586
Energy: 0.398488727699998
Energy: 0.45495837941370343
Energy: 0.5027916087392469
Energy: 0.45686779830362945
Energy: 0.39842585125844315
Energy: 0.5141682540033997
Energy: 0.46745583420124537
Energy: 0.42378506549036155
Energy: 0.3969760969332995
Energy: 0.39813532570446963
Energy: 0.3966018996867366
Energy: 0.4241779680571387
Energy: 0.42416614387016777
Energy: 0.3968101624810169
Energy: 0.4945778879340848
Energy: 0.4944553322061206
Energy: 0.42590391752696694
Energy: 0.424152170182851
Energy: 0.39661695184060747
Energy: 0.45379437790657867
Energy: 0.3968465063406288
Energy: 0.42588206058119027
Energy: 0.42455720932386354
Energy: 0.4960636003788733
Energy: 0.45696133684020007
Energy: 0.532962437860446
Energy: 0.5046135151020945
Energy: 0.567499943803411
Energy: 0.46907246930890834
Energy: 0.4713796032178077
Energy: 0.566640049076019
Energy: 0.502768702382751
Energy: 0.5668122440443805
Energy: 0.46877126897406407
Energy: 0.471821663517782
Energy: 0.5230598942155237
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Energy: 0.5610885976277307
Energy: 0.46963625311264795
Energy: 0.5642575931015313
Energy: 0.5233070875211593
Energy: 0.5226496286191014
Energy: 0.5601487359728577
Energy: 0.509654822412684
Energy: 0.5590291490300289
Energy: 0.5349424156378604
Energy: 0.5457481545958174
Energy: 0.5012465638659012
Energy: 0.4679855078250509
Energy: 0.5317538712511329
Energy: 0.5320358518917978
Energy: 0.4567183664178259
Energy: 0.4826685819790505
Energy: 0.468168279094768
Energy: 0.45745621833464756
Energy: 0.5266699604328302
Energy: 0.527971087428206
Energy: 0.45583575459475967
Energy: 0.41213312689557446
Energy: 0.456471450440547
Energy: 0.5302288295755456
Energy: 0.5279078435294651
Energy: 0.48798162296130265
Energy: 0.4130991845063411
Energy: 0.45662619949117045
Energy: 0.45696360816088727
Energy: 0.4015056459694277
Energy: 0.46915214092927426
Energy: 0.42085565369026584
Energy: 0.45677576498371464
Energy: 0.5334944427619402
Energy: 0.4748495134093243
Energy: 0.469372077027449
Energy: 0.42043980661798375
Energy: 0.45684215444035986
Energy: 0.4902976733895857
Energy: 0.4691182010809651
Energy: 0.4685579783976996
Energy: 0.48122210780429603
Energy: 0.4236887695238918
Energy: 0.4453144527853396
Energy: 0.46922750826768067
Energy: 0.46877585821463047
Energy: 0.40170896020523295
Energy: 0.4236252594484038
Energy: 0.4808724038514295
Energy: 0.4686414538984376
Energy: 0.47024029075387774
Energy: 0.44530713660395993
Energy: 0.4238860497083871
Energy: 0.44066648876996545
Energy: 0.46859060531303676
Energy: 0.46990082789563103
Energy: 0.48669703980824364
Energy: 0.4236249520715165
Energy: 0.48807167505378757
Energy: 0.47128035496400894
Energy: 0.46995488938421665
Energy: 0.4567210701663825
Energy: 0.5003134021310205
Energy: 0.3969898669406975
Energy: 0.3985647353826788
Energy: 0.46804072189455875
Energy: 0.5267045090239476
Energy: 0.5026567652429624
Energy: 0.5420497817354406
Energy: 0.5134021201765718
Energy: 0.5548738205863412
Energy: 0.4873020749627815
Energy: 0.5233388926694464
Energy: 0.5308588402413473
Energy: 0.3975562171402502
Energy: 0.4643125777134324
Energy: 0.5227723272258565
Energy: 0.5232036754406765
Energy: 0.5198377191613217
Energy: 0.3982988218527789
Energy: 0.5032419021048384
Energy: 0.5039961616434412
Energy: 0.45666524518548385
Energy: 0.3977699698956187
Energy: 0.3983078164261003
Energy: 0.5052040122996658
Energy: 0.456303356024743
Energy: 0.5668041416162685
Energy: 0.4878551587960335
Energy: 0.45493610759796854
Energy: 0.5029145841536371
Energy: 0.4561342481547436
Energy: 0.4548589856836877
Energy: 0.45408943922159584
Energy: 0.45517574907992
Energy: 0.5027858107790836
Energy: 0.4562573722928568
Energy: 0.4854820268645239

minimum gb energy = 0.3965740523445709 eV
minimum distance =  3.07709261732892 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.1690009789859113
Energy: 0.5647414173371985
Energy: 0.5036599532503085
Energy: 0.58762328671118
Energy: 0.5701177911446638
Energy: 0.5771521337609692
Energy: 0.5864832772751998
Energy: 0.5106987559787383
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Energy: 0.5369190480036801
Energy: 0.519905049386353
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Energy: 0.5210551718071839
Energy: 0.5092995052044829
Energy: 0.5173230134730561
Energy: 0.5037079030483366
Energy: 0.5207092357761667
Energy: 0.5232287986062447
Energy: 0.5563036883769988
Energy: 0.624460274815741
Energy: 0.6104554328438007
Energy: 0.5506384572516141
Energy: 0.5288498927313867
Energy: 0.5090897146924237
Energy: 0.6244329996509154
Energy: 0.6104161397745735
Energy: 0.5413783520226845
Energy: 0.4737932603741093
Energy: 0.5325232916800826
Energy: 0.5110422943439035
Energy: 0.5313770525643099
Energy: 0.513414410209692
Energy: 0.4742171869684942
Energy: 0.52586909437909
Energy: 0.5176029715700313
Energy: 0.5192181962070342
Energy: 0.5387948281014298
Energy: 0.5354263130911256
Energy: 0.5359071503122358
Energy: 0.5047388402031467
Energy: 0.6112624312237717
Energy: 0.5188559182147555
Energy: 0.5120854004566329
Energy: 0.5224462147280672
Energy: 0.5118566925287384
Energy: 0.5628806823045494
Energy: 0.527345551407663
Energy: 0.6348090990271268
Energy: 0.600117118629766
Energy: 0.5128867878264161
Energy: 0.5754476647516045
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Energy: 0.5509302118254594
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Energy: 0.5110293285678585
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Energy: 0.5563240531367817
Energy: 0.602786209877691
Energy: 0.543499678912703
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Energy: 0.537118992535902
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Energy: 0.5496627335786376
Energy: 0.5364488616065591
Energy: 0.5078819300100278
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Energy: 0.5102078058832946
Energy: 0.5243329440706886
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Energy: 0.6221159719287267
Energy: 0.5221850154473998
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Energy: 0.6046038079513404
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Energy: 0.6090862789175281
Energy: 0.5162113234134698
Energy: 0.5066577077264856
Energy: 0.5819996764845755
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Energy: 0.5153245901287654
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Energy: 0.5201780908977254
Energy: 0.5402366231275074
Energy: 0.5137088338128073
Energy: 0.5238458623506094
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Energy: 0.5272907206310179
Energy: 0.5695502152180494
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Energy: 0.49937016395943623
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Energy: 0.5214779472675493
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Energy: 0.47288953107639714
Energy: 0.544210871973986
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Energy: 0.5371186708343478
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Energy: 0.5086973677895876
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minimum gb energy = 0.47288953107639714 eV
minimum distance =  3.18550989441791 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.4983693235004915
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Energy: 0.6266582374275798
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Energy: 0.5177678926561828
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Energy: 0.49906671405838693
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Energy: 0.5273103853027291
Energy: 0.5729066012183509
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Energy: 0.4987633293288845
Energy: 0.5692196987722195
Energy: 0.5724392447006397
Energy: 0.5538091627715263
Energy: 0.573107871532703
Energy: 0.5045060291298961
Energy: 0.5691801637460799
Energy: 0.5838860389627413
Energy: 0.5735884762104926
Energy: 0.5754241433499571
Energy: 0.5753595393240564
Energy: 0.5535519913287821
Energy: 0.5585895841556883
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Energy: 0.5349938475371232
Energy: 0.5351352895495334
Energy: 0.5543233906579138
Energy: 0.5169196315629666
Energy: 0.5669034493787682
Energy: 0.5448413260742371
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Energy: 0.5521210198665495
Energy: 0.5172185440111224
Energy: 0.5537137463503602
Energy: 0.5054494319317849
Energy: 0.5731406922677974
Energy: 0.5732516184606861
Energy: 0.5543234454502306
Energy: 0.6191460252617926
Energy: 0.5268529805112286
Energy: 0.5393436188792663
Energy: 0.5537328725263587
Energy: 0.5508132227571595
Energy: 0.6254824614544874
Energy: 0.5272283537166799
Energy: 0.5369709413808769
Energy: 0.5773753465157556
Energy: 0.5536211130454595
Energy: 0.5768276973538686
Energy: 0.5833490844669902
Energy: 0.5531967356675231
Energy: 0.5628680013446618
Energy: 0.5767475225385684
Energy: 0.5983995105770816
Energy: 0.5834798604226895
Energy: 0.5790937444166583
Energy: 0.5612101813567927
Energy: 0.5760245731254048
Energy: 0.5784415564893445
Energy: 0.5613315382782316
Energy: 0.5238279675885263
Energy: 0.49919961717723516
Energy: 0.5536968841864213
Energy: 0.5057256872341824
Energy: 0.49882525791886706
Energy: 0.49991658121120386
Energy: 0.49918899257993343
Energy: 0.5776341647426709
Energy: 0.5163577776173914
Energy: 0.49832294899395113
Energy: 0.49928581733921756
Energy: 0.499218297825225
Energy: 0.49812076717575504
Energy: 0.4950984314260588
Energy: 0.4982990183847717
Energy: 0.5236788640987705
Energy: 0.4991408317669526
Energy: 0.565015884157554

minimum gb energy = 0.4950984314260588 eV
minimum distance =  3.11555699401798 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.7279819575879256
Energy: 0.5042662436493911
Energy: 0.5036930476755235
Energy: 0.5044526516760443
Energy: 0.4982915961271682
Energy: 0.5675755276698186
Energy: 0.5042160857440745
Energy: 0.5037344649371714
Energy: 0.5050000769430268
Energy: 0.49805803552692784
Energy: 0.5399241211522917
Energy: 0.5399658382548234
Energy: 0.5037928302611769
Energy: 0.5416858396523133
Energy: 0.5421597689415119
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Energy: 0.5396780458752695
Energy: 0.5406834612965393
Energy: 0.541879333029377
Energy: 0.5406331188357938
Energy: 0.5041714308222314
Energy: 0.5770895833234525
Energy: 0.5402045429765125
Energy: 0.5033414770765564
Energy: 0.5742999089418603
Energy: 0.5040404827797849
Energy: 0.5424373055282912
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Energy: 0.5406237156742835
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Energy: 0.5023954525863247
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Energy: 0.5422299486274925
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Energy: 0.5035923114253303
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Energy: 0.49852473698479943
Energy: 0.5786400291842425
Energy: 0.5036167650396649
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Energy: 0.5429732318626975
Energy: 0.5395754813577164
Energy: 0.5786605968656089
Energy: 0.5415036431469703
Energy: 0.5409751459334211
Energy: 0.5429373970141441
Energy: 0.5399888604300599
Energy: 0.576200995073745
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Energy: 0.5038164361255464
Energy: 0.5414081532370577
Energy: 0.5746519025672784
Energy: 0.5043465023767432
Energy: 0.5036384554033915
Energy: 0.5035923181940383
Energy: 0.5763651418451538
Energy: 0.4979343226103497
Energy: 0.5048877477642938
Energy: 0.5404278248483725
Energy: 0.543628526321177
Energy: 0.5442001759518714
Energy: 0.49870125449565694
Energy: 0.5039797722506932
Energy: 0.5403234080767928
Energy: 0.5436406174940577
Energy: 0.5431176800475038
Energy: 0.5484870802881976
Energy: 0.5724591228073769
Energy: 0.5020876363775147
Energy: 0.5048613081739586
Energy: 0.5397564346884002
Energy: 0.5038819141736681
Energy: 0.5723665089135518
Energy: 0.5020350515822122
Energy: 0.5050028001829955
Energy: 0.540162451425447
Energy: 0.5039846067239176
Energy: 0.5423857282462373
Energy: 0.5403161008093491
Energy: 0.5050862019196045
Energy: 0.49845389702381404
Energy: 0.5402051207843553
Energy: 0.5811389409619611
Energy: 0.5401376333195834
Energy: 0.5047510242572982
Energy: 0.49917548198275424
Energy: 0.5401267569380709
Energy: 0.4985021235190782
Energy: 0.5452353426287352
Energy: 0.5045741173482998
Energy: 0.5038931199543708
Energy: 0.5398808813958265
Energy: 0.5384213210407698
Energy: 0.543004079906636
Energy: 0.5424400424551129
Energy: 0.5040459441434162
Energy: 0.5396719408636381

minimum gb energy = 0.49743088133307917 eV
minimum distance =  3.13259670843021 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.47088747135585146
Energy: 0.45025518270590037
Energy: 0.45930443695906265
Energy: 0.45120516369638636
Energy: 0.4375178747245388
Energy: 0.47011554424597146
Energy: 0.4492225056652145
Energy: 0.4604875121393117
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Energy: 0.5143126694882056
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Energy: 0.4767404585665544
Energy: 0.4885847758923048
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Energy: 0.48373595590898655
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Energy: 0.5130101438748665
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Energy: 0.4991856212627312
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Energy: 0.5134218766748921
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Energy: 0.5147460631520999
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Energy: 0.4949800120374249
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Energy: 0.5036426253790238
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Energy: 0.5082206129550852
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Energy: 0.49575639487004797
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Energy: 0.4938094443502654
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Energy: 0.47728929295170774
Energy: 0.49053595034800557
Energy: 0.5097763874512553
Energy: 0.44629536878900994
Energy: 0.44812399172876766
Energy: 0.478628218285623
Energy: 0.4490138674329508
Energy: 0.5033498360679336
Energy: 0.47624763313428253
Energy: 0.4797198857347386
Energy: 0.4567930191123423
Energy: 0.4565115504782237
Energy: 0.4837510306269691
Energy: 0.4626655037087545
Energy: 0.4457553121414781
Energy: 0.4577909824286513
Energy: 0.4566065090501522
Energy: 0.4957732750401382
Energy: 0.4571126944642685
Energy: 0.4788190959373505
Energy: 0.460624073047544
Energy: 0.5152607457406088
Energy: 0.5156492445319979
Energy: 0.47067865938491366
Energy: 0.45729807034033926
Energy: 0.4453210999539931
Energy: 0.4982133071228892
Energy: 0.49863458618129847
Energy: 0.4752453783152461
Energy: 0.44821004127237857
Energy: 0.4849062352618257
Energy: 0.4894140444781762
Energy: 0.4544178480208945
Energy: 0.47456424966603916
Energy: 0.4753244811911963
Energy: 0.44733540776188574
Energy: 0.47338184080284285
Energy: 0.4544083303365782
Energy: 0.47133342385703825
Energy: 0.4699998279609389
Energy: 0.46852447151498405

minimum gb energy = 0.4375178747245388 eV
minimum distance =  3.16914658643218 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.44726098618126947
Energy: 0.30449967015940577
Energy: 0.30139853461770194
Energy: 0.30151554699227906
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Energy: 0.28964912150802624
Energy: 0.2882744940885728
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Energy: 0.2379486437549918
Energy: 0.23713457914635772
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Energy: 0.3260435020596332
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Energy: 0.2833656650275724
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Energy: 0.3243577510933994
Energy: 0.30165927069146903
Energy: 0.30240003782696534
Energy: 0.23365265389562997
Energy: 0.3688298256204474
Energy: 0.3971221137009967
Energy: 0.3016759058590719
Energy: 0.30141118309763854
Energy: 0.36405596056369266
Energy: 0.30152968473775305
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Energy: 0.31298032024515526
Energy: 0.2604205315903677
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Energy: 0.3030651126207056
Energy: 0.36120055597676176
Energy: 0.34320428163617533
Energy: 0.3120816010457568
Energy: 0.31736884073195887
Energy: 0.3192741028637231
Energy: 0.30223184898622585
Energy: 0.26188928415952
Energy: 0.2610204309879011
Energy: 0.30430665320428885
Energy: 0.3543507699583573
Energy: 0.31137910118760376
Energy: 0.31007341408813527
Energy: 0.31341218221069844
Energy: 0.3561518296616272
Energy: 0.3064496913558241
Energy: 0.31457489416672396
Energy: 0.3018840157838549
Energy: 0.3604755333996516
Energy: 0.30246406963191014
Energy: 0.3016954096308636
Energy: 0.347675131418356
Energy: 0.3011017616841655
Energy: 0.34773120469763863
Energy: 0.31344035325505315
Energy: 0.3376638015662579
Energy: 0.3712051885538979
Energy: 0.39779049695484325
Energy: 0.3703418154398563
Energy: 0.3014975249766447
Energy: 0.3554742600559935
Energy: 0.3717226572602229
Energy: 0.25766933742650044
Energy: 0.30356149849859293
Energy: 0.30110083449726543
Energy: 0.3306926341037048
Energy: 0.29936421062962654

minimum gb energy = 0.23365265389562997 eV
minimum distance =  3.25145092796779 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.43914269050130594
Energy: 0.43043332446848137
Energy: 0.4275524529501678
Energy: 0.4297237465494744
Energy: 0.4275053007517202
Energy: 0.4276280510186298
Energy: 0.43020853583588653
Energy: 0.43069252061654334
Energy: 0.43941524720983505
Energy: 0.4300724559159932
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Energy: 0.43182084031585866
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Energy: 0.4278630605661807
Energy: 0.43621249094776826
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Energy: 0.43181212791126977
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Energy: 0.4319346582029838
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Energy: 0.434111567650429
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Energy: 0.4326548515862521
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Energy: 0.4345768329703319
Energy: 0.4282148375417798
Energy: 0.42848172020156367
Energy: 0.43435181909373827
Energy: 0.43195331655499064
Energy: 0.4346949434960478
Energy: 0.42832829837986147
Energy: 0.428258731716487
Energy: 0.434535149392804
Energy: 0.4495021415787443
Energy: 0.4284467843239768
Energy: 0.43062657134408094
Energy: 0.4331953413299443
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Energy: 0.43155556193793965
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Energy: 0.43087879282152713
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Energy: 0.4292785711843074
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Energy: 0.44116727598103767
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Energy: 0.4275817034934911
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Energy: 0.42657084472129997
Energy: 0.43343409611527195
Energy: 0.43641214838840175
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Energy: 0.433060592189824
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Energy: 0.4319134379286516
Energy: 0.4248414593810822
Energy: 0.4329987855181144
Energy: 0.4304652326177357
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Energy: 0.4274687257821724
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Energy: 0.43557839613804966
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Energy: 0.43742504433255713
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Energy: 0.43057022367013537
Energy: 0.43040454903083974
Energy: 0.4349542831253473
Energy: 0.43340183159496004

minimum gb energy = 0.41918458661881497 eV
minimum distance =  3.18417057669321 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.5756574727541542
Energy: 0.5777130761387901
Energy: 0.5866919070473083
Energy: 0.578092511051819
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Energy: 0.595040882330521
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Energy: 0.5826156380807944
Energy: 0.5753959674084542
Energy: 0.5816639235416086
Energy: 0.5627920668440846
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Energy: 0.5832098745921214
Energy: 0.5759400711354599
Energy: 0.5804103278205336
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Energy: 0.5632880077205729
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Energy: 0.5820280405020262
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Energy: 0.5813353386526919
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Energy: 0.5816903556533671
Energy: 0.5830983637145468
Energy: 0.5813655742275368
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Energy: 0.5517626883165595
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Energy: 0.5831000958033408
Energy: 0.58200461120874
Energy: 0.5820073467328171
Energy: 0.576809099412265
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Energy: 0.5820792338786026
Energy: 0.5759557172264134
Energy: 0.5780009972426058
Energy: 0.5814952520428074
Energy: 0.5513637098390524
Energy: 0.5678483765647289
Energy: 0.5955288318705131
Energy: 0.5814995064828444
Energy: 0.5853849702980213
Energy: 0.5514590043333262
Energy: 0.5677095263964901
Energy: 0.595339337664085
Energy: 0.5607296528069864
Energy: 0.5623724683923137
Energy: 0.5952716113783395
Energy: 0.5677918148648126
Energy: 0.5632172255448457
Energy: 0.5796411438858944
Energy: 0.5817261541243575
Energy: 0.5815179774276921
Energy: 0.5676607641088746
Energy: 0.562336686508806
Energy: 0.581781734113905
Energy: 0.5816991564099016
Energy: 0.5872055260562646
Energy: 0.5782868225626795
Energy: 0.5625905487708301
Energy: 0.5625784371187006
Energy: 0.5817435862096203
Energy: 0.5859499185448837
Energy: 0.5782306299802307
Energy: 0.56250508857111
Energy: 0.5626012328274134
Energy: 0.5814896628644765

minimum gb energy = 0.5479047958169353 eV
minimum distance =  3.19340439405342 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.6326638665241437
Energy: 0.6451028049030201
Energy: 0.6686354502760473
Energy: 0.643746627150874
Energy: 0.6492996623747227
Energy: 0.6327545939124875
Energy: 0.6448641270792986
Energy: 0.6512167055029359
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Energy: 0.6488905730060325
Energy: 0.6403594718696237
Energy: 0.6429817031913884
Energy: 0.6368795597399215
Energy: 0.6376772953407092
Energy: 0.642358105634192
Energy: 0.6507361026568963
Energy: 0.6432920839696824
Energy: 0.6357155213694737
Energy: 0.6384103936208642
Energy: 0.6436042866201703
Energy: 0.6378778410539443
Energy: 0.6375629726476453
Energy: 0.6429989763765196
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minimum gb energy = 0.6222730966774401 eV
minimum distance =  3.17474865062138 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.6635088974362623
Energy: 0.6365445767221909
Energy: 0.6442377963133679
Energy: 0.6543111632790773
Energy: 0.6364605637056607
Energy: 0.6555263876681021
Energy: 0.6730114662581137
Energy: 0.656285951502856
Energy: 0.6550452415963525
Energy: 0.6365620324426925
Energy: 0.6554032845649541
Energy: 0.6729473463161413
Energy: 0.6369978714866125
Energy: 0.6569858847111711
Energy: 0.6913276991694066
Energy: 0.6362906115044105
Energy: 0.6732036047706329
Energy: 0.6372567004218643
Energy: 0.6919836954997453
Energy: 0.6827997270957062
Energy: 0.63687281935095
Energy: 0.6530010869882077
Energy: 0.6669503553123851
Energy: 0.6728117013148227
Energy: 0.6376134412957274
Energy: 0.642513949831371
Energy: 0.6731244209936044
Energy: 0.6451366947237062
Energy: 0.6729983368988338
Energy: 0.637992541005339
Energy: 0.6430402324971571
Energy: 0.6730420882595871
Energy: 0.6225452205836375
Energy: 0.6538307236554153
Energy: 0.6394873814265989
Energy: 0.635871001418771
Energy: 0.645830351461614
Energy: 0.6208360828096512
Energy: 0.6539750078226353
Energy: 0.639637320074416
Energy: 0.6356549384872673
Energy: 0.6449468312334469
Energy: 0.6358154052945271
Energy: 0.6363281869820704
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Energy: 0.6367565791805658
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Energy: 0.6365499821520043
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Energy: 0.6620157399735741
Energy: 0.6600364386825044
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Energy: 0.6390615289596765
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Energy: 0.6610270057586279
Energy: 0.6244888635247091
Energy: 0.6235621039604485
Energy: 0.6387646188773648
Energy: 0.6361920659495632
Energy: 0.6368551448302524
Energy: 0.6665543482662687
Energy: 0.6374963370078812
Energy: 0.6406586385107003
Energy: 0.6366579368976468
Energy: 0.637378510002558
Energy: 0.635745878480988
Energy: 0.6377111046344935
Energy: 0.6402740575301297
Energy: 0.6362629878394451
Energy: 0.6777893044110778
Energy: 0.6348576133337995
Energy: 0.6551265031762871
Energy: 0.6369129446999342
Energy: 0.6546941099477454
Energy: 0.6362096602964433
Energy: 0.635333367733538
Energy: 0.6546211195787364
Energy: 0.6372815765314168
Energy: 0.6545450935492765
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Energy: 0.6452520629855827
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Energy: 0.6737023379188558
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Energy: 0.6373621960507709
Energy: 0.6573230211774171
Energy: 0.6369296603797936
Energy: 0.6726700349924053
Energy: 0.6576392407510091
Energy: 0.6611730736384673
Energy: 0.6578161690762717
Energy: 0.6744395856250834
Energy: 0.6731053203325478
Energy: 0.6574941571452546
Energy: 0.6463596661853939
Energy: 0.6414120498541601
Energy: 0.63804317177666
Energy: 0.6902353164450413
Energy: 0.6443818543632658
Energy: 0.6367630274233581
Energy: 0.6408318396780105
Energy: 0.6362267015035401
Energy: 0.6461357840209709
Energy: 0.6442214674054303
Energy: 0.6370154359370417
Energy: 0.6384748648200244
Energy: 0.6367070157813313
Energy: 0.622670202513278
Energy: 0.6220588486276611
Energy: 0.6414486277677248
Energy: 0.6381809704123927
Energy: 0.6551775476441111
Energy: 0.6229370061767765
Energy: 0.6222331449588192
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Energy: 0.660129044372073
Energy: 0.6354020552068477
Energy: 0.6407157101239963
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Energy: 0.6585952527661559
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Energy: 0.6356018413631211
Energy: 0.6589158515029975
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Energy: 0.6358867147748226
Energy: 0.6619055369147449
Energy: 0.6372636519557533
Energy: 0.6587122698645689
Energy: 0.6380180397016436
Energy: 0.635439660713277
Energy: 0.6602167273014176
Energy: 0.6369575616768345
Energy: 0.6250183727108696
Energy: 0.6365218337822017
Energy: 0.6596442884801599
Energy: 0.6483861496150404
Energy: 0.6236342458340177
Energy: 0.6480170727432245
Energy: 0.6363782423575389
Energy: 0.6789334287543967
Energy: 0.6305334687974419
Energy: 0.6250402601968198
Energy: 0.6724756051242481
Energy: 0.6366115170728791
Energy: 0.6371362234045242
Energy: 0.6474224607112629
Energy: 0.6248151452748371
Energy: 0.6388469599151649
Energy: 0.6360313166814636
Energy: 0.6376424920701704
Energy: 0.6479474927444744
Energy: 0.6245527835184586
Energy: 0.6380708977433028
Energy: 0.6404957345398079
Energy: 0.6355995800072791
Energy: 0.6371245198996991
Energy: 0.6355334911876565
Energy: 0.6385776260299543
Energy: 0.6409409968881741
Energy: 0.6356085589787239
Energy: 0.6362019749868403
Energy: 0.6361623554091697
Energy: 0.6543424697128922
Energy: 0.6573616851874342
Energy: 0.6551297289167312
Energy: 0.6350203828335009
Energy: 0.6363248624825514
Energy: 0.6371104070726207
Energy: 0.6573709490251726
Energy: 0.6556079695137458
Energy: 0.6349684890978406
Energy: 0.6355641227000061
Energy: 0.6369703225765949
Energy: 0.653861075979327
Energy: 0.6738800382386319
Energy: 0.6363971527330008
Energy: 0.6728705658055492
Energy: 0.6453915380883705
Energy: 0.6544679676453851
Energy: 0.6739146689178472
Energy: 0.659134787201082
Energy: 0.6726762937009021
Energy: 0.6365112407602809
Energy: 0.6578599488567688
Energy: 0.640887700435202
Energy: 0.636673063733566
Energy: 0.6726708504478984
Energy: 0.6365212589274609
Energy: 0.6579261850618576
Energy: 0.6414179836243509
Energy: 0.6370111536019188
Energy: 0.6734782510576391
Energy: 0.6222334288949597
Energy: 0.6376520592651774
Energy: 0.6370608051199449
Energy: 0.6411294545482256
Energy: 0.6744671985243328
Energy: 0.6829638249818041
Energy: 0.6374834846194776
Energy: 0.6372105957793118
Energy: 0.6420138015939814
Energy: 0.6919774043352923

minimum gb energy = 0.6208360828096512 eV
minimum distance =  3.18684390116597 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.6223560029986083
Energy: 0.6345746053753795
Energy: 0.68238670734227
Energy: 0.6336417740567822
Energy: 0.6314494978561955
Energy: 0.6220006013059038
Energy: 0.6348159328425284
Energy: 0.6819355847820812
Energy: 0.6340096935405959
Energy: 0.6298296494021504
Energy: 0.6762085024023065
Energy: 0.6337069194100058
Energy: 0.6339412330565741
Energy: 0.6339880433786875
Energy: 0.6342992709802875
Energy: 0.6745454401235065
Energy: 0.6339755483027002
Energy: 0.6283802480692947
Energy: 0.6342920326756533
Energy: 0.6344905575392763
Energy: 0.6339478664843169
Energy: 0.6340905581970907
Energy: 0.6333657493937573
Energy: 0.6341353834902176
Energy: 0.672866953264193
Energy: 0.6343701364852541
Energy: 0.6339950032194525
Energy: 0.6335025690842029
Energy: 0.6802284555247776
Energy: 0.674438547632661
Energy: 0.6796140671511014
Energy: 0.6240340693871532
Energy: 0.6273086047793287
Energy: 0.6343243092442604
Energy: 0.6756009685110795
Energy: 0.6808371243484894
Energy: 0.6233746042392048
Energy: 0.6290600603220453
Energy: 0.634158262626066
Energy: 0.6244471076587799
Energy: 0.6340676032689837
Energy: 0.6301493526437743
Energy: 0.6232803855174959
Energy: 0.6338176192159043
Energy: 0.6340143428412908
Energy: 0.6342170331701488
Energy: 0.6282382748382002
Energy: 0.6240988004436532
Energy: 0.6338087338401324
Energy: 0.6337372480966936
Energy: 0.6339403706124803
Energy: 0.6796653255578721
Energy: 0.635120533894775
Energy: 0.6338299852149333
Energy: 0.630133915303957
Energy: 0.6340052657824145
Energy: 0.6809657932447978
Energy: 0.6346434062613017
Energy: 0.6333527160295531
Energy: 0.631813374443984
Energy: 0.682612696821548
Energy: 0.6240313462949627
Energy: 0.6345151611717718
Energy: 0.6338289214636751
Energy: 0.6339094536575413
Energy: 0.6827845217825028
Energy: 0.6235755900591258
Energy: 0.6344198072876557
Energy: 0.6336477586140192
Energy: 0.6336926178314456
Energy: 0.6347441199318877
Energy: 0.6721241738528949
Energy: 0.6342472213546381
Energy: 0.6229371861323317
Energy: 0.6316144217560625
Energy: 0.6348224468423951
Energy: 0.6716332310598867
Energy: 0.6334646912548383
Energy: 0.6226495771154071
Energy: 0.632672307138149
Energy: 0.6335325337679777
Energy: 0.6276123475588503
Energy: 0.6339884374684888
Energy: 0.6262533026126096
Energy: 0.6761540841809388
Energy: 0.6333488502131106
Energy: 0.6340179700982725
Energy: 0.6340063429251488
Energy: 0.6253978400186432
Energy: 0.6783099668478293
Energy: 0.6334150302313067
Energy: 0.6333254456025497
Energy: 0.6716672225978114
Energy: 0.681743603073146
Energy: 0.6331292490151209
Energy: 0.6330010270327509
Energy: 0.633111935978872
Energy: 0.6717151187223014
Energy: 0.6371657875486141
Energy: 0.6337996728991937
Energy: 0.6245861281690683
Energy: 0.6348598984323577
Energy: 0.6321583924493802
Energy: 0.6335923167411966
Energy: 0.6768897660875294
Energy: 0.6254484026046668
Energy: 0.634743596863074
Energy: 0.6235513634515945
Energy: 0.634157049343288
Energy: 0.6756889941512102
Energy: 0.6217543918269646
Energy: 0.6345066213154393
Energy: 0.6826946102760271
Energy: 0.6335101332849075
Energy: 0.6318371257916225
Energy: 0.6220181468615007
Energy: 0.634743357448338
Energy: 0.6819366948458373
Energy: 0.6338719355775905
Energy: 0.6302317318427423
Energy: 0.6764431190203257
Energy: 0.633621254352923
Energy: 0.6339477397359683
Energy: 0.6340263304390058
Energy: 0.6340280372619855
Energy: 0.674779523445669
Energy: 0.6337920727540068
Energy: 0.6280432885285685
Energy: 0.6342082954168012
Energy: 0.6343688741382288
Energy: 0.6338402745158866
Energy: 0.634110928191034
Energy: 0.6332837820294791
Energy: 0.6820957365284177
Energy: 0.6727873642186004
Energy: 0.63427139430222
Energy: 0.6340619301155928
Energy: 0.6334479018092182
Energy: 0.6807832641400579
Energy: 0.6741435767245119
Energy: 0.6788078922917635
Energy: 0.624174269175249
Energy: 0.6271569423507921
Energy: 0.6344320232275144
Energy: 0.6755329688051925
Energy: 0.6802313643302201
Energy: 0.6234725543959855
Energy: 0.6287958132298814
Energy: 0.6343212027087709
Energy: 0.6738005632294928
Energy: 0.634023526381336
Energy: 0.6305363629784732
Energy: 0.6231369846598297
Energy: 0.6337464345797489
Energy: 0.6340463606734116
Energy: 0.6343004075647458
Energy: 0.6286798725404021
Energy: 0.6238433823989303
Energy: 0.6336956018635864
Energy: 0.6337589052147669
Energy: 0.6339159228984621
Energy: 0.6795380332059157
Energy: 0.6349985320814723
Energy: 0.6339700271681505
Energy: 0.6297866647726265
Energy: 0.6339490839625248
Energy: 0.6809196325621911
Energy: 0.6348239163515146
Energy: 0.633415218723983
Energy: 0.6314319627731256
Energy: 0.6833811016006385
Energy: 0.6240651980376971
Energy: 0.6345014799150736
Energy: 0.6338132168869164
Energy: 0.6338771046302759
Energy: 0.6835535540707361
Energy: 0.6235828761821637
Energy: 0.6345029207442808
Energy: 0.6336875757815781
Energy: 0.633829120450983
Energy: 0.6349213193168756
Energy: 0.6722429476965197
Energy: 0.6342263636771251
Energy: 0.623082212641195
Energy: 0.6312278477060194
Energy: 0.6350871626689641
Energy: 0.6716737813906762
Energy: 0.6334807889205523
Energy: 0.622727828465026
Energy: 0.632371336345931
Energy: 0.633584645088617
Energy: 0.6279321512845241
Energy: 0.6341243183246825
Energy: 0.6263189012528582
Energy: 0.6762856472660266
Energy: 0.6334003582682255
Energy: 0.6340639984330426
Energy: 0.6340216813684652
Energy: 0.6254493748586558
Energy: 0.6339006645674936
Energy: 0.6335794659602946
Energy: 0.6332923650105449
Energy: 0.6716504075193358
Energy: 0.682030527213101
Energy: 0.6338522369507809
Energy: 0.6330745915688303
Energy: 0.6331643746363448
Energy: 0.671660852793929
Energy: 0.6353093856667473
Energy: 0.6338139955265676
Energy: 0.6244014541061526
Energy: 0.6348287127428387
Energy: 0.6323296332599815
Energy: 0.6819626884438144
Energy: 0.6769986865303672
Energy: 0.6252670528635115
Energy: 0.6347659963200105
Energy: 0.6235312396158825
Energy: 0.63574217762918
Energy: 0.6755968317126269

minimum gb energy = 0.6217543918269646 eV
minimum distance =  3.15708349533999 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.6071226740965322
Energy: 0.6546656211887337
Energy: 0.6692669910287457
Energy: 0.6263091869467317
Energy: 0.671573836635902
Energy: 0.6061447303088603
Energy: 0.6700283958293091
Energy: 0.6769096107221996
Energy: 0.6342872775155126
Energy: 0.6185431730576492
Energy: 0.6120255562499396
Energy: 0.6433581103872015
Energy: 0.630891393751622
Energy: 0.6525086217440764
Energy: 0.6627799463101095
Energy: 0.6036687467011393
Energy: 0.644869392916221
Energy: 0.6306719257461831
Energy: 0.6494799980065405
Energy: 0.6348518401075914
Energy: 0.6843387409026431
Energy: 0.6176209275994103
Energy: 0.6089511842764499
Energy: 0.6437423124144468
Energy: 0.6263592926934715
Energy: 0.6798037013600693
Energy: 0.6237816398801033
Energy: 0.608476467584404
Energy: 0.6428276700547241
Energy: 0.6101957547149013
Energy: 0.6113448696309531
Energy: 0.6462922848884897
Energy: 0.6397719193178503
Energy: 0.679410986064618
Energy: 0.6029027178067756
Energy: 0.6042007757235159
Energy: 0.6618478316747979
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Energy: 0.6853609114680995
Energy: 0.6101700217193243
Energy: 0.6409987819227893
Energy: 0.679195361593117
Energy: 0.6055373303435537
Energy: 0.6082137749170858
Energy: 0.660097683651833
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Energy: 0.6611554004193309
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Energy: 0.6075749325986897
Energy: 0.6075199601450925
Energy: 0.695607274965741
Energy: 0.71390354008227
Energy: 0.6125725631702057
Energy: 0.6083324669846093
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Energy: 0.6928299533871847
Energy: 0.7121416217951234
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Energy: 0.6083380813365304
Energy: 0.6242684111084669
Energy: 0.6850884644326579
Energy: 0.6091403943262754
Energy: 0.6083962299011899
Energy: 0.6080038681716468
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Energy: 0.7031489802714207
Energy: 0.6173782445495788
Energy: 0.6070853129791941
Energy: 0.6396273465317436
Energy: 0.6058632889430029
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Energy: 0.6072859723832645
Energy: 0.6332484161437977
Energy: 0.6056266325216764
Energy: 0.6584813691188556
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Energy: 0.6019737912120943
Energy: 0.6636957479530337
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Energy: 0.6072842073080712
Energy: 0.6076349434544925
Energy: 0.691401578515656
Energy: 0.6714881522563296
Energy: 0.606631319253789
Energy: 0.6081161872734276
Energy: 0.6438077994673015
Energy: 0.6298893863019435
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Energy: 0.6020836559410778
Energy: 0.6086716332132124
Energy: 0.6466646918359555
Energy: 0.6309934279307714
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Energy: 0.6175506680908918
Energy: 0.6513517556047889
Energy: 0.6455468159594082
Energy: 0.6274768408540163
Energy: 0.6150367619000915
Energy: 0.6158317425417255
Energy: 0.6811427192410524
Energy: 0.6068102352266331
Energy: 0.6280889614225409
Energy: 0.6275517798237379
Energy: 0.6161153302868743
Energy: 0.7421595654347967
Energy: 0.6275656973161581
Energy: 0.6673858364944403
Energy: 0.6029219733577713
Energy: 0.643100354006264
Energy: 0.6257449320183295
Energy: 0.6233750730789532
Energy: 0.6023977546940853
Energy: 0.6023952562806882
Energy: 0.6579940182578141
Energy: 0.6710565561188264
Energy: 0.6129066575269054
Energy: 0.6051299057700791
Energy: 0.6566288917781025
Energy: 0.6328330988393857
Energy: 0.6718380458730874
Energy: 0.6031189917657984
Energy: 0.6059814861141007
Energy: 0.6573807488135532
Energy: 0.6620392431219789
Energy: 0.652194639894826
Energy: 0.6514540642929573
Energy: 0.6853467419673006
Energy: 0.6407438573246529
Energy: 0.6452435182871007
Energy: 0.6513813516731328
Energy: 0.6142752962199064
Energy: 0.6871209567883914
Energy: 0.6448138769958036
Energy: 0.6454768804167252
Energy: 0.6062612780326114
Energy: 0.6155753716598076
Energy: 0.6031363813201832
Energy: 0.6352393310922653
Energy: 0.610504226552262
Energy: 0.6065998067621085
Energy: 0.6155353172184453
Energy: 0.6901127126129821
Energy: 0.6347036379199995
Energy: 0.6114020094027997
Energy: 0.6974684933150956
Energy: 0.7134010836169068
Energy: 0.6277285381068803
Energy: 0.6424838135284655
Energy: 0.6252606982038071
Energy: 0.7116280506482547
Energy: 0.6903370484407682
Energy: 0.627774226975145
Energy: 0.6289000553355291
Energy: 0.6251525893133826
Energy: 0.6038313623194798
Energy: 0.6252296827750831
Energy: 0.6543474036804156
Energy: 0.6199189116547528
Energy: 0.6298023126992169
Energy: 0.604392675289183
Energy: 0.6250462907067456
Energy: 0.6132990612815391
Energy: 0.694343813065128
Energy: 0.6054237014237938
Energy: 0.6770817866125245
Energy: 0.7057272674129761
Energy: 0.710943749475284
Energy: 0.6310262161677979
Energy: 0.6108663953452788
Energy: 0.6980080699386962
Energy: 0.7180243258836237
Energy: 0.7108025906784815
Energy: 0.6295353734792343
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Energy: 0.6080190619972177
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Energy: 0.634743070826419
Energy: 0.6020500214341709
Energy: 0.6055904025383981
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Energy: 0.6336825371505848
Energy: 0.6165286177076763
Energy: 0.6283342132978473
Energy: 0.6282714950176828
Energy: 0.6577649715860596
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Energy: 0.6287589689670646
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Energy: 0.7421140225466145
Energy: 0.671692876976192
Energy: 0.602342182843831
Energy: 0.6028626459880851
Energy: 0.6247834348028687
Energy: 0.732040530823499
Energy: 0.6580971059571692
Energy: 0.6025079937355603
Energy: 0.602545316211502
Energy: 0.6459650370273248
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Energy: 0.6407068861026072
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Energy: 0.6575631712310649
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Energy: 0.6288778817104813
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Energy: 0.6283880718849434
Energy: 0.6330614623150234
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Energy: 0.6349149344043941
Energy: 0.6106873475376998
Energy: 0.6060048426062153
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Energy: 0.6040681320567111
Energy: 0.6099494776511863
Energy: 0.6242969702113693
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Energy: 0.7138220393274056
Energy: 0.6277901751316352
Energy: 0.6992439504658524
Energy: 0.6326669395551705
Energy: 0.7031459044219568
Energy: 0.7136272718933003
Energy: 0.6277775747482393
Energy: 0.6937825404745748
Energy: 0.6004608819003356
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Energy: 0.6802658244935024
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Energy: 0.6037975238590985
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Energy: 0.6430269799079373
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Energy: 0.7062002194340471
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Energy: 0.613873480068529
Energy: 0.6097421093406695
Energy: 0.6908966985688287
Energy: 0.7358019958890805
Energy: 0.7359856089278601
Energy: 0.6348378878547734
Energy: 0.6087750916652226
Energy: 0.6067075993855879
Energy: 0.6104273669714423
Energy: 0.6311058016374207
Energy: 0.6071054970272068
Energy: 0.6107618791531774
Energy: 0.6070336743235543
Energy: 0.6217288312003603
Energy: 0.611990288777464
Energy: 0.606778429811893
Energy: 0.6119473948987086
Energy: 0.6088559822106143
Energy: 0.6069487128166444
Energy: 0.645759309158512
Energy: 0.6081799180339466
Energy: 0.6092881617097599
Energy: 0.6402447816268819
Energy: 0.6075504137105809
Energy: 0.6293432253613876
Energy: 0.607509811213094
Energy: 0.609384265607728
Energy: 0.6594021130124031
Energy: 0.6057925444969872
Energy: 0.6051912873238733
Energy: 0.6422663648835504
Energy: 0.64551262664982
Energy: 0.6480221704710011
Energy: 0.6059028095674555
Energy: 0.613267746573419
Energy: 0.6628617952169591
Energy: 0.6599956766926776
Energy: 0.6120582581380797
Energy: 0.6107300044621102
Energy: 0.650968550175929
Energy: 0.7129974646756723
Energy: 0.608821465821576
Energy: 0.6036377809066168
Energy: 0.6034733324403817
Energy: 0.6598834201710179
Energy: 0.7267008578596686
Energy: 0.6109059376421457
Energy: 0.6172222572118395
Energy: 0.6112749854122697
Energy: 0.6147099206161372
Energy: 0.6070083268081236
Energy: 0.6028082121037479
Energy: 0.6251098660381129
Energy: 0.6251033461308163
Energy: 0.6184413850737976
Energy: 0.6067585418982193
Energy: 0.6099828947240304
Energy: 0.6126085569117337
Energy: 0.6085712969983377
Energy: 0.6251186169197213
Energy: 0.7313021017449697
Energy: 0.6587651367675115
Energy: 0.605417545957044
Energy: 0.6530378299211066
Energy: 0.6251488633856561
Energy: 0.6477509834925534
Energy: 0.6716395866736483
Energy: 0.6316809725446105
Energy: 0.6709859094780288
Energy: 0.6338253034881607
Energy: 0.6249072940170852
Energy: 0.6006011576238558
Energy: 0.6190297704036221
Energy: 0.658882865710255
Energy: 0.6076137076702407
Energy: 0.6244469098625575
Energy: 0.6022031532043721

minimum gb energy = 0.5989018600250924 eV
minimum distance =  3.11899609718306 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.8640730651057815
Energy: 0.5857673107650413
Energy: 0.636161271237682
Energy: 0.6926357289891302
Energy: 0.5489829761269953
Energy: 0.6066956184766614
Energy: 0.5854792711819509
Energy: 0.6370660810905422
Energy: 0.6136670487977125
Energy: 0.6136906510850516
Energy: 0.5467527143109555
Energy: 0.6450872194298991
Energy: 0.5456167765856171
Energy: 0.680943788681899
Energy: 0.5476487833217571
Energy: 0.546283565800633
Energy: 0.5763309938419525
Energy: 0.5460426880674323
Energy: 0.6445483980062856
Energy: 0.5480176677167512
Energy: 0.6160763093744445
Energy: 0.6231748569884242
Energy: 0.5765435472504344
Energy: 0.5695747228225644
Energy: 0.547189441965463
Energy: 0.6155128612469324
Energy: 0.6238877161682366
Energy: 0.576381423484724
Energy: 0.57159776796458
Energy: 0.5467566709473595
Energy: 0.5491143835075554
Energy: 0.5486462229558348
Energy: 0.6532825325810832
Energy: 0.6154524437119413
Energy: 0.5463237019187331
Energy: 0.5723406367004692
Energy: 0.5689573717209714
Energy: 0.6530588347436147
Energy: 0.6155198294519503
Energy: 0.57577504260172
Energy: 0.5559658368946448
Energy: 0.5842838578148233
Energy: 0.5531621543801362
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Energy: 0.6081903613862224
Energy: 0.5554401986289838
Energy: 0.5841173000524916
Energy: 0.5534383779484657
Energy: 0.5560472096230049
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Energy: 0.5482698309548598
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Energy: 0.5556431842410691
Energy: 0.6066113888228288
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Energy: 0.5457766879890037
Energy: 0.555878702945507
Energy: 0.6070207208456999
Energy: 0.6168553672093467
Energy: 0.6155923184969616
Energy: 0.6132605396428069
Energy: 0.5691049193726423
Energy: 0.5759507985734994
Energy: 0.6161354972383548
Energy: 0.6150378726627421
Energy: 0.615145221328087
Energy: 0.5692303669345682
Energy: 0.5761217972585491
Energy: 0.6225959036161713
Energy: 0.5473864836666896
Energy: 0.5480455568040965
Energy: 0.5692315918409422
Energy: 0.6441030183746608
Energy: 0.6232004256960244
Energy: 0.5459714266004666
Energy: 0.548213194650327
Energy: 0.5693889058756407
Energy: 0.6443515433817397
Energy: 0.5710754298782673
Energy: 0.6528209875759158
Energy: 0.5856402076760937
Energy: 0.5771004105787791
Energy: 0.5711252454957391
Energy: 0.5699851646596348
Energy: 0.5760990769702626
Energy: 0.5851943499798564
Energy: 0.546073631622344
Energy: 0.5697746729349314
Energy: 0.5890766382955582
Energy: 0.6193493878715162
Energy: 0.5461018126813961
Energy: 0.6239325473487656
Energy: 0.5846408130881916
Energy: 0.5543740283046097
Energy: 0.5514891606028259
Energy: 0.546278994712399
Energy: 0.6860193319013181
Energy: 0.5845558942412675
Energy: 0.5468033512030582
Energy: 0.5461794537236535
Energy: 0.5852095998778392
Energy: 0.6070100952475262
Energy: 0.5524422150234006
Energy: 0.5463616356950939
Energy: 0.5460266520349465
Energy: 0.5848405797872095
Energy: 0.6075665365960021
Energy: 0.5484758773985728
Energy: 0.5474943400092196
Energy: 0.5455738613871389
Energy: 0.545547469927178
Energy: 0.6282542954372693
Energy: 0.548205735299519
Energy: 0.5460618313189542
Energy: 0.5451215716858747
Energy: 0.545447188595334
Energy: 0.6483628729788665
Energy: 0.54670424990801
Energy: 0.5467115732103915
Energy: 0.549373454309135
Energy: 0.5677205160012679
Energy: 0.6434920829213109
Energy: 0.5866135778037386
Energy: 0.5472416034974186
Energy: 0.5480283171282924
Energy: 0.577579883111494
Energy: 0.6431088263977845
Energy: 0.5469408604224874
Energy: 0.5465592864131624
Energy: 0.5879304850060981
Energy: 0.6403386276382701
Energy: 0.5463564686627818
Energy: 0.5503602927132508
Energy: 0.5439755211083752
Energy: 0.5869936366910156
Energy: 0.6253616467882239
Energy: 0.5468434473451395
Energy: 0.5850474398343857

minimum gb energy = 0.5439755211083752 eV
minimum distance =  3.20856051822594 Angstroms
sigma value = 33