Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8664999604225163
cohesive_energy=4.316339488656242
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01501609122501062
Energy: 0.01565420421836295
Energy: 0.015287744942252726
Energy: 1.718418650204432
Energy: 0.015287744942252726
Energy: 0.01565420421859807
Energy: 0.015016091225480864
Energy: 0.01565420421859807
Energy: 0.01528774494204373
Energy: 1.718418650204432
Energy: 0.9100457726718174
Energy: 0.016392874781120035
Energy: 0.017496683154886124
Energy: 0.8946140914602911
Energy: 0.017496683154651003
Energy: 0.016392874781120035
Energy: 0.9100457726718174
Energy: 0.016392874780675915
Energy: 0.017496683154651003
Energy: 0.8946140914602911
Energy: 0.015016091225480864
Energy: 0.01565420421836295
Energy: 0.015287744941808607
Energy: 1.7184186502046672
Energy: 0.015287744942252726
Energy: 0.01565420421859807
Energy: 0.015016091225715986
Energy: 0.01565420421859807
Energy: 0.01528774494204373
Energy: 1.7184186502053724
Energy: 0.9100457726718174
Energy: 0.016392874780675915
Energy: 0.017496683154886124
Energy: 0.8946140914602911
Energy: 0.017496683155121245
Energy: 0.016392874780884914
Energy: 0.9100457726718174
Energy: 0.016392874780884914
Energy: 0.017496683154651003
Energy: 0.8946140914605263
Energy: 0.015016091225245743
Energy: 0.01565420421859807
Energy: 0.01528774494204373
Energy: 1.7184186502046672
Energy: 0.01528774494204373
Energy: 0.01565420421859807
Energy: 0.015016091225715986
Energy: 0.0156542042188332
Energy: 0.01528774494248785
Energy: 1.718418650204223
Energy: 0.9100457726715823
Energy: 0.016392874780884914
Energy: 0.017496683154651003
Energy: 0.8946140914602911
Energy: 0.017496683154651003
Energy: 0.016392874780884914
Energy: 0.9100457726718174
Energy: 0.016392874780884914
Energy: 0.017496683154886124
Energy: 0.8946140914605263
Energy: 0.015016091225245743
Energy: 0.01565420421859807
Energy: 0.015287744941808607
Energy: 1.718418650204432
Energy: 0.01528774494204373
Energy: 0.01565420421859807
Energy: 0.015016091225480864
Energy: 0.01565420421836295
Energy: 0.015287744942252726
Energy: 1.7184186502039878

minimum gb energy = 0.01501609122501062 eV
minimum distance =  2.34957476707864 Angstroms
sigma value = 3


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

Energy: 1.7542768976896927
Energy: 1.576990723906258
Energy: 1.5746917993241631
Energy: 1.6579545033177925
Energy: 1.576056611719443
Energy: 1.567626204200686
Energy: 1.7542768976885663
Energy: 1.5769907239090735
Energy: 1.5746917993241631
Energy: 1.6579545033161034
Energy: 1.6363594784939097
Energy: 1.49660636320642
Energy: 1.611714864329089
Energy: 1.5291101709839334
Energy: 1.5632381304044503
Energy: 1.55972327607494
Energy: 1.6363594784950362
Energy: 1.4966063632058566
Energy: 1.611714864329089
Energy: 1.5291101709822443
Energy: 1.6058918979387347
Energy: 1.538339359363053
Energy: 1.510094394165429
Energy: 1.6013602385185444
Energy: 1.5600213239544047
Energy: 1.4630305731412585
Energy: 1.6058918979426764
Energy: 1.5427129847985497
Energy: 1.510094394164866
Energy: 1.6013602385162917
Energy: 1.5027727272133025
Energy: 1.570533571746356
Energy: 1.504145806144412
Energy: 1.5490002658037794
Energy: 1.5007824419130043
Energy: 1.590120082743062
Energy: 1.5027727272116131
Energy: 1.5705335717390354
Energy: 1.5041458061438489
Energy: 1.5490002658015267
Energy: 1.5642071721947515
Energy: 1.5333831173573236
Energy: 1.5278836919156054
Energy: 1.5173876360202745
Energy: 1.5228406310431117
Energy: 1.4853970268549688
Energy: 1.5642071721936253
Energy: 1.5333831173612653
Energy: 1.5278836919144794
Energy: 1.517387636017459
Energy: 1.4963489263838126
Energy: 1.5547112009141826
Energy: 1.554700591434927
Energy: 1.5468247545539713
Energy: 1.5788947560957372
Energy: 1.538130896826001
Energy: 1.5079845083128853
Energy: 1.5547112009175612
Energy: 1.5547005914383056
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Energy: 1.5951866003246187
Energy: 1.5033307243405862
Energy: 1.5975142951810029
Energy: 1.5502731069271563
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Energy: 1.6334114054458182
Energy: 1.5745147032707705
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Energy: 1.5735756452603578
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Energy: 1.574514703268518
Energy: 1.5656141594433937
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Energy: 1.5660379534395805
Energy: 1.6205061006347643
Energy: 1.5994249290367502
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Energy: 1.6205061006347643
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Energy: 1.5950339765208705
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Energy: 1.6536473979542994
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Energy: 1.5565518846790953
Energy: 1.6871576141419011
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Energy: 1.4674514326150652
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Energy: 1.5551880019503046
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Energy: 1.5272468574667253
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Energy: 1.5755574628303015
Energy: 1.5218597494436406
Energy: 1.5551880019503046
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Energy: 1.5272468574661622
Energy: 1.5286229265160596
Energy: 1.581862528329546
Energy: 1.5035892407526898
Energy: 1.5580220135972167
Energy: 1.5393578004470483
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Energy: 1.5035892407493112
Energy: 1.55802201359778
Energy: 1.5502609478962113
Energy: 1.5808335635406616
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Energy: 1.51357064733916
Energy: 1.575344976947821
Energy: 1.5766654738713484
Energy: 1.5502609478962113
Energy: 1.5808335635417878
Energy: 1.5636746008285254
Energy: 1.513570647340286
Energy: 1.581187885357829
Energy: 1.5400955386282233
Energy: 1.5605425890880367
Energy: 1.5851803922177539
Energy: 1.6871515393448033
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Energy: 1.581187885357829
Energy: 1.5400955386287867
Energy: 1.5605425890931048
Energy: 1.5851803922143748
Energy: 1.6345717904473824
Energy: 1.5459259701253543
Energy: 1.5480256963844878
Energy: 1.4970191997013007
Energy: 1.6647387720486453
Energy: 1.5698668574946102
Energy: 1.6345717904518875
Energy: 1.5459259701281698
Energy: 1.5480256963861774
Energy: 1.497019199699611
Energy: 1.523127116105608
Energy: 1.50722293485825
Energy: 1.5761501166132286
Energy: 1.5117953630822973
Energy: 1.6190883799644842
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Energy: 1.523127116105608
Energy: 1.5072229348588129
Energy: 1.576150116615481
Energy: 1.511795363081171
Energy: 1.5503356193509643
Energy: 1.542935458017339
Energy: 1.511981785304206
Energy: 1.5489911584331182
Energy: 1.500043406888891
Energy: 1.53808305326641
Energy: 1.550335619353217
Energy: 1.5429354580150862
Energy: 1.511981785309274
Energy: 1.5489911584314286
Energy: 1.5040941059398725
Energy: 1.5544250144377203
Energy: 1.537360154044334
Energy: 1.4962182870904324
Energy: 1.538120658861558
Energy: 1.5782283821767398
Energy: 1.5040941059376198
Energy: 1.5544250144332152
Energy: 1.537360154044334
Energy: 1.4962182870870535
Energy: 1.5223871385381895
Energy: 1.569640664018302
Energy: 1.5536802095568654
Energy: 1.5641901663468292
Energy: 1.4892719438029125
Energy: 1.5132977235037088
Energy: 1.5223871385415684
Energy: 1.5696406640154865
Energy: 1.5536802095579914
Energy: 1.56419016634514
Energy: 1.5791739447388182
Energy: 1.5119144670810851
Energy: 1.5335019457213637
Energy: 1.4781528907374162
Energy: 1.5887322325210642
Energy: 1.5009589255757574
Energy: 1.5791739447382551
Energy: 1.5119144670777063
Energy: 1.5335019457224899
Energy: 1.4781528907362902
Energy: 1.5910857598941774
Energy: 1.505248649880992
Energy: 1.582314412709906
Energy: 1.6058865948462144
Energy: 1.5078184237266432
Energy: 1.5707367029590174
Energy: 1.5910857598953034
Energy: 1.5052486498804292
Energy: 1.5510781108549363
Energy: 1.6058865948467775
Energy: 1.5769337708133255
Energy: 1.5479965718822368
Energy: 1.497693444317729
Energy: 1.6451807515495482
Energy: 1.5383095359018828
Energy: 1.6058464553526348
Energy: 1.5769337708178304
Energy: 1.5479965718816735
Energy: 1.4976934443132242
Energy: 1.6451807515456063
Energy: 1.6579932147244407
Energy: 1.5759882973687707
Energy: 1.5965207038502123
Energy: 1.7161404433619096
Energy: 1.576990723907384
Energy: 1.5746917993264156
Energy: 1.657993214730635
Energy: 1.5759882973682076
Energy: 1.5965207038485232
Energy: 1.7161404433619096
Energy: 1.5291101709867494
Energy: 1.563238130408904
Energy: 1.5597232760738136
Energy: 1.636359478492784
Energy: 1.4966063632047304
Energy: 1.6117148643268364
Energy: 1.5291101709890018
Energy: 1.5632381304066516
Energy: 1.5597232760760662
Energy: 1.6363594784939097
Energy: 1.5910857598936143
Energy: 1.5600213239515892
Energy: 1.5123659667248217
Energy: 1.6058918979409869
Energy: 1.544725333284135
Energy: 1.5100943941676814
Energy: 1.5910857598941774
Energy: 1.5600213239493363
Energy: 1.4630305731423847
Energy: 1.6058918979387347
Energy: 1.5490002658004005
Energy: 1.5007824419146936
Energy: 1.58972309356205
Energy: 1.5027727272133025
Energy: 1.5705335717412878
Energy: 1.504145806144975
Energy: 1.5490002658009636
Energy: 1.5007824419101887
Energy: 1.5897230935626132
Energy: 1.5027727272138658

minimum gb energy = 1.4630305731412585 eV
minimum distance =  2.26381458912707 Angstroms
sigma value = 75


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

Energy: 1.783043976186314
Energy: 1.5624346068437038
Energy: 1.7469145363124021
Energy: 1.6719797616274024
Energy: 1.7604083896083094
Energy: 1.5367310338054394
Energy: 1.7830439761865888
Energy: 1.562434606845902
Energy: 1.7469145363113032
Energy: 1.6444439265637354
Energy: 1.582053306716246
Energy: 1.5076388849913858
Energy: 1.634859853020321
Energy: 1.6211131191672277
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Energy: 1.6266532347494278
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Energy: 1.634859853020321
Energy: 1.6357657062593747
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Energy: 1.578484178091575
Energy: 1.5484739633159648
Energy: 1.6037439722665667
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Energy: 1.5637426368235654
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Energy: 1.6018368524408537
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Energy: 1.5550057756700506
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Energy: 1.6054894244365183
Energy: 1.627100435133481
Energy: 1.6944040650688759
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Energy: 1.6002111037598268
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Energy: 1.531680132802787
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Energy: 1.6012227023749461
Energy: 1.5511396232020396
Energy: 1.6419992240740928
Energy: 1.5300604316307702
Energy: 1.5798903941200235
Energy: 1.6813104294302628
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Energy: 1.6260337077777638
Energy: 1.703769120744332
Energy: 1.6135328834839135
Energy: 1.7155601831159992
Energy: 1.598352262294953
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Energy: 1.7170684366494144
Energy: 1.6007463292257338
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Energy: 1.60073627852549
Energy: 1.6923973388941873
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minimum gb energy = 1.480072657497437 eV
minimum distance =  2.25774109748284 Angstroms
sigma value = 105


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

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Energy: 1.6575342252625738
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Energy: 1.5338530145485492
Energy: 1.6268919035328748
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Energy: 1.6465683416882704
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Energy: 1.512174524397589
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Energy: 1.4538279625775201
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Energy: 1.720986753984854
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Energy: 1.5135465376848611
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Energy: 1.794847367531892
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Energy: 1.4504138028909077
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Energy: 1.794847367531892
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Energy: 1.707348625445046
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Energy: 1.6969078930064594
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Energy: 1.5149197598796067
Energy: 1.6731431019083602
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Energy: 1.8111440013131361
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Energy: 1.5881098112274734
Energy: 1.5149197598796067
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Energy: 1.545264576675587
Energy: 1.8427349427278887
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Energy: 1.703196065295881
Energy: 1.6029095364560435
Energy: 1.5880804632061594
Energy: 1.5452645766749666
Energy: 1.842734942727269
Energy: 1.5662069780906296
Energy: 1.8789555354955414
Energy: 1.7141816202837854
Energy: 1.5349822734481393
Energy: 1.6181313074973056
Energy: 1.638811209982341
Energy: 1.494729064422894
Energy: 1.8789555354955414
Energy: 1.7141816202840956
Energy: 1.5349822734475191
Energy: 1.6181313074969954
Energy: 1.5359045785854777
Energy: 1.7776977435807648
Energy: 1.7797809218856964
Energy: 1.5896239505102931
Energy: 1.6128883176825972
Energy: 1.625607788936142
Energy: 1.5359045785867176
Energy: 1.7776977435807648
Energy: 1.7797809218860061
Energy: 1.5896239505102931
Energy: 1.6973134187684094
Energy: 1.592052582140053
Energy: 1.6397985947447486
Energy: 1.4759160012831016
Energy: 1.533213848840329
Energy: 1.65503545908772
Energy: 1.6973134187680996
Energy: 1.592052582140053
Energy: 1.6397985947447486
Energy: 1.4759160012852717
Energy: 1.5509591976926371
Energy: 1.5973081173449417
Energy: 1.5082996938639381
Energy: 1.5661026110069876
Energy: 1.8437544873935738
Energy: 1.5176810399447855
Energy: 1.5509591976926371
Energy: 1.5973081173449417
Energy: 1.5082996938642483
Energy: 1.5661026110069876
Energy: 1.5924157625914854
Energy: 1.5945656540555087
Energy: 1.5092511413814205
Energy: 1.585184302280051
Energy: 1.6690745195917143
Energy: 1.5932433163954358
Energy: 1.5924157625917954
Energy: 1.5945656540551985
Energy: 1.5092511413808005
Energy: 1.585184302280051
Energy: 1.6251957931989092
Energy: 1.7216646660179307
Energy: 1.652501540090533
Energy: 1.636938334249292
Energy: 1.6305484204574925
Energy: 1.7616865970334534
Energy: 1.6251957931989092
Energy: 1.7216646660179307
Energy: 1.652501540090533
Energy: 1.636938334249292

minimum gb energy = 1.4503078247407035 eV
minimum distance =  2.2671368363431 Angstroms
sigma value = 165


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

Energy: 1.6034212445735516
Energy: 1.859831561652493
Energy: 1.546205141876483
Energy: 1.5335826251649798
Energy: 1.5462017367309753
Energy: 1.8600005738624923
Energy: 1.6034212445735516
Energy: 1.8598315616493002
Energy: 1.546205141876483
Energy: 1.5858629823348571
Energy: 1.513129917502232
Energy: 1.5474872216881412
Energy: 1.467143420745131
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Energy: 1.4657874408244569
Energy: 1.501933989945524
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Energy: 1.5648121866837876
Energy: 1.5031667661011119
Energy: 1.5459524364354886
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Energy: 1.5815405693464135
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Energy: 1.527079788025437
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Energy: 1.5654667792351804
Energy: 1.5460859720879554
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Energy: 1.5029728631646864
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Energy: 1.4662182872622247
Energy: 1.5654667792351804
Energy: 1.479029368015177
Energy: 1.6609724977254434
Energy: 1.5134495778942678
Energy: 1.547450019964456
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Energy: 1.511776148663025
Energy: 1.4790293680141129
Energy: 1.6609724977265077
Energy: 1.5134495778942678
Energy: 1.5474500199633918
Energy: 1.5471657005980508
Energy: 1.545085900774679
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Energy: 1.5441870511391578
Energy: 1.5833715175704226
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Energy: 1.547165700599115
Energy: 1.545085900774679
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Energy: 1.5441870511391578
Energy: 1.5015073126853415
Energy: 1.5442218765008537
Energy: 1.5454355592265911
Energy: 1.5270992357622788
Energy: 1.465774826081015
Energy: 1.5022244129827254
Energy: 1.5015073126853415
Energy: 1.5442218765008537
Energy: 1.5454355592276554
Energy: 1.5270992357622788
Energy: 1.5026373557731887
Energy: 1.6023313202068048
Energy: 1.5436906313042724
Energy: 1.5031700970301285
Energy: 1.6443980546145622
Energy: 1.5828958300175984
Energy: 1.5026373557721249
Energy: 1.6023313202057408
Energy: 1.5436906313074654
Energy: 1.5031700970301285
Energy: 1.5649569792312794
Energy: 1.4671149554132004
Energy: 1.5192639705457431
Energy: 1.5130754965079
Energy: 1.50193375321214
Energy: 1.465757901369011
Energy: 1.5649569792312794
Energy: 1.467114955412136
Energy: 1.5192639705425506
Energy: 1.513075496506836
Energy: 1.5858008977159885
Energy: 1.546201736729911
Energy: 1.8600005738624923
Energy: 1.6034212445735516
Energy: 1.859831561652493
Energy: 1.546205141877547
Energy: 1.5858009029156133
Energy: 1.5462017367288468
Energy: 1.8600005738624923
Energy: 1.6034212445735516

minimum gb energy = 1.4656799553540354 eV
minimum distance =  2.27009843285395 Angstroms
sigma value = 41


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

Energy: 1.9492726600685497
Energy: 1.540535374561471
Energy: 1.3243013590100445
Energy: 1.580584816376507
Energy: 1.3241895484544908
Energy: 1.4898073211660816
Energy: 1.9492726600685497
Energy: 1.5405353745585806
Energy: 1.324301359008393
Energy: 1.5970753718420783
Energy: 1.486238837684741
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Energy: 1.3236330238199614
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Energy: 1.348846418389274
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Energy: 1.3233093007471879
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Energy: 1.5753586666852253
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Energy: 1.4886620466125953
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Energy: 1.6404239922578625
Energy: 1.3746212085919822
Energy: 1.6502773564817876
Energy: 1.323966711827998
Energy: 1.427510561869309
Energy: 1.3713277546397908
Energy: 1.3496242160098302
Energy: 1.3746212085907434
Energy: 1.6502773564805489
Energy: 1.3239667118304754
Energy: 1.4275105618684834
Energy: 1.4730293220178
Energy: 1.4766116413336687
Energy: 1.591731417686781
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Energy: 1.3676019590972257
Energy: 1.5720844554799631
Energy: 1.4730293220190387
Energy: 1.4766116413344943
Energy: 1.5917314176876067
Energy: 1.3668744327779683
Energy: 1.5035246326826897
Energy: 1.4681777906293096
Energy: 1.5246468894496017
Energy: 1.366888972534051
Energy: 1.5279863097591744
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Energy: 1.524646889449189
Energy: 1.3668889725336382
Energy: 1.585933604382736
Energy: 1.460674340422566
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Energy: 1.3242337566736557
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Energy: 1.3240283248972353
Energy: 1.5859336043798453
Energy: 1.4606743404188498
Energy: 1.5404355220406194
Energy: 1.324233756671629
Energy: 1.3492906378607818
Energy: 1.456246378334421
Energy: 1.6510294772071803
Energy: 1.3237525705476858
Energy: 1.432456091985154
Energy: 1.3668303444247645
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Energy: 1.4562463783348338
Energy: 1.6510294772075933
Energy: 1.323752570548099
Energy: 1.5401036641500294
Energy: 1.47714674795854
Energy: 1.4783783648797915
Energy: 1.5880013081170756
Energy: 1.3664981970263177
Energy: 1.36699731908232
Energy: 1.5401036641496166
Energy: 1.4771467479597786
Energy: 1.478378364877314
Energy: 1.5880013081166626
Energy: 1.3237879277872004
Energy: 1.5052402524864246
Energy: 1.4559607479822743
Energy: 1.349379057619492
Energy: 1.3670272065135383
Energy: 1.4421913044791237
Energy: 1.3237879277880262
Energy: 1.5052402524872501
Energy: 1.4559607479835128
Energy: 1.3493790576199047
Energy: 1.32396896129418
Energy: 1.5903596868525336
Energy: 1.4605977046665881
Energy: 1.4804829893143472
Energy: 1.3242799274332837
Energy: 1.7768438070120163
Energy: 1.3239689612966574
Energy: 1.5903596868517078
Energy: 1.4605977046686527
Energy: 1.4804829893139342
Energy: 1.3667152262420457
Energy: 1.534848000687405
Energy: 1.480785488860723
Energy: 1.5045966229383243
Energy: 1.323364096278291
Energy: 1.5273285049634395
Energy: 1.366715226245349
Energy: 1.534848000686166
Energy: 1.4807854888590712
Energy: 1.5045966229374987
Energy: 1.3670633505237135
Energy: 1.58747178006701
Energy: 1.4781404573995383
Energy: 1.4738410323373088
Energy: 1.5494413469338113
Energy: 1.3660529931699579
Energy: 1.367063350522888
Energy: 1.5874717800694873
Energy: 1.4781404574020154
Energy: 1.4738410323373088
Energy: 1.4409718018727333
Energy: 1.3242541538594526
Energy: 1.6274087182131771
Energy: 1.4072368402530908
Energy: 1.3490021617743202
Energy: 1.3711418081321285
Energy: 1.4409718018727333
Energy: 1.3242541538619301
Energy: 1.6274087182127643
Energy: 1.4072368402543294
Energy: 1.6495890967990021
Energy: 1.323916754678214
Energy: 1.4677344371823051
Energy: 1.4601076555374277
Energy: 1.4797246865134466
Energy: 1.516303065537135
Energy: 1.6495890968006537
Energy: 1.3239167546790398
Energy: 1.4677344371550907
Energy: 1.4601076555378405
Energy: 1.5368241835560337
Energy: 1.3668296899814378
Energy: 1.5349133018655217
Energy: 1.4804209246724418
Energy: 1.5049350509936272
Energy: 1.326082833503003
Energy: 1.5368241835556207
Energy: 1.3668296899822634
Energy: 1.5349133018618055
Energy: 1.4804209246699644

minimum gb energy = 1.3212069628836192 eV
minimum distance =  2.28446242707494 Angstroms
sigma value = 185


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

Energy: 1.748590018519361
Energy: 1.5033071755049456
Energy: 1.4300582218072335
Energy: 1.9568472250838551
Energy: 1.4947477351099536
Energy: 1.40879433867433
Energy: 1.7485900185174004
Energy: 1.5033071755010243
Energy: 1.4300582218033124
Energy: 1.956847225079934
Energy: 1.559509026532285
Energy: 1.4404992528612282
Energy: 1.3936071138300563
Energy: 1.5048079062443387
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Energy: 1.4317745766572993
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Energy: 1.4279989208332324
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Energy: 1.8667896609871548
Energy: 1.8225624423265816
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Energy: 1.5040410210216193
Energy: 1.3947709636022063
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Energy: 1.3947709636051473
Energy: 1.5181669246499676
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Energy: 1.5044162912785575
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Energy: 1.5044162912785575
Energy: 1.7137285624463274
Energy: 1.4510287824697397
Energy: 1.6579016568847094
Energy: 1.5667619316631023
Energy: 1.4325656293965758
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Energy: 1.6581158893464791
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Energy: 1.658115889343048
Energy: 1.4451919082549252
Energy: 1.4307877624004421
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Energy: 1.39359386780689
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Energy: 1.39359386780689
Energy: 1.5111482942811991
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Energy: 1.5036595358912617
Energy: 1.4330399203539026
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Energy: 1.5036595358937124
Energy: 1.433039920351452
Energy: 1.7998738093970803
Energy: 1.8657261399467677
Energy: 1.8841847968772485
Energy: 1.4318876740236717
Energy: 1.4904393819997468
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Energy: 1.8657261399472578
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Energy: 1.4318876740236717
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Energy: 1.5046541845350128
Energy: 1.3936170119362203
Energy: 1.542352858387946
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Energy: 1.610596592090938
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Energy: 1.393617011937201
Energy: 1.5423528583854953
Energy: 1.3514311611398635
Energy: 1.777099724952249
Energy: 1.4943173497730242
Energy: 1.3978557689301283
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Energy: 1.451691987476612
Energy: 1.4300582218047828
Energy: 1.8745895126821084
Energy: 1.4943173497730242
Energy: 1.3978557689301283
Energy: 1.5838648404131959
Energy: 1.5048079062428683
Energy: 1.4318047428051048
Energy: 1.6105965920924084
Energy: 1.4139831676085943
Energy: 1.4404992528612282
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Energy: 1.5048079062399273
Energy: 1.4318047428060852
Energy: 1.6105965920894676
Energy: 1.413983167607124
Energy: 1.8650626941471367
Energy: 1.432673845044736
Energy: 1.4677242109789992
Energy: 1.4279989208342125
Energy: 1.4318128647778512
Energy: 1.8841847968787189
Energy: 1.8650626941456663
Energy: 1.4326738450462064
Energy: 1.4677242109823858
Energy: 1.4279989208332324
Energy: 1.3947481520782181
Energy: 1.3931579451158271
Energy: 1.4110072884047467
Energy: 1.838942032971389
Energy: 1.43282109664373
Energy: 1.5038568380227266
Energy: 1.3947481520796885
Energy: 1.3931579451168075
Energy: 1.4110072884022962
Energy: 1.8389420329718793
Energy: 1.713728562444857
Energy: 1.8461777687084118
Energy: 1.6617417285227845
Energy: 1.5181669246499676
Energy: 1.393576796577039
Energy: 1.504416291280028
Energy: 1.7137285624443668
Energy: 1.8461777687089018
Energy: 1.6617417285237648
Energy: 1.5181669246504579
Energy: 1.4325656293995164
Energy: 1.5196381419830496
Energy: 1.483944584567375
Energy: 1.438455324942845
Energy: 1.6579016568851996
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Energy: 1.4325656293990265
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Energy: 1.483944584567375
Energy: 1.4004770647434945
Energy: 1.485522531347945
Energy: 1.5295700016260991
Energy: 1.4508605511046633
Energy: 1.4324652195371208
Energy: 1.485269917782044
Energy: 1.657954021816327
Energy: 1.4451919082534548
Energy: 1.5295700016246285
Energy: 1.450860551106624
Energy: 1.4324652195371208
Energy: 1.6136552511611528
Energy: 1.5831489773403469
Energy: 1.8448071718137105
Energy: 1.4307877624004421
Energy: 1.5049798409308441
Energy: 1.3934360385170725
Energy: 1.6136552511636035
Energy: 1.5831489773383862
Energy: 1.8448071718146906
Energy: 1.4307877623984815
Energy: 1.9082234732445333
Energy: 1.3509983855584549
Energy: 1.4757496958505376
Energy: 1.39479821016486
Energy: 1.5036595358937124
Energy: 1.4330399203504716
Energy: 1.9082234732415924
Energy: 1.3509983855613956
Energy: 1.4757496958500473
Energy: 1.39479821016584
Energy: 1.499997562480804
Energy: 1.4468353499375464
Energy: 1.4325890983375758
Energy: 1.8657261399457872
Energy: 1.8603806404379597
Energy: 1.4318876740231816
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Energy: 1.8657261399482379
Energy: 1.6340894147842409
Energy: 1.5641299818951764
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Energy: 1.3936041119354783
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Energy: 1.5641299818937062
Energy: 1.4317724340053752
Energy: 1.5048856725203552
Energy: 1.748590018519851
Energy: 1.5033071755054357
Energy: 1.4300582218003717
Energy: 1.7534510259529592
Energy: 1.4947477351153453
Energy: 1.5036989693958691
Energy: 1.7485900185178906
Energy: 1.5033071755044554
Energy: 1.4300582218038027
Energy: 1.9568472250794438
Energy: 1.5595090265337552
Energy: 1.4404992528582874
Energy: 1.393607113829566
Energy: 1.5048079062443387
Energy: 1.4318047428055949
Energy: 1.5641299818937062
Energy: 1.5595090265317948
Energy: 1.4404992528577973
Energy: 1.3936071138320167
Energy: 1.504807906241888
Energy: 1.4279989208351929
Energy: 1.4317745766577896
Energy: 1.8603806404374696
Energy: 1.8667896609891153
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Energy: 1.490819741271559
Energy: 1.4279989208322519
Energy: 1.43177457665877
Energy: 1.8603806404374696
Energy: 1.866789660988135
Energy: 1.8225624423256015
Energy: 1.4327064771108924
Energy: 1.5040410210221093
Energy: 1.3947709636017163
Energy: 1.4589722667823901
Energy: 1.3508606880361664
Energy: 1.822562442324621
Energy: 1.4327064771118727
Energy: 1.5040410210221093
Energy: 1.3947709636036767
Energy: 1.5181669246519283
Energy: 1.393576796574098
Energy: 1.5044162912785575
Energy: 1.7137285624453469
Energy: 1.8693973209084418
Energy: 1.5832591034559627
Energy: 1.5181669246489875
Energy: 1.3935767965755685
Energy: 1.5044162912780676
Energy: 1.7137285624453469
Energy: 1.4451424693569128
Energy: 1.6579016568851996
Energy: 1.5154160692372445
Energy: 1.4325656293955953
Energy: 1.5311032293469349
Energy: 1.5103695995020787
Energy: 1.429331178541846
Energy: 1.6579016568847094
Energy: 1.5154160692367542
Energy: 1.432565629398046
Energy: 1.4324780532926025
Energy: 1.4852712846137657
Energy: 1.6581158893479495
Energy: 1.4855225313499056
Energy: 1.493707703695042
Energy: 1.4508605511046633
Energy: 1.4324780532906418
Energy: 1.4852712846132754
Energy: 1.6581158893440284
Energy: 1.445191908254435
Energy: 1.4307877624009322
Energy: 1.5041843563064825
Energy: 1.3935938678059097
Energy: 1.5111482942826695
Energy: 1.4119421971567683
Energy: 1.855361676634532
Energy: 1.4307877623984815
Energy: 1.504184356308443
Energy: 1.3935938678059097
Energy: 1.5111482942811991
Energy: 1.3947982101678007
Energy: 1.5036595358912617
Energy: 1.4330399203539026
Energy: 1.7998738093907083
Energy: 1.4109164012491549
Energy: 1.4757496958466165
Energy: 1.39479821016437
Energy: 1.5036595358937124
Energy: 1.433039920351452
Energy: 1.7998738093995308
Energy: 1.8657261399457872
Energy: 1.8841847968782288
Energy: 1.4318876740231816
Energy: 1.4904393820007273
Energy: 1.4468353499380364
Energy: 1.4326266394607767
Energy: 1.8657261399457872
Energy: 1.8841847968796994
Energy: 1.431887674024652
Energy: 1.490439382003178
Energy: 1.5046541845340327
Energy: 1.3936170119367106
Energy: 1.5423528583864754
Energy: 1.351431161141824
Energy: 1.6105965920904477
Energy: 1.4317954685227623
Energy: 1.5046541845335424
Energy: 1.393617011937201
Energy: 1.5423528583854953
Energy: 1.3514311611383931

minimum gb energy = 1.3508606880337157 eV
minimum distance =  2.29697466777551 Angstroms
sigma value = 33


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

Energy: 1.5914132336883868
Energy: 1.6536717491338702
Energy: 1.4399007132576245
Energy: 1.7252173689481343
Energy: 1.4392739556861354
Energy: 1.6611028048470287
Energy: 1.5914132336865032
Energy: 1.6536717491338702
Energy: 1.439900713260046
Energy: 1.7144212533951781
Energy: 1.8815725401271306
Energy: 1.530534131882845
Energy: 1.6065382496026714
Energy: 1.5516644904616292
Energy: 1.4859177858359178
Energy: 1.5448138596663255
Energy: 1.8815725401279377
Energy: 1.5305341318855354
Energy: 1.606538249600519
Energy: 1.5516644904624362
Energy: 1.5013121147308601
Energy: 1.4434626755708826
Energy: 1.7363121023831554
Energy: 1.8732336837010688
Energy: 1.4887833551956078
Energy: 1.5160785615399288
Energy: 1.5013121147287074
Energy: 1.4434626755703444
Energy: 1.7363121023807337
Energy: 1.8732336836999923
Energy: 1.567591074303465
Energy: 1.4439075269673645
Energy: 1.5066737649717803
Energy: 1.5876702588739418
Energy: 1.643875133136905
Energy: 1.7886897250011657
Energy: 1.5675910743013124
Energy: 1.443907526966019
Energy: 1.5066737649696278
Energy: 1.5876702588736726
Energy: 1.5237295623972367
Energy: 1.4435508208722776
Energy: 1.5748371553405385
Energy: 1.788899401800831
Energy: 1.5843619440130465
Energy: 1.5875398394904972
Energy: 1.5237295623993894
Energy: 1.4435508208760446
Energy: 1.5748371553413458
Energy: 1.788899401800831
Energy: 1.8188082633719334
Energy: 1.4438716646431022
Energy: 1.5665200176678593
Energy: 1.5178467741869983
Energy: 1.488415595953469
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Energy: 1.5178467741848454
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Energy: 1.7162827341277818
Energy: 1.4398515023811504
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Energy: 1.6425492708866587
Energy: 1.5571723852109116
Energy: 1.7162827341299343
Energy: 1.4856278999975603
Energy: 1.5160990172300737
Energy: 1.9068685676049577
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Energy: 1.6043725245951486
Energy: 1.5507631790530128
Energy: 1.4856278999935244
Energy: 1.5160990172257687
Energy: 1.9068685676019979
Energy: 1.6673868684988136
Energy: 1.489262962578246
Energy: 1.5155018761918495
Energy: 1.4957362488144714
Energy: 1.4430886393825355
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Energy: 1.443088639380114
Energy: 1.5914987299874335
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Energy: 1.5065873518438262
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Energy: 1.5914987299912007
Energy: 1.4267320543900133
Energy: 1.7584291160091596
Energy: 1.4443417173156632
Energy: 1.6015530797106963
Energy: 1.587434190094265
Energy: 1.523716579409303
Energy: 1.4431076760379882
Energy: 1.5754673895300055
Energy: 1.8007426247377931
Energy: 1.6015530797104272
Energy: 1.5874341900929196
Energy: 1.523716579408496
Energy: 1.4431076760417554
Energy: 1.48811998163956
Energy: 1.6919095408765947
Energy: 1.809928484123164
Energy: 1.4439458956035753
Energy: 1.5363394288098102
Energy: 1.516706762486275
Energy: 1.4881199816382147
Energy: 1.6919095408757874
Energy: 1.809928484126931
Energy: 1.4439458956057278
Energy: 1.4867723423549974
Energy: 1.5323172739484223
Energy: 1.6133158081403267
Energy: 1.5329982102126454
Energy: 1.9002324753954356
Energy: 1.5460700382835573
Energy: 1.4867723423552663
Energy: 1.532317273947077
Energy: 1.6133158081411336
Energy: 1.5329982102118382
Energy: 1.4419017361262836
Energy: 1.5306891788407633
Energy: 1.4393389462199473
Energy: 1.6426812405734457
Energy: 1.5581053541665422
Energy: 1.7095399305983685
Energy: 1.441901736127091
Energy: 1.5306891788404942
Energy: 1.439338946218871
Energy: 1.6426812405721
Energy: 1.439278001411955
Energy: 1.5501074234266061
Energy: 1.4854325577429373
Energy: 1.5159736993693054
Energy: 1.462310974616756
Energy: 1.6671740635558157
Energy: 1.439278001412493
Energy: 1.5501074234284897
Energy: 1.4854325577461416
Energy: 1.51597369936796
Energy: 1.5069434772739037
Energy: 1.8866044228624679
Energy: 1.4897519912603563
Energy: 1.5154439733897762
Energy: 1.4940551888882398
Energy: 1.442876009312793
Energy: 1.506943477275249
Energy: 1.8866044228638135
Energy: 1.489751991259549
Energy: 1.5154439733895073
Energy: 1.5065909826168826
Energy: 1.5885421226538883
Energy: 1.591005979109838
Energy: 1.429402661691314
Energy: 1.8396312870172402
Energy: 1.4445978424743176
Energy: 1.5065909826190356
Energy: 1.5885421226514664
Energy: 1.5910059791071718
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Energy: 1.9057618450629483
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Energy: 1.4780917839025138
Energy: 1.535254633902281
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Energy: 1.559228398716152
Energy: 1.4881523236268335
Energy: 1.5152286920528364
Energy: 1.5917353318797751
Energy: 1.4267875870803373
Energy: 1.5033600481250478
Energy: 1.5155703027940572
Energy: 1.4797250117898686
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Energy: 1.90498405846352
Energy: 1.5066793675518557
Energy: 1.5874297380970048
Energy: 1.5919358503533168
Energy: 1.5810387140509037

minimum gb energy = 1.4267320543900133 eV
minimum distance =  2.24165578902088 Angstroms
sigma value = 219


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

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Energy: 1.4547469365733103
Energy: 1.4017609727371922
Energy: 1.6718465359873198
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Energy: 1.4009879799874023
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Energy: 1.3410491849394026
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Energy: 1.4009879799874023
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Energy: 1.4016864607737494
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Energy: 1.454818979084422
Energy: 1.4016864607737494
Energy: 1.4293060196770078
Energy: 1.4016185039787052
Energy: 1.6525606535454924

minimum gb energy = 1.3384099419334663 eV
minimum distance =  2.35748914791494 Angstroms
sigma value = 15


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

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Energy: 1.5246047003271603
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minimum gb energy = 1.5136108776055766 eV
minimum distance =  2.28056191782149 Angstroms
sigma value = 293


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

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Energy: 1.6452397505471523
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Energy: 1.81570887187612
Energy: 1.551634620960037
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Energy: 1.5115458747804247
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Energy: 1.6251055900990967
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Energy: 1.5832739324767773
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Energy: 1.6251055900990967
Energy: 1.6250043059321795
Energy: 1.66676647567301
Energy: 1.5247464282260195
Energy: 1.7971283506957139
Energy: 1.5005234374566712
Energy: 1.717090146064441
Energy: 1.6250043059317774
Energy: 1.66676647567301
Energy: 1.5247464282260195
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Energy: 1.6441394409049517
Energy: 1.6686297689304948
Energy: 1.6686268275252039
Energy: 1.6443464565727786
Energy: 1.5626821389501298
Energy: 1.5627672868218676
Energy: 1.6441394409053538
Energy: 1.6686297689300924
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Energy: 1.644346456573583
Energy: 1.7972365821211689
Energy: 1.5247847171228277
Energy: 1.6667742845901115
Energy: 1.6250098905913262
Energy: 1.7168195537126798
Energy: 1.5005257704495745
Energy: 1.7972365821207668
Energy: 1.5247847171240345
Energy: 1.666774284589709
Energy: 1.625009890590924
Energy: 1.6248780430323422
Energy: 1.5975880345955074
Energy: 1.5833254748378314
Energy: 1.581654154275434
Energy: 1.7014509180032984
Energy: 1.6924957527527975
Energy: 1.6248780430323422
Energy: 1.59758803459591
Energy: 1.5833254748378314
Energy: 1.5816541542758364
Energy: 1.5113428949158731
Energy: 1.6592657787355816
Energy: 1.791249266131564
Energy: 1.5823654331498416
Energy: 1.54587310562791
Energy: 1.9043015304313815
Energy: 1.5113428949154708
Energy: 1.6592657787343748
Energy: 1.791249266131564
Energy: 1.5823654331498416
Energy: 1.7087245302761425
Energy: 1.6049568645751395
Energy: 1.5019904514254183
Energy: 1.668189175976574
Energy: 1.6386860932190068
Energy: 1.6354606835122194
Energy: 1.7087245302765446
Energy: 1.6049568645735302
Energy: 1.5019904514250162
Energy: 1.6681891759777807

minimum gb energy = 1.5005234374562688 eV
minimum distance =  2.24974162406655 Angstroms
sigma value = 293


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

Energy: 1.2206746197196163
Energy: 1.3009942149517353
Energy: 1.3011183466565277
Energy: 1.9017350424622785
Energy: 1.301117788427911
Energy: 1.3954435075796936
Energy: 1.2206746197196163
Energy: 1.3009942149517353
Energy: 1.3011183466558005
Energy: 1.716118473908499
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Energy: 1.7550531237501896
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Energy: 1.898071565591811
Energy: 1.3344355836241186
Energy: 1.2206049552116636
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Energy: 1.2206490478616658
Energy: 1.3412394039759654
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Energy: 1.8501889900325352
Energy: 1.220584689284648
Energy: 1.3345945131224397
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Energy: 1.3011349971515862
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Energy: 1.3009942149517353
Energy: 1.8298678704306084
Energy: 1.3003129362801025
Energy: 1.3012782270809005
Energy: 1.7550531237494629
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Energy: 1.8055427326421367
Energy: 1.8298678704313354
Energy: 1.3003129362801025
Energy: 1.3012782270809005
Energy: 1.7550531237501896
Energy: 1.3412394039759654
Energy: 1.3012674327119842
Energy: 1.3344355836241186
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Energy: 1.8501284056379321
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Energy: 1.3345945131224397
Energy: 1.3012716119788463
Energy: 1.3412158596779926
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Energy: 1.8298122525174176
Energy: 1.8905225100647272
Energy: 1.3011362504754396
Energy: 2.180623975173634
Energy: 1.3012439519371675
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Energy: 1.3011362504747126
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Energy: 2.0720628387266804
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Energy: 1.3011349971515862
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Energy: 1.3009942149517353
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Energy: 1.716118473908499
Energy: 1.301117788427911
Energy: 1.3011349971515862
Energy: 1.3011253647516499
Energy: 1.560738604135718
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Energy: 1.3003129362793753
Energy: 1.3012782270809005
Energy: 1.7550531237494629
Energy: 1.3011253647516499
Energy: 1.8980715655910838
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Energy: 1.3003129362801025
Energy: 1.8501284056379321
Energy: 1.2206490478616658
Energy: 1.3412394039759654
Energy: 1.3012674327119842
Energy: 1.3344355836241186
Energy: 1.2206049552109364
Energy: 1.8501284056379321
Energy: 1.2206490478616658
Energy: 1.3412394039759654
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Energy: 1.3012716119788463
Energy: 1.3412158596779926
Energy: 1.2206214082999558
Energy: 1.8501889900325352
Energy: 1.220584689284648
Energy: 1.3345945131231667
Energy: 1.3012716119788463
Energy: 1.3412158596787196
Energy: 1.22062140830065
Energy: 1.3012439519371675
Energy: 1.3003242720114478
Energy: 1.8298122525174176
Energy: 1.6758240799234885
Energy: 1.3011362504754396
Energy: 2.109374543978093
Energy: 1.3012439519371675
Energy: 1.3003242720114478
Energy: 1.8298122525174176
Energy: 1.5968495491294499
Energy: 1.2206746197196163
Energy: 1.3009942149510083
Energy: 1.3011183466565277
Energy: 1.9017350424615516
Energy: 1.301117788427184
Energy: 1.3954435075804206
Energy: 1.2206746197188896
Energy: 1.3009942149517353
Energy: 1.3011183466565277
Energy: 1.716118473908499
Energy: 1.3012782270809005
Energy: 1.954636856192971
Energy: 1.3011253647516499
Energy: 1.8675211358771113
Energy: 1.8298678704306084
Energy: 1.3003129362801025
Energy: 1.3012782270809005
Energy: 1.7550531237494629
Energy: 1.3011253647516499
Energy: 1.8980715655910838
Energy: 1.3344355836233917
Energy: 1.2206049552109364
Energy: 1.8501284056379321
Energy: 1.2206490478616658
Energy: 1.3412394039759654
Energy: 1.3012674327119842
Energy: 1.3344355836241186
Energy: 1.2206049552116636
Energy: 1.8501284056379321
Energy: 1.2206490478623928
Energy: 1.8501889900325352
Energy: 1.220584689284648
Energy: 1.3345945131202586
Energy: 1.3012716119788463
Energy: 1.3412158596779926
Energy: 1.2206214082992288
Energy: 1.8501889900325352
Energy: 1.220584689284648
Energy: 1.3345945131231667
Energy: 1.3012716119788463
Energy: 1.3011362504754396
Energy: 1.7856599799049138
Energy: 1.3012439519371675
Energy: 1.3003242720114478
Energy: 1.8298122525174176
Energy: 1.5968495491294499
Energy: 1.3011362504754396
Energy: 2.222148388877476
Energy: 1.3012439519378947
Energy: 1.3003242720114478
Energy: 1.301117788427911
Energy: 1.4149857337304084
Energy: 1.2206746197196163
Energy: 1.3009942149517353
Energy: 1.3011183466565277
Energy: 1.8057106197509436
Energy: 1.301117788427184
Energy: 1.3011349971515862
Energy: 1.2206746197196163
Energy: 1.3009942149517353
Energy: 1.8298678704313354
Energy: 1.3003129362801025
Energy: 1.3012782270809005
Energy: 1.7550531237494629
Energy: 1.3011253647516499
Energy: 1.80554273264141
Energy: 1.8298678704306084
Energy: 1.3003129362801025
Energy: 1.3012782270809005
Energy: 1.7550531237494629

minimum gb energy = 1.220584689284648 eV
minimum distance =  2.32320204828457 Angstroms
sigma value = 15


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

Energy: 1.8120315297296443
Energy: 1.4600449313772828
Energy: 1.6489003635835848
Energy: 1.597097104411534
Energy: 1.648926154965
Energy: 1.4601075362245834
Energy: 1.8120315297293148
Energy: 1.4600449313753354
Energy: 1.6489003635832555
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Energy: 1.5801738633863611
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Energy: 1.5486698941745827
Energy: 1.5055509474523328
Energy: 1.7591549984747088
Energy: 1.535976793791164
Energy: 1.5877385483441986
Energy: 1.5717861299019227
Energy: 1.5507440066983855
Energy: 1.6976225990190301
Energy: 1.7591549984737205
Energy: 1.5359767937921527
Energy: 1.58773854834321
Energy: 1.571786129900934
Energy: 1.4639158590138732
Energy: 1.7066071235201175
Energy: 1.5844876211373633
Energy: 1.5817244309474894
Energy: 1.7400819799519798
Energy: 1.5520781303406004
Energy: 1.463915859014862
Energy: 1.7066071235194582
Energy: 1.5844876211353862
Energy: 1.5817244309488077
Energy: 1.7082340151694981
Energy: 1.57080219706343
Energy: 1.5809950884679245
Energy: 1.590585158253917
Energy: 1.7352845023611267
Energy: 1.7587538297696432
Energy: 1.7082340151698276
Energy: 1.570802197064089
Energy: 1.5809950884685833
Energy: 1.590585158253917
Energy: 1.6316940694143596
Energy: 1.5705493323891067
Energy: 1.5655829854665053
Energy: 1.487169297116135
Energy: 1.6021886382758377
Energy: 1.552149042816106
Energy: 1.6316940694160074
Energy: 1.5705493323894362
Energy: 1.5655829854658463
Energy: 1.4871692971177828
Energy: 1.464228844719994
Energy: 1.706084879268706
Energy: 1.6244438323460892
Energy: 1.599953091424196
Energy: 1.6451866812648612
Energy: 1.6353473878807119
Energy: 1.4642288447196645
Energy: 1.7060848792696945
Energy: 1.6244438323444415
Energy: 1.5999530914218891
Energy: 1.4636551692221507
Energy: 1.7050284805034257
Energy: 1.6354455113728803
Energy: 1.5993021329565014
Energy: 1.5390528664435308
Energy: 1.6631243365913535
Energy: 1.4636551692224802
Energy: 1.705028480504744
Energy: 1.6354455113748574
Energy: 1.5993021329558421
Energy: 1.593174599191524
Energy: 1.4597297444652486
Energy: 1.6111648540597154
Energy: 1.4858271695986938
Energy: 1.5758823440830134
Energy: 1.570949188338392
Energy: 1.5931745991941606
Energy: 1.4597297444665667
Energy: 1.611164854060045
Energy: 1.4858271696003416
Energy: 1.6909349253750015
Energy: 1.7334242742111001
Energy: 1.525470500297916
Energy: 1.5935306365467965
Energy: 1.6427452687036599
Energy: 1.5702655535543477
Energy: 1.6909349253756605
Energy: 1.7334242742111001
Energy: 1.5254705002982456
Energy: 1.5935306365477853
Energy: 1.518711920290892
Energy: 1.55247730919254
Energy: 1.7372140403893348
Energy: 1.6033359530087288
Energy: 1.6058235582358202
Energy: 1.7071084295650232
Energy: 1.518711920290892
Energy: 1.5524773091905626
Energy: 1.7372140403896643
Energy: 1.6033359530087288
Energy: 1.7329377658626577
Energy: 1.643609424898153
Energy: 1.6848050578553673
Energy: 1.6397070350336442
Energy: 1.587717428917845
Energy: 1.738089608275483
Energy: 1.7329377658613394
Energy: 1.6436094248991413
Energy: 1.6848050578540492
Energy: 1.6397070350349625
Energy: 1.5606644102322371
Energy: 1.6459332663904103
Energy: 1.5500222699974144
Energy: 1.504977764294893
Energy: 1.5495662576448803
Energy: 1.603026189883951
Energy: 1.5606644102325666
Energy: 1.6459332663897515
Energy: 1.5500222699984028
Energy: 1.5049777642945632
Energy: 1.586693264601372
Energy: 1.5188485883336682
Energy: 1.666574706340511
Energy: 1.5755281264102736
Energy: 1.6794979552789013
Energy: 1.5912498434558486
Energy: 1.586693264602031
Energy: 1.5188485883330092
Energy: 1.6665747063391927
Energy: 1.5755281264106031
Energy: 1.7453181604635524
Energy: 1.459916848222694
Energy: 1.6909057491001331
Energy: 1.6334170354889397
Energy: 1.5792352541273074
Energy: 1.5494107527198993
Energy: 1.7453181604622343
Energy: 1.459916848222694
Energy: 1.6909057491014514
Energy: 1.6334170354879507
Energy: 1.6289699398491
Energy: 1.503314852988913
Energy: 1.4593950501348383
Energy: 1.5057533058082877
Energy: 1.5058949066343528
Energy: 1.6039680025072554
Energy: 1.6289699398504183
Energy: 1.5033148529885836
Energy: 1.4593950501345088
Energy: 1.5057533058079582
Energy: 1.5758233373728974
Energy: 1.7506354583440784
Energy: 1.518347009411404
Energy: 1.586247060595546
Energy: 1.5875564413730214
Energy: 1.6118520107789491
Energy: 1.5758233373722381
Energy: 1.750635458344408
Energy: 1.518347009411404
Energy: 1.5862470605968642
Energy: 1.6122973274350023
Energy: 1.5512095964955335
Energy: 1.6443209138173251
Energy: 1.6759949516963335
Energy: 1.5879363026762492
Energy: 1.5465991857009886
Energy: 1.6122973274350023
Energy: 1.551209596497181
Energy: 1.644320913816666
Energy: 1.6759949516956747
Energy: 1.782165909769955
Energy: 1.6777726291304302
Energy: 1.587727712994885
Energy: 1.7313264718673977
Energy: 1.8198751688111119
Energy: 1.5870702062359787
Energy: 1.782165909767648
Energy: 1.6777726291294415
Energy: 1.5877277129955443
Energy: 1.7313264718667385
Energy: 1.6052762636868414
Energy: 1.5782450840809796
Energy: 1.6061547528270348
Energy: 1.517547505378557
Energy: 1.7068173362309402
Energy: 1.5330465864757623
Energy: 1.6052762636881597
Energy: 1.5782450840796616
Energy: 1.6061547528270348
Energy: 1.517547505378557
Energy: 1.5959145607433798
Energy: 1.5228873209742342
Energy: 1.733110985660444
Energy: 1.6816363368165688
Energy: 1.5571058563233688
Energy: 1.7865961873291711
Energy: 1.5959145607433798
Energy: 1.5228873209752227
Energy: 1.7331109856611033
Energy: 1.6816363368159095
Energy: 1.4879434893531873
Energy: 1.5284399517096987
Energy: 1.5175588645333649
Energy: 1.4854958722917269
Energy: 1.6878197460969413
Energy: 1.5840861155974972
Energy: 1.4879434893528576
Energy: 1.5284399517103577
Energy: 1.517558864532376
Energy: 1.4854958722917269
Energy: 1.598765466194296
Energy: 1.6398210774551414
Energy: 1.6688410223351693
Energy: 1.463387948903543
Energy: 1.6519888032999426
Energy: 1.4858634467411873
Energy: 1.5987654661913304
Energy: 1.6398210774567892
Energy: 1.6688410223358285
Energy: 1.4633879489018953

minimum gb energy = 1.4588651253622242 eV
minimum distance =  2.3121566534924 Angstroms
sigma value = 437


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

Energy: 1.6903635555705796
Energy: 1.6889499447742973
Energy: 1.4999935799397794
Energy: 1.8855811470550439
Energy: 1.4998715700858878
Energy: 1.6890413715685644
Energy: 1.6903635555681786
Energy: 1.688949944771896
Energy: 1.4999935799374329
Energy: 1.8855811470586459
Energy: 1.5085498008012979
Energy: 1.5963863219903307
Energy: 1.5008997344315407
Energy: 1.553300723397893
Energy: 1.5710100972874206
Energy: 1.5365185963644583
Energy: 1.5085498008024985
Energy: 1.596386321985583
Energy: 1.5008997344291393
Energy: 1.553300723397893
Energy: 1.552218291173739
Energy: 1.4605350428508788
Energy: 1.5005405877179396
Energy: 1.4641117562322328
Energy: 1.5007256308813144
Energy: 1.7069342447014466
Energy: 1.552218291173739
Energy: 1.4605350428508788
Energy: 1.5005405877167388
Energy: 1.4641117562322328
Energy: 1.499731266091507
Energy: 1.4598047925221624
Energy: 1.5006400513026799
Energy: 1.5353379580882913
Energy: 1.5934147197586679
Energy: 1.535803299331527
Energy: 1.499731266091507
Energy: 1.4598047925221624
Energy: 1.5006400513062816
Energy: 1.5353379580882913
Energy: 1.524999877328746
Energy: 1.810601982552609
Energy: 1.5002543648476452
Energy: 1.5581651474401024
Energy: 1.506922272607004
Energy: 1.531592813639592
Energy: 1.524999877328746
Energy: 1.5708946363051486
Energy: 1.5002543648476452
Energy: 1.5581651474401024
Energy: 1.5254561033005818
Energy: 1.504443913744133
Energy: 1.5957075884788952
Energy: 1.5629586647726033
Energy: 1.588749370418335
Energy: 1.5349052540147923
Energy: 1.5254561032981806
Energy: 1.5044439137429324
Energy: 1.5957075884788952
Energy: 1.5629586647714027
Energy: 1.5013554398011357
Energy: 1.4632577285010016
Energy: 1.6198661605247533
Energy: 1.534648362187606
Energy: 1.500001004630181
Energy: 1.464717363566963
Energy: 1.5013554397987345
Energy: 1.4632577285010016
Energy: 1.6198661605271545
Energy: 1.5346483621900073
Energy: 1.5456179756838522
Energy: 1.6414802820385135
Energy: 1.5009084075743135
Energy: 1.5351856772316579
Energy: 1.5017269332447791
Energy: 1.4599439624256827
Energy: 1.5456179756850525
Energy: 1.6414802820373127
Energy: 1.5009084075791161
Energy: 1.5351856772304573
Energy: 1.5092674504430126
Energy: 1.5349445997086555
Energy: 1.5455058249010252
Energy: 1.8545509636780637
Energy: 1.499848924444006
Energy: 1.5926955825722509
Energy: 1.5092674504418118
Energy: 1.5349445997086555
Energy: 1.5455058249022258
Energy: 1.8545509636804651
Energy: 1.5028720793766992
Energy: 1.5366348383251012
Energy: 1.596102430855243
Energy: 1.5587483912675
Energy: 1.5015208777677296
Energy: 1.5873028098507431
Energy: 1.5028720793754988
Energy: 1.5366348383263018
Energy: 1.5961024308588447
Energy: 1.558748391269901
Energy: 1.5644205095709875
Energy: 1.5346940642542959
Energy: 1.5001327223966023
Energy: 1.546621994689793
Energy: 1.6437334345396502
Energy: 1.4644700079479045
Energy: 1.5644205095757902
Energy: 1.5346940642554965
Energy: 1.5001327223954017
Energy: 1.546621994688592
Energy: 1.5598205944404888
Energy: 1.6410704861972056
Energy: 1.626094574372416
Energy: 1.4600051191497463
Energy: 1.6266800415697962
Energy: 1.6411726087606429
Energy: 1.5598205944476924
Energy: 1.641070486196005
Energy: 1.626094574374817
Energy: 1.460005119150947
Energy: 1.5648582480823852
Energy: 1.464392817067431
Energy: 1.6437334345396502
Energy: 1.5465441708579917
Energy: 1.5001328871874045
Energy: 1.5347578748362796
Energy: 1.5648582480823852
Energy: 1.4643928170662304
Energy: 1.6437334345396502
Energy: 1.5465441708531893
Energy: 1.6067503918985195
Energy: 1.587399194241401
Energy: 1.5015058640317787
Energy: 1.5587473555377547
Energy: 1.5945091735730443
Energy: 1.536091725132518
Energy: 1.6067503919009207
Energy: 1.5873991942426018
Energy: 1.5015058640341798
Energy: 1.5587473555377547

minimum gb energy = 1.4598047925221624 eV
minimum distance =  2.30430649162433 Angstroms
sigma value = 33