Model name: model_name=EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.040926471352577
cohesive_energy=3.905455928316686
mass=26.981538
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: 0.013662480953715434
Energy: 0.2114130546336239
Energy: 0.2114130546336239
Energy: 0.013662480952558587
Energy: 0.211413054632467
Energy: 0.211413054632467
Energy: 0.013662480953715434
Energy: 0.2114130546336239
Energy: 0.211413054632467
Energy: 0.013662480952558587
Energy: 0.2115851325504055
Energy: 0.014251588168538864
Energy: 0.21170246010431046
Energy: 0.21158513254809183
Energy: 0.014251588168538864
Energy: 0.211702460107781
Energy: 0.21158513254809183
Energy: 0.014251588169695715
Energy: 0.2117024601089378
Energy: 0.2115851325504055
Energy: 0.5309333926852013
Energy: 0.36393049616745876
Energy: 0.18724667396467093
Energy: 0.5309336089334756
Energy: 0.34940347642996517
Energy: 0.349403476431122
Energy: 0.530934048127486
Energy: 0.34940347642996517
Energy: 0.34940347642996517
Energy: 0.5309333259416352
Energy: 0.2115851325504055
Energy: 0.21170246010662414
Energy: 0.014251588169695715
Energy: 0.21158513254809183
Energy: 0.21170246010546728
Energy: 0.014251588169695715
Energy: 0.2115851325504055
Energy: 0.211702460107781
Energy: 0.014251588169695715
Energy: 0.2115851325504055
Energy: 0.013662480952558587
Energy: 0.21141305463478072
Energy: 0.21141305463478072
Energy: 0.013662480953715434
Energy: 0.2114130546336239
Energy: 0.2114130546336239
Energy: 0.013662480953715434
Energy: 0.2114130546336239
Energy: 0.2114130546336239
Energy: 0.013662480953715434
Energy: 0.21158513254924868
Energy: 0.014251588169695715
Energy: 0.2117024601089378
Energy: 0.21158513255156236
Energy: 0.014251588169695715
Energy: 0.211702460107781
Energy: 0.21158513254809183
Energy: 0.014251588169695715
Energy: 0.2117024601100947
Energy: 0.2115851325504055
Energy: 0.5309333717890956
Energy: 0.12265223102406209
Energy: 0.015408577803893174
Energy: 0.5309334613425084
Energy: 0.12265223102290522
Energy: 0.015408577803893174
Energy: 0.5309336571017031
Energy: 0.12265223102290522
Energy: 0.10242549175835362
Energy: 0.5309333305068437

minimum gb energy = 0.013662480952558587 eV
minimum distance =  2.64444313146068 Angstroms
sigma value = 3


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

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Energy: 0.6430462368449519
Energy: 0.642606610809987
Energy: 0.4846189223250861
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Energy: 0.52410256160985
Energy: 0.6430462368463944
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Energy: 0.48461892232395265
Energy: 0.5640697837141173
Energy: 0.5087737538276631
Energy: 0.6434011286779764
Energy: 0.564069783716951
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Energy: 0.5640697837163844
Energy: 0.5880595800291047
Energy: 0.6205778219005754
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Energy: 0.5456212546534239
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Energy: 0.6514067785019474
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Energy: 0.6280922038319212
Energy: 0.6611006496352193
Energy: 0.48727937192382487
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Energy: 0.5056702644442977
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Energy: 0.5886060131388402
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Energy: 0.6056684143472031
Energy: 0.5448073064821287
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Energy: 0.6365490677081703
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Energy: 0.6312105387072897
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Energy: 0.6111324019040885
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Energy: 0.5442838709784495
Energy: 0.6111324019069222
Energy: 0.5097710527070097
Energy: 0.5442838709801497
Energy: 0.611132401900379
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Energy: 0.5442838709892176
Energy: 0.5116357088828327
Energy: 0.6430462368395936
Energy: 0.6426066108108115
Energy: 0.4846189223219948
Energy: 0.6430462368435608
Energy: 0.6426066108119449
Energy: 0.5116357088694886
Energy: 0.6430462368477855
Energy: 0.6426066108213219
Energy: 0.4846189223208613
Energy: 0.5640697837132416
Energy: 0.5087737538270963
Energy: 0.6434011286779764
Energy: 0.5640697837118505
Energy: 0.5087737538279723
Energy: 0.6434011286774097
Energy: 0.5640697837115413
Energy: 0.508773753833073
Energy: 0.6434011286785433
Energy: 0.5640697837073165
Energy: 0.6012210752117487
Energy: 0.6205778219025333
Energy: 0.6514067785013806
Energy: 0.5969608510648177
Energy: 0.6205778219062427
Energy: 0.6514067784925704
Energy: 0.6012210752128306
Energy: 0.6205778218943413
Energy: 0.6514067785033384
Energy: 0.5969608510608506
Energy: 0.6280922038265114
Energy: 0.6611006496397531
Energy: 0.48727937192382487
Energy: 0.6280922038268205
Energy: 0.6611006496318188
Energy: 0.4872793719252159
Energy: 0.6280922038245537
Energy: 0.661100649638053
Energy: 0.4872793719232581
Energy: 0.6280922038333123

minimum gb energy = 0.46985742642941347 eV
minimum distance =  2.52641010750518 Angstroms
sigma value = 75


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

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Energy: 0.4888800858630879
Energy: 0.48877184765009485
Energy: 0.5586654774875671
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minimum gb energy = 0.48283305269843113 eV
minimum distance =  2.51895139642774 Angstroms
sigma value = 105


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

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Energy: 0.5657804002665787
Energy: 0.5992919788347969
Energy: 0.5791359191445227
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Energy: 0.5909215085656508
Energy: 0.5810794739609594
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Energy: 0.526339632280149
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Energy: 0.5893815120856728
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Energy: 0.5686614972225547
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Energy: 0.5686614972256744
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Energy: 0.5521020072644635
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Energy: 0.5777581589850123
Energy: 0.5621068074725277
Energy: 0.5521020072597839
Energy: 0.5318027663698169
Energy: 0.5907429197012761
Energy: 0.5965690331733474
Energy: 0.5318027663698169
Energy: 0.5907429196997447
Energy: 0.5965690331733474
Energy: 0.5318027663744966
Energy: 0.590742919704396
Energy: 0.5965690331608683
Energy: 0.5318027663713769
Energy: 0.5566339696067605
Energy: 0.5552829437993851
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Energy: 0.5566339696161199
Energy: 0.554900563340124
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Energy: 0.5566339696052006
Energy: 0.5552829438087161
Energy: 0.5557924434510501
Energy: 0.5566339696052006
Energy: 0.5835511404455184
Energy: 0.57101185527408
Energy: 0.6171118861316767
Energy: 0.5835511404517579
Energy: 0.5710111266989097
Energy: 0.6171118861301168
Energy: 0.5835511404517579
Energy: 0.5710118552772
Energy: 0.6171118861238771
Energy: 0.583551140450198
Energy: 0.5722476461376536
Energy: 0.5668445572784068
Energy: 0.5407982849641544
Energy: 0.5722476461360936
Energy: 0.5668445572752869
Energy: 0.540798284968834
Energy: 0.5722476461329737
Energy: 0.5668445572690473
Energy: 0.5407982849672741
Energy: 0.5722476461360936
Energy: 0.5588245630439564
Energy: 0.6075704548417878
Energy: 0.5660254798640413
Energy: 0.5588245630455164
Energy: 0.6075735933133195
Energy: 0.5660254798640413
Energy: 0.5588245630455164
Energy: 0.6075704548340168
Energy: 0.566025479870281
Energy: 0.5588245630408367
Energy: 0.5787323135611887
Energy: 0.556626713398058
Energy: 0.5987682198223258
Energy: 0.5787323135596288
Energy: 0.5566726774015847
Energy: 0.5987682198207659
Energy: 0.5787323135596288
Energy: 0.5566267133902585
Energy: 0.5987682198160862
Energy: 0.5787323135596288
Energy: 0.5827970485500373
Energy: 0.5298939252142509
Energy: 0.5899745443288521
Energy: 0.5827970485515972
Energy: 0.5298932870960849
Energy: 0.5899745443272922
Energy: 0.5827970485531572
Energy: 0.5298939252158109
Energy: 0.5899745443304121
Energy: 0.5827970485531572

minimum gb energy = 0.5263396322723495 eV
minimum distance =  2.54049693896048 Angstroms
sigma value = 165


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

Energy: 0.5031499590352695
Energy: 0.5708679130517054
Energy: 0.5709695017171244
Energy: 0.5031499590293789
Energy: 0.5708679130559895
Energy: 0.570969501721944
Energy: 0.5031499590347339
Energy: 0.5708679130522408
Energy: 0.5709695017203374
Energy: 0.5031499590283077
Energy: 0.5744723467035636
Energy: 0.504321868304204
Energy: 0.5910327938488357
Energy: 0.5744723467105254
Energy: 0.504321868304204
Energy: 0.5910327938493712
Energy: 0.5744723467035636
Energy: 0.5043218683058106
Energy: 0.5910327938504423
Energy: 0.5744723467105254
Energy: 0.5285152550840841
Energy: 0.527796522767939
Energy: 0.49134139615774025
Energy: 0.5285152550824777
Energy: 0.5277965227336904
Energy: 0.49134139616041783
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Energy: 0.5285152550824777
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Energy: 0.525019051641375
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Energy: 0.5403557515949935
Energy: 0.5492089853764699
Energy: 0.5715056654906939
Energy: 0.5476699569940178
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Energy: 0.5492089853764699
Energy: 0.5715056654901585
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Energy: 0.5249860421960718
Energy: 0.5876887185120925
Energy: 0.607775325317732
Energy: 0.5249860421976782
Energy: 0.5876887185115569
Energy: 0.6077753253198742
Energy: 0.5249860421960718
Energy: 0.5876887185120925
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Energy: 0.5249860421971427
Energy: 0.5296032455410589
Energy: 0.5298875358909947
Energy: 0.5228906766927816
Energy: 0.5296032455479961
Energy: 0.5298875358915301
Energy: 0.5228906766970656
Energy: 0.5296032455528158
Energy: 0.5298875358942078
Energy: 0.5228906766927816
Energy: 0.5296032455383811
Energy: 0.587203499705811
Energy: 0.5124295546774501
Energy: 0.5745061549877357
Energy: 0.5872034997090241
Energy: 0.5124295546753082
Energy: 0.5745061549877357
Energy: 0.5872034997063466
Energy: 0.5124295546758436
Energy: 0.5745061549882713
Energy: 0.5872034997090241
Energy: 0.5281229167665973
Energy: 0.4912832664998093
Energy: 0.5278297774580315
Energy: 0.5281229167708813
Energy: 0.4912832664982027
Energy: 0.5278297824227537
Energy: 0.5281229167665973
Energy: 0.4912832665024868
Energy: 0.5278297837957443
Energy: 0.5281229167714169
Energy: 0.5741834441577918
Energy: 0.5912987463208125
Energy: 0.5042807759950978
Energy: 0.5741834441561852
Energy: 0.5912987463256323
Energy: 0.5042807759940268
Energy: 0.5741834441561852
Energy: 0.591298746321348
Energy: 0.5042807759945623
Energy: 0.5741834441551141
Energy: 0.5031499590384826
Energy: 0.5708679130538474
Energy: 0.5709695017123048
Energy: 0.503149959032592
Energy: 0.570867913059738
Energy: 0.5709695017181954
Energy: 0.503149959037947
Energy: 0.570867913053312
Energy: 0.5709695017106982
Energy: 0.503149959032592

minimum gb energy = 0.4912832664982027 eV
minimum distance =  2.63797644112578 Angstroms
sigma value = 41


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

Energy: 0.5839621487134754
Energy: 0.4926256623574192
Energy: 0.4926851533004831
Energy: 0.5325464089547869
Energy: 0.49262566236157473
Energy: 0.4926851533004831
Energy: 0.5839621487155532
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Energy: 0.5179746701273092
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Energy: 0.48549536277567396
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Energy: 0.4853454064822495
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Energy: 0.5148052685331364
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Energy: 0.5659493011222851
Energy: 0.4637205433808871
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Energy: 0.5099106033001891
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Energy: 0.49182114169318963
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Energy: 0.45399051744948965
Energy: 0.46859624744727746
Energy: 0.4938007516424241
Energy: 0.45399051744117863
Energy: 0.4655450574820467
Energy: 0.48515011811622294
Energy: 0.4861462392455469
Energy: 0.46554505747996905
Energy: 0.4851073966292282
Energy: 0.4859828325674489
Energy: 0.4655450574778913
Energy: 0.48515011811622294
Energy: 0.48614623923931366
Energy: 0.4655450574778913
Energy: 0.4611470434320128
Energy: 0.48616060540507133
Energy: 0.4608898350165306
Energy: 0.4611470434320128
Energy: 0.48604669193886985
Energy: 0.46088983502068614
Energy: 0.4611470434340906
Energy: 0.48616060540299355
Energy: 0.4608898350165306
Energy: 0.4611470434320128
Energy: 0.5121410790196406
Energy: 0.4821690733361341
Energy: 0.47942435895854
Energy: 0.5121410790176005
Energy: 0.48223555022974224
Energy: 0.47942435895646224
Energy: 0.512141079013445
Energy: 0.4821690733361341
Energy: 0.47942435896685104
Energy: 0.5121410790155229
Energy: 0.49347956266176485
Energy: 0.4911178423676328
Energy: 0.47781790862068335
Energy: 0.49347956266384263
Energy: 0.49111784236555506
Energy: 0.47781790861860557
Energy: 0.5039424715658608
Energy: 0.4911178423676328
Energy: 0.47781790862068335
Energy: 0.5028581505257154

minimum gb energy = 0.45399051744117863 eV
minimum distance =  2.55532405507682 Angstroms
sigma value = 185


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

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Energy: 0.26169672099757113
Energy: 0.26180352630788584
Energy: 0.22872744547579588
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Energy: 0.2728386733177986
Energy: 0.38408771565857586
Energy: 0.31537632696991347
Energy: 0.3208472039840822
Energy: 0.26239434777448256
Energy: 0.3149467420391794
Energy: 0.3212207955697068
Energy: 0.2623943477698188
Energy: 0.3153763269662138
Energy: 0.3208472039880284
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Energy: 0.31494674203449324
Energy: 0.29527752076775704
Energy: 0.2854763842796931
Energy: 0.2754121245089663
Energy: 0.29607065553047174
Energy: 0.28683107429640436
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Energy: 0.29527752075860897
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Energy: 0.27541212450403346
Energy: 0.29607065552405903
Energy: 0.34151042668628423
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Energy: 0.33590105246018215
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Energy: 0.2736826977935373
Energy: 0.3415104266860152
Energy: 0.4042935740489114
Energy: 0.2736826977974836
Energy: 0.3359010524478501

minimum gb energy = 0.2287274454755268 eV
minimum distance =  2.65158010644156 Angstroms
sigma value = 33


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

Energy: 0.4666562293817141
Energy: 0.4764745377812797
Energy: 0.4766497901089622
Energy: 0.43655900628662886
Energy: 0.4764745377799257
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Energy: 0.4693486822794796
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minimum gb energy = 0.4146591509131864 eV
minimum distance =  2.52076395376294 Angstroms
sigma value = 219


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

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Energy: 0.5926156427144814
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Energy: 0.5377912253920338
Energy: 0.5455401592514946
Energy: 0.5635746537126842
Energy: 0.5377912253911378

minimum gb energy = 0.5002292402949937 eV
minimum distance =  2.60265295969694 Angstroms
sigma value = 15


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

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Energy: 0.5772944139354551
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minimum gb energy = 0.5672508884929479 eV
minimum distance =  2.51922357802931 Angstroms
sigma value = 293


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

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Energy: 0.5864450793739925
Energy: 0.5786937295630299
Energy: 0.5675545645892721
Energy: 0.5864450793654915
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Energy: 0.5675545645880578
Energy: 0.6103160690711235
Energy: 0.6273421864084009
Energy: 0.6141774506475758
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Energy: 0.6273421864150618
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Energy: 0.647506227696832
Energy: 0.5730093869311331
Energy: 0.5731342337103323
Energy: 0.647506227705517
Energy: 0.5730093869287042
Energy: 0.5731365455966292
Energy: 0.647506227703677
Energy: 0.5730093869212336
Energy: 0.5731342337180237
Energy: 0.6475062276976417
Energy: 0.5937817043854444
Energy: 0.5881075398400519
Energy: 0.5644593064682106
Energy: 0.5937817043838252
Energy: 0.5881075338650236
Energy: 0.564459306469425
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Energy: 0.5881075562743973
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Energy: 0.5937817043858492
Energy: 0.5700798955000996
Energy: 0.569567015349469
Energy: 0.5723178858856403
Energy: 0.5700798955069815
Energy: 0.5695670153466352
Energy: 0.5723178858822178
Energy: 0.5700798955033382
Energy: 0.5695670153454208
Energy: 0.5723178858882532
Energy: 0.5700798954962356
Energy: 0.6044675138754645
Energy: 0.6129076328860373
Energy: 0.5685653448296039
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Energy: 0.6129076328841974
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Energy: 0.5834801365402043
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Energy: 0.5785354358165087
Energy: 0.5834801365349416
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Energy: 0.5817472287068095
Energy: 0.583480136540609
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Energy: 0.5785354358165087
Energy: 0.6008600632154771
Energy: 0.5685280111855275
Energy: 0.6019412899105505
Energy: 0.6008600632102514
Energy: 0.5685280111835035
Energy: 0.6019412899071279
Energy: 0.6008600632098465
Energy: 0.5685280111905693
Energy: 0.6019412899077168
Energy: 0.6008600632165076
Energy: 0.5716221519566914
Energy: 0.5696859500515139
Energy: 0.5716219293268665
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Energy: 0.569751190607555
Energy: 0.5716219293238488
Energy: 0.5716221519669956
Energy: 0.569685950058359
Energy: 0.5716219293248423
Energy: 0.5716221519643827
Energy: 0.5916169396198742
Energy: 0.5650064214489501
Energy: 0.7035517583371269
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Energy: 0.5650128559537814
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Energy: 0.6432892243738558
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Energy: 0.5861690496326426
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Energy: 0.5765279743036382
Energy: 0.5861690496294042
Energy: 0.643289224375475
Energy: 0.5765279743054783
Energy: 0.5861690496328267
Energy: 0.6432892243825776
Energy: 0.6044837039076943
Energy: 0.5849210895278993
Energy: 0.6276899041328915
Energy: 0.6044837039121105
Energy: 0.584921089524477
Energy: 0.6276903303005303
Energy: 0.6044837039105281
Energy: 0.5849210895250657
Energy: 0.6276899041331124
Energy: 0.6044837039113377
Energy: 0.5680230132035107
Energy: 0.5671904834040447
Energy: 0.5735346467443044
Energy: 0.5680230131960032
Energy: 0.5671904834020206
Energy: 0.5735346467461444
Energy: 0.5680230131998674
Energy: 0.5671904833951388
Energy: 0.5735346467493829
Energy: 0.5680230131986529
Energy: 0.6244856005968539
Energy: 0.5773601705864925
Energy: 0.5772405450756463
Energy: 0.6244856005889416
Energy: 0.5773601705859037
Energy: 0.5772405450756463
Energy: 0.6244856005887575
Energy: 0.5773601705868974
Energy: 0.5772405450776704
Energy: 0.6244856005911864
Energy: 0.5675545645793727
Energy: 0.5864450793717845
Energy: 0.5786937295626251
Energy: 0.5675545645801823
Energy: 0.5864450793743974
Energy: 0.5786937295619995
Energy: 0.5675545645858497
Energy: 0.5864450793679205
Energy: 0.5786937295640234
Energy: 0.5675545645838256
Energy: 0.6103160690739572
Energy: 0.6273421864092105
Energy: 0.6141774506475758
Energy: 0.6103160690757604
Energy: 0.6273421864185212
Energy: 0.6141774506494159
Energy: 0.6103160690715282
Energy: 0.627342186414473
Energy: 0.6141774506495999
Energy: 0.6103160690727427
Energy: 0.6475062276974208
Energy: 0.5730093869301395
Energy: 0.5732329986543621
Energy: 0.6475062277087555
Energy: 0.5730093869282994
Energy: 0.5732358819212096
Energy: 0.6475062277052962
Energy: 0.5730093869224481
Energy: 0.5732329986517125
Energy: 0.6475062276992608
Energy: 0.5937817043854444
Energy: 0.5881075378130467
Energy: 0.5644593064678057
Energy: 0.5937817043866589
Energy: 0.5881075428432065
Energy: 0.5644593064686154
Energy: 0.5937817043838252
Energy: 0.5881075399701438
Energy: 0.5644593064704186
Energy: 0.5937817043872476

minimum gb energy = 0.5644593064678057 eV
minimum distance =  2.52410452510472 Angstroms
sigma value = 293


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

Energy: 0.559415691664808
Energy: 0.5598900847713622
Energy: 0.559945607837128
Energy: 0.5594156916637104
Energy: 0.5598900847731912
Energy: 0.559945607837128
Energy: 0.5594156916640762
Energy: 0.559890084771728
Energy: 0.5599456078374938
Energy: 0.5594156916640762
Energy: 0.559606269074577
Energy: 0.5599148595769743
Energy: 0.5609509297083953
Energy: 0.5596062690694554
Energy: 0.5599148595773401
Energy: 0.560950929711322
Energy: 0.5596062690738454
Energy: 0.5599148595769743
Energy: 0.5609509297164437
Energy: 0.559606269065797
Energy: 0.5593960803892265
Energy: 0.5597413534399918
Energy: 0.6067960612631398
Energy: 0.5593960803928848
Energy: 0.5597413534403576
Energy: 0.6067956225626352
Energy: 0.5593960803899581
Energy: 0.5597413534399918
Energy: 0.6067956657908085
Energy: 0.5593960803917873
Energy: 0.6067742537901188
Energy: 0.5595926591607001
Energy: 0.5592591121509316
Energy: 0.6067754001580445
Energy: 0.5595926591559442
Energy: 0.5592591121516632
Energy: 0.6067757426031546
Energy: 0.5595926591570417
Energy: 0.5592591121512973
Energy: 0.6067750856950922
Energy: 0.5611083325992138
Energy: 0.5599018985071305
Energy: 0.5596490605189962
Energy: 0.5611083325984821
Energy: 0.5599018985049354
Energy: 0.5596490605142406
Energy: 0.5611083326014088
Energy: 0.5599018985071305
Energy: 0.5596490605160696
Energy: 0.5611083326017747
Energy: 0.5598900847728255
Energy: 0.559945607837128
Energy: 0.559415691662613
Energy: 0.559890084771728
Energy: 0.559945607837128
Energy: 0.5594156916637104
Energy: 0.5598900847728255
Energy: 0.559945607837128
Energy: 0.559415691664442
Energy: 0.559890084771728
Energy: 0.5599148595773401
Energy: 0.5609509297109562
Energy: 0.5596062690738454
Energy: 0.5599148595773401
Energy: 0.5609509297098587
Energy: 0.5596062690690896
Energy: 0.5599148595773401
Energy: 0.5609509297142486
Energy: 0.5596062690716503
Energy: 0.5599148595769743
Energy: 0.5597413534399918
Energy: 0.6067959765013048
Energy: 0.5593960803895923
Energy: 0.5597413534399918
Energy: 0.6067957388140793
Energy: 0.5593960803921532
Energy: 0.5597413534399918
Energy: 0.6067957888677239
Energy: 0.5593960803921532
Energy: 0.5597413534403576
Energy: 0.5595926591599684
Energy: 0.5592591121516632
Energy: 0.6067761318851572
Energy: 0.5595926591596025
Energy: 0.5592591121512973
Energy: 0.6067747526783142
Energy: 0.5595926591588708
Energy: 0.559259112152029
Energy: 0.6067748932153648
Energy: 0.5595926591559442
Energy: 0.5599018985046029
Energy: 0.5596490605142406
Energy: 0.5611083326229926
Energy: 0.5599018985074964
Energy: 0.5596490605178986
Energy: 0.561108332601043
Energy: 0.5599018985049354
Energy: 0.5596490605135088
Energy: 0.5611083325988481
Energy: 0.5599018985071305
Energy: 0.5599456078363962
Energy: 0.5594156916633446
Energy: 0.5598900847728255
Energy: 0.5599456078367622
Energy: 0.5594156916640762
Energy: 0.559890084771728
Energy: 0.559945607837128
Energy: 0.559415691662613
Energy: 0.5598900847735571
Energy: 0.5599456078363962
Energy: 0.5609509297105904
Energy: 0.5596062690687237
Energy: 0.5599148595773401
Energy: 0.5609509297083953
Energy: 0.5596062690716503
Energy: 0.5599148595766085
Energy: 0.5609509297098587
Energy: 0.5596062690679922
Energy: 0.5599148595773401
Energy: 0.5609509297109562
Energy: 0.6067956339798034
Energy: 0.5593960803895923
Energy: 0.5597413534399918
Energy: 0.6067963455554565
Energy: 0.5593960803899581
Energy: 0.5597413534399918
Energy: 0.6067956235323765
Energy: 0.5593960803921532
Energy: 0.5597413534399918
Energy: 0.6067955668342453
Energy: 0.5592591121509316
Energy: 0.6067746223206388
Energy: 0.5595926591585051
Energy: 0.559259112152029
Energy: 0.6067749333024791
Energy: 0.5595926591548468
Energy: 0.5592591121512973
Energy: 0.6067746981152836
Energy: 0.5595926591563101
Energy: 0.5592591121512973
Energy: 0.5596490605186303
Energy: 0.5611083326112861
Energy: 0.5599018985046029
Energy: 0.5596490605124114
Energy: 0.5611083326054328
Energy: 0.5599018985071305
Energy: 0.5596490605197278
Energy: 0.5611083326006772
Energy: 0.5599018985049354
Energy: 0.5596490605157037
Energy: 0.5594156916615155
Energy: 0.559890084771728
Energy: 0.5599456078374938
Energy: 0.5594156916633446
Energy: 0.5598900847731912
Energy: 0.559945607837128
Energy: 0.5594156916618813
Energy: 0.5598900847713622
Energy: 0.5599456078374938
Energy: 0.559415691664442
Energy: 0.5596062690731137
Energy: 0.5599148595769743
Energy: 0.5609509297138827
Energy: 0.5596062690694554
Energy: 0.5599148595769743
Energy: 0.5609509297094929
Energy: 0.559606269074577
Energy: 0.5599148595769743
Energy: 0.5609509297102244
Energy: 0.5596062690672604
Energy: 0.5593960803921532
Energy: 0.5597413534399918
Energy: 0.606795605321564
Energy: 0.5593960803936165
Energy: 0.5597413534399918
Energy: 0.606795710690413
Energy: 0.5593960803906899
Energy: 0.5597413534396259
Energy: 0.6067961876266802
Energy: 0.5593960803928848
Energy: 0.6067743059741417
Energy: 0.5595926591610658
Energy: 0.5592591121509316
Energy: 0.6067743299207927
Energy: 0.5595926591563101
Energy: 0.5592591121516632
Energy: 0.6067752415732405
Energy: 0.5595926591577735
Energy: 0.5592591121512973
Energy: 0.6067745273966224
Energy: 0.561108332603238
Energy: 0.5599018985074964
Energy: 0.559649060517167
Energy: 0.5611083325999455
Energy: 0.5599018985046029
Energy: 0.559649060517167
Energy: 0.5611083326006772
Energy: 0.5599018985071305
Energy: 0.5596490605186303
Energy: 0.5611083326017747
Energy: 0.5598900847728255
Energy: 0.559945607837128
Energy: 0.559415691662613
Energy: 0.5598900847713622
Energy: 0.5599456078367622
Energy: 0.5594156916629787
Energy: 0.5598900847731912
Energy: 0.5599456078374938
Energy: 0.559415691664808
Energy: 0.559890084771728
Energy: 0.5599148595769743
Energy: 0.560950929705103
Energy: 0.559606269072382
Energy: 0.5599148595773401
Energy: 0.5609509297138827
Energy: 0.5596062690690896
Energy: 0.5599148595773401
Energy: 0.5609509297127854
Energy: 0.5596062690742112
Energy: 0.5599148595769743

minimum gb energy = 0.5592591121509316 eV
minimum distance =  2.59899548627087 Angstroms
sigma value = 15


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

Energy: 0.6007982070136338
Energy: 0.6036840279370767
Energy: 0.5958899033655459
Energy: 0.5844048262138477
Energy: 0.6036840279453679
Energy: 0.5958899033672043
Energy: 0.6007982070020257
Energy: 0.6036840279437098
Energy: 0.5958899033804707
Energy: 0.5844048262121895
Energy: 0.5756419421883785
Energy: 0.5944635193874661
Energy: 0.6077051961621793
Energy: 0.5756419421900367
Energy: 0.5944635193957576
Energy: 0.6077051961588629
Energy: 0.5756419421801171
Energy: 0.5944635193940992
Energy: 0.6077051961538881
Energy: 0.5756419421850619
Energy: 0.5896084713338245
Energy: 0.5969479985731595
Energy: 0.644993439173901
Energy: 0.5896084713321662
Energy: 0.5969479985731595
Energy: 0.6449934391772174
Energy: 0.5896084713470907
Energy: 0.5969479985748177
Energy: 0.6449934391722426
Energy: 0.5896084713437743
Energy: 0.565484552966697
Energy: 0.5974894668383213
Energy: 0.5647795025251783
Energy: 0.5654845529716718
Energy: 0.5974894668432961
Energy: 0.5647795025251783
Energy: 0.5654845529749883
Energy: 0.5974894668383213
Energy: 0.5647795025268366
Energy: 0.565484552966697
Energy: 0.6200032330480456
Energy: 0.5874254939475028
Energy: 0.6390718176534628
Energy: 0.6200032330497038
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Energy: 0.6390718176401964
Energy: 0.6200032330463873
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Energy: 0.6390718176352215
Energy: 0.6200032330430707
Energy: 0.5892483517944465
Energy: 0.6312769821431666
Energy: 0.5576700836599929
Energy: 0.5892483517894714
Energy: 0.6312769821431666
Energy: 0.5576700836566763
Energy: 0.5892483517844966
Energy: 0.6312769821415084
Energy: 0.557670083661651
Energy: 0.589248351786155
Energy: 0.5975739165756698
Energy: 0.5963872419654194
Energy: 0.5738018589431758
Energy: 0.5973503643476024
Energy: 0.5963872419604446
Energy: 0.5738018589481507
Energy: 0.5975739165706949
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Energy: 0.5738018589332564
Energy: 0.5973503643476024
Energy: 0.5794292319113014
Energy: 0.6417982066375131
Energy: 0.6031797979665828
Energy: 0.5794292319129596
Energy: 0.6417982066491211
Energy: 0.6031797979715577
Energy: 0.5794292319146178
Energy: 0.641798206642488
Energy: 0.6031797979698993
Energy: 0.5794292319129596
Energy: 0.6925762987334051
Energy: 0.585402751035143
Energy: 0.5857190129042065
Energy: 0.6925762987284302
Energy: 0.5771329147704192
Energy: 0.5779623256522047
Energy: 0.6925762987416965
Energy: 0.5854027510318264
Energy: 0.5857190128975733
Energy: 0.6925762987334051
Energy: 0.5777576751300925
Energy: 0.6535802119711708
Energy: 0.5962777240603804
Energy: 0.5777594785027362
Energy: 0.6535802119595627
Energy: 0.6013472545424265
Energy: 0.5777576751350373
Energy: 0.6535802119595627
Energy: 0.5962777240686719
Energy: 0.577759478512686
Energy: 0.603026599078093
Energy: 0.5554678361851763
Energy: 0.6098177941693538
Energy: 0.6030265990847262
Energy: 0.555467836176885
Energy: 0.6098177941726705
Energy: 0.6030265990963342
Energy: 0.555467836183518
Energy: 0.6098177941710122
Energy: 0.6030265990880427
Energy: 0.6325609531722178
Energy: 0.5572092924641632
Energy: 0.6618314459856359
Energy: 0.6325609531705597
Energy: 0.5569690928850604
Energy: 0.6618314459955857
Energy: 0.6325609531738763
Energy: 0.5572092924757711
Energy: 0.6618314459839777
Energy: 0.6325609531705597
Energy: 0.6235131727220524
Energy: 0.5580905562512877
Energy: 0.6127614261991543
Energy: 0.6235131727154192
Energy: 0.5580905562479712
Energy: 0.612761426214079
Energy: 0.6235131727154192
Energy: 0.558090556252946
Energy: 0.6127614262041293
Energy: 0.6235131727270272
Energy: 0.5593610774535496
Energy: 0.5623734609788295
Energy: 0.6393851642618319
Energy: 0.5593610774552079
Energy: 0.5623734609804879
Energy: 0.6393851642651485
Energy: 0.5593610774552079
Energy: 0.562373460973885
Energy: 0.6393851642551986
Energy: 0.5593610774651575
Energy: 0.6101947570835772
Energy: 0.6462891811602299
Energy: 0.5686956108753283
Energy: 0.6101947570703108
Energy: 0.6462891811635465
Energy: 0.5686960013583073
Energy: 0.6101947570719691
Energy: 0.6462891811701796
Energy: 0.5686956108753283
Energy: 0.6101947570802606
Energy: 0.5659168530583114
Energy: 0.6042685356216552
Energy: 0.6250887820622499
Energy: 0.5659168530666029
Energy: 0.6042685356199969
Energy: 0.6250887820539583
Energy: 0.5659168530649445
Energy: 0.6042685356249717
Energy: 0.6250887820622499
Energy: 0.5659168530649445
Energy: 0.5889353254656026
Energy: 0.620337021092691
Energy: 0.6193063576749733
Energy: 0.5889173694004266
Energy: 0.6203370210893745
Energy: 0.6193063576749733
Energy: 0.5889353254589694
Energy: 0.6203370210877162
Energy: 0.6193063576816065
Energy: 0.5889173694070597
Energy: 0.61699693590675
Energy: 0.5960384541694674
Energy: 0.6125962009017755
Energy: 0.6169969359133831
Energy: 0.5960384541761007
Energy: 0.6125962009034337
Energy: 0.6169969358984584
Energy: 0.596038454172784
Energy: 0.6125962009067504
Energy: 0.6169969359050915
Energy: 0.5691224574940706
Energy: 0.6516770641845725
Energy: 0.5912763719122411
Energy: 0.5691224574824626
Energy: 0.6516770641961807
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Energy: 0.5691224574841208
Energy: 0.6516770641945223
Energy: 0.5912763719172159
Energy: 0.5691224574758295
Energy: 0.6201020458054934
Energy: 0.5646310359370715
Energy: 0.5862596758611749
Energy: 0.6201020457988603
Energy: 0.5646310359370715
Energy: 0.5862596758545718
Energy: 0.6201020458021769
Energy: 0.5646310359337551
Energy: 0.5862596758578582
Energy: 0.6201020458054934
Energy: 0.6014502096488105
Energy: 0.5822596908305354
Energy: 0.6334551016634018
Energy: 0.6014502096372024
Energy: 0.5822596908288772
Energy: 0.6334551016733213
Energy: 0.6014502096421773
Energy: 0.5822596908305354
Energy: 0.6334551016700048
Energy: 0.6014502096388606
Energy: 0.5755500542565063
Energy: 0.702422405091116
Energy: 0.558432043778763
Energy: 0.5755500542581646
Energy: 0.7024224050927742
Energy: 0.558432043778763
Energy: 0.5755500542548481
Energy: 0.7024224051010657
Energy: 0.5584320437804213
Energy: 0.5755500542548481
Energy: 0.6114038999789895
Energy: 0.597621033285335
Energy: 0.5737349361007752
Energy: 0.6109508188550089
Energy: 0.5976388424548695
Energy: 0.5737349360974585
Energy: 0.6114038999740146
Energy: 0.5976210332919681
Energy: 0.5737349361074082
Energy: 0.6109508188467175
Energy: 0.5644165395396628
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Energy: 0.6200900907564886
Energy: 0.6047148441397137
Energy: 0.5964476824195384
Energy: 0.5785215076950322
Energy: 0.6225063360091916
Energy: 0.6025815178709091
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Energy: 0.5562317782016524
Energy: 0.6076759899731446
Energy: 0.6198040723199477
Energy: 0.6283039314752292
Energy: 0.6291339627928189
Energy: 0.663019297250042
Energy: 0.6283039314868372
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Energy: 0.6283039314702544
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Energy: 0.5850211429928395
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Energy: 0.5600799135227268
Energy: 0.6230082538870018
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Energy: 0.6230082538870018
Energy: 0.6041405875708865
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Energy: 0.6230082538820269
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Energy: 0.6171123497402263
Energy: 0.629400769584547
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Energy: 0.5586892390446865
Energy: 0.6170234775775226
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Energy: 0.6020680708044981
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Energy: 0.5914887364741565
Energy: 0.5852004597473434
Energy: 0.6025594472765848
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Energy: 0.611454003691514
Energy: 0.585385910138294
Energy: 0.613454586970526
Energy: 0.6165443231944772
Energy: 0.6025594472566854
Energy: 0.6134545869804757
Energy: 0.6114540036815643
Energy: 0.5853859101349774
Energy: 0.5597856466571749
Energy: 0.6735766711755345
Energy: 0.6258966536028234
Energy: 0.5597856466720994
Energy: 0.6735766711788511
Energy: 0.6258966535912456
Energy: 0.5597856466638081
Energy: 0.6735766711705596
Energy: 0.6258966535895873
Energy: 0.5597856466671246
Energy: 0.6394977283151099
Energy: 0.5658577850037162
Energy: 0.6077816406478952
Energy: 0.639497728310135
Energy: 0.5658577849987413
Energy: 0.6077816406429203
Energy: 0.6394977283035018
Energy: 0.5658577850153241
Energy: 0.6077816406313122
Energy: 0.6394977283018436
Energy: 0.6062321399356247
Energy: 0.6251763830648777
Energy: 0.5572290292648004
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Energy: 0.5623540951385269
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Energy: 0.6251763830681942
Energy: 0.5572290292648004
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Energy: 0.6789859656558918
Energy: 0.5981369701050709
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Energy: 0.6789859656592083
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Energy: 0.5568961114287447
Energy: 0.6789859656641832
Energy: 0.5981369701034127
Energy: 0.5568961114304029
Energy: 0.6789859656658416
Energy: 0.6247494774936297
Energy: 0.6276593771373852
Energy: 0.6008803059941751
Energy: 0.6247494774869966
Energy: 0.6276593771440183
Energy: 0.6008803059941751
Energy: 0.6247494774986045
Energy: 0.6276593771407017
Energy: 0.6008803059941751
Energy: 0.6247494774986045
Energy: 0.625877074813399
Energy: 0.5995966746115349
Energy: 0.5606063749974771
Energy: 0.6258770748200323
Energy: 0.5995966746131932
Energy: 0.5606063750057686
Energy: 0.6258770748266654
Energy: 0.5995966746148514
Energy: 0.5606063750057686
Energy: 0.6258770748200323
Energy: 0.5784314920413901
Energy: 0.6241157674714821
Energy: 0.6028002341040032
Energy: 0.5784314920380735
Energy: 0.6241157674681655
Energy: 0.6028002340957119
Energy: 0.5784314920513399
Energy: 0.6241157674615324
Energy: 0.6028002341056616
Energy: 0.5784314920430484
Energy: 0.6204747425259293
Energy: 0.5888556053959375
Energy: 0.6206459780206416
Energy: 0.6204747425341904
Energy: 0.5811794764148308
Energy: 0.6119767333804685
Energy: 0.6204747425259293
Energy: 0.5888556054108621
Energy: 0.6206459780322495
Energy: 0.6204747425226127
Energy: 0.6200777967981669
Energy: 0.559975009404709
Energy: 0.5698574163054527
Energy: 0.6200777968081166
Energy: 0.5599750094080256
Energy: 0.5698574163037943
Energy: 0.6200777968097749
Energy: 0.5599750094080256
Energy: 0.5698574162938447
Energy: 0.6200777968114332
Energy: 0.6111625669951443
Energy: 0.6765049438628632
Energy: 0.612161261328686
Energy: 0.6111625670017775
Energy: 0.6765049438578883
Energy: 0.612161261328686
Energy: 0.6111625670017775
Energy: 0.6765049438595465
Energy: 0.6121612613187364
Energy: 0.6111625670001192
Energy: 0.6025314432912356
Energy: 0.5599831558925445
Energy: 0.6652825990088818
Energy: 0.6025314432945522
Energy: 0.5599953542758321
Energy: 0.6652825990105401
Energy: 0.6025314432945522
Energy: 0.5599831558743337
Energy: 0.6652825990072234
Energy: 0.6025314432846025
Energy: 0.6008358808418974
Energy: 0.5710124574837231
Energy: 0.6214641047943172
Energy: 0.6008358808352643
Energy: 0.5710124574886979
Energy: 0.6214641047893423
Energy: 0.6008358808418974
Energy: 0.5710124574820648
Energy: 0.6214641047926588
Energy: 0.6008358808435558
Energy: 0.5678162794975004
Energy: 0.5890273690505404
Energy: 0.5693378386384094
Energy: 0.5678162794975004
Energy: 0.5890273690521988
Energy: 0.569353541749618
Energy: 0.5678162794991587
Energy: 0.5890273690571736
Energy: 0.5693378386367511
Energy: 0.5678162794958421
Energy: 0.560630024172939
Energy: 0.5858961537511113
Energy: 0.6214635969582658
Energy: 0.5606300241745972
Energy: 0.5858961537361865
Energy: 0.6214635969499744
Energy: 0.5606300241828887
Energy: 0.5858961537494528
Energy: 0.6214635969549492
Energy: 0.5606300241779139
Energy: 0.5854694714936528
Energy: 0.627512347554174
Energy: 0.6423059107805965
Energy: 0.58546810094285
Energy: 0.6275123475558322
Energy: 0.6423059107789382
Energy: 0.5854694714969694
Energy: 0.6275123475525156
Energy: 0.6423059107822547
Energy: 0.5854681009445082

minimum gb energy = 0.555467836176885 eV
minimum distance =  2.51862456348137 Angstroms
sigma value = 437


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

Energy: 0.5536599980679555
Energy: 0.5694748119644829
Energy: 0.5697317334510036
Energy: 0.5536599980661431
Energy: 0.5694748119644829
Energy: 0.5697317334473788
Energy: 0.5536599980679555
Energy: 0.5694748119644829
Energy: 0.5697317334497953
Energy: 0.5536599980673514
Energy: 0.6726343492837141
Energy: 0.549058369404713
Energy: 0.6047309569463333
Energy: 0.6726343492758603
Energy: 0.5490583694107544
Energy: 0.6047309569439167
Energy: 0.6726343492843183
Energy: 0.5490583694059211
Energy: 0.6047309569457291
Energy: 0.6726343492758603
Energy: 0.6180624535443646
Energy: 0.5398371664864346
Energy: 0.6658441448377669
Energy: 0.6180624535461771
Energy: 0.5398371664864346
Energy: 0.6658441448347462
Energy: 0.6180624535443646
Energy: 0.5398371664864346
Energy: 0.6658441448395793
Energy: 0.618062453545573
Energy: 0.6018428791280247
Energy: 0.6411281299946027
Energy: 0.5619318358926952
Energy: 0.601842879129837
Energy: 0.6411281299970192
Energy: 0.5619318358890705
Energy: 0.6018428791280247
Energy: 0.6411281299946027
Energy: 0.5619318358926952
Energy: 0.601842879129837
Energy: 0.5642963661188886
Energy: 0.5575342516724113
Energy: 0.6649621297333179
Energy: 0.5642963661104305
Energy: 0.5575342516718071
Energy: 0.6649621297272765
Energy: 0.5642963661055974
Energy: 0.5575342516718071
Energy: 0.664962129733922
Energy: 0.5642963660995559
Energy: 0.5622189123341735
Energy: 0.6091436051025015
Energy: 0.5508714662901157
Energy: 0.5622189123287638
Energy: 0.609143605104314
Energy: 0.5508714662883033
Energy: 0.5622189123347776
Energy: 0.6091436051037099
Energy: 0.5508714662901157
Energy: 0.5622189123287638
Energy: 0.5612611695716268
Energy: 0.5618596730345106
Energy: 0.5395985036270742
Energy: 0.5612611695764599
Energy: 0.5618596730333022
Energy: 0.5395985036258658
Energy: 0.5612611695752516
Energy: 0.5618596730345106
Energy: 0.5395985036288866
Energy: 0.5612611695752516
Energy: 0.5521217190298766
Energy: 0.6218726526771929
Energy: 0.5912864268633807
Energy: 0.5521217190371264
Energy: 0.6218726526796096
Energy: 0.591286426868214
Energy: 0.5521217190310849
Energy: 0.6218726526771929
Energy: 0.5912864268633807
Energy: 0.5521217190328973
Energy: 0.6547912276768147
Energy: 0.605387502113092
Energy: 0.559375658082399
Energy: 0.6547912276750297
Energy: 0.6053875021136962
Energy: 0.5593756580817948
Energy: 0.6547912276768147
Energy: 0.6053875021124879
Energy: 0.5593756580830032
Energy: 0.6547912276762106
Energy: 0.591671959461307
Energy: 0.613262556472919
Energy: 0.6223190336305081
Energy: 0.5916719594594946
Energy: 0.6132625564680858
Energy: 0.6223190336353412
Energy: 0.591671959460703
Energy: 0.6132625564741273
Energy: 0.6223190336329248
Energy: 0.5916719594594946
Energy: 0.5913024073009975
Energy: 0.5913818108675842
Energy: 0.5568103574166823
Energy: 0.5913024073046224
Energy: 0.5913818108693967
Energy: 0.5568103574100641
Energy: 0.5913024073009975
Energy: 0.5913818108681884
Energy: 0.5568103574154741
Energy: 0.5913024073052265
Energy: 0.6101744572598908
Energy: 0.5494333219673169
Energy: 0.552163716227182
Energy: 0.6101744572550577
Energy: 0.5494333219727542
Energy: 0.5521637162259736
Energy: 0.6101744572598908
Energy: 0.5494333219673169
Energy: 0.5521637162265778
Energy: 0.6101744572550577
Energy: 0.5593556641566241
Energy: 0.64972804478083
Energy: 0.5595764531771397
Energy: 0.5593556641530267
Energy: 0.649728044776601
Energy: 0.5595764531765355
Energy: 0.5593556641566241
Energy: 0.6497280447820384
Energy: 0.5595764531777438
Energy: 0.5593556641536309
Energy: 0.5580496196741881
Energy: 0.5721603876723995
Energy: 0.5909816688473104
Energy: 0.5580496196729798
Energy: 0.5721603876723995
Energy: 0.5909816687688266
Energy: 0.5580496196741881
Energy: 0.5721603876730035
Energy: 0.590981668810485
Energy: 0.5580496196747924

minimum gb energy = 0.5395985036258658 eV
minimum distance =  2.55634407568663 Angstroms
sigma value = 33