Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.146558970212937
cohesive_energy=6.810535584408941
mass=95.95
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: 0.019688062694734693
Energy: 0.02163572454581428
Energy: 0.021097196881803053
Energy: 33.007531257743814
Energy: 0.021097196881803053
Energy: 0.02163572454581428
Energy: 0.019688062694734693
Energy: 0.02163572454581428
Energy: 0.021097196881803053
Energy: 32.94937265296765
Energy: 1.0509356056266066
Energy: 0.021341507796493426
Energy: 0.02095306292406944
Energy: 1.042824757061906
Energy: 0.020953062922161494
Energy: 0.02134150779458548
Energy: 1.0509356056266066
Energy: 0.021341507796493426
Energy: 0.020953062922161494
Energy: 1.042824757061906
Energy: 0.019688062694734693
Energy: 0.02163572454581428
Energy: 0.021097196881803053
Energy: 5.280071063063796
Energy: 0.021097196881803053
Energy: 0.02163572454581428
Energy: 0.019688062694734693
Energy: 0.02163572454581428
Energy: 0.021097196881803053
Energy: 32.89984899718898
Energy: 1.0509356056266066
Energy: 0.02134150779458548
Energy: 0.02095306292406944
Energy: 1.042824757061906
Energy: 0.020953062922161494
Energy: 0.021341507796493426
Energy: 1.0509356056266066
Energy: 0.02134150779458548
Energy: 0.020953062922161494
Energy: 1.042824757061906
Energy: 0.019688062694734693
Energy: 0.02163572454581428
Energy: 0.021097196881803053
Energy: 32.876404617205665
Energy: 0.021097196879895103
Energy: 0.02163572454581428
Energy: 0.019688062694734693
Energy: 0.02163572454581428
Energy: 0.021097196879895103
Energy: 32.99709328690747
Energy: 1.0509356056266066
Energy: 0.02134150779458548
Energy: 0.020953062922161494
Energy: 1.042824757061906
Energy: 0.02095306292406944
Energy: 0.021341507796493426
Energy: 1.0509356056266066
Energy: 0.02134150779458548
Energy: 0.020953062922161494
Energy: 1.042824757061906
Energy: 0.019688062694734693
Energy: 0.02163572454581428
Energy: 0.021097196881803053
Energy: 32.78110719510006
Energy: 0.021097196879895103
Energy: 0.02163572454581428
Energy: 0.019688062694734693
Energy: 0.02163572454581428
Energy: 0.021097196881803053
Energy: 32.81875355279436

minimum gb energy = 0.019688062694734693 eV
minimum distance =  1.6616782840921 Angstroms
sigma value = 3


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

Energy: 2.6358992881658407
Energy: 2.064380374345786
Energy: 1.9625297020942472
Energy: 2.1113199661036886
Energy: 1.9497568732808785
Energy: 2.064997314337733
Energy: 2.6358992881649055
Energy: 2.064380374344851
Energy: 1.9625297020942472
Energy: 2.1113199661041557
Energy: 2.130979254341535
Energy: 2.0267152842836245
Energy: 1.9447140250732553
Energy: 2.1805394654808405
Energy: 1.9291530317641146
Energy: 1.9969142482895519
Energy: 2.1309792543406005
Energy: 2.02671528428269
Energy: 1.94471402507419
Energy: 2.1805394654822425
Energy: 2.3702385748853283
Energy: 1.9739188327187218
Energy: 1.9463727370517854
Energy: 2.0095326326808816
Energy: 1.9220136334483344
Energy: 1.9455932221330643
Energy: 2.3702385748829915
Energy: 1.9879670905115698
Energy: 1.9463727370531876
Energy: 2.0095326326794796
Energy: 2.112751997752985
Energy: 2.0000419328109427
Energy: 1.9015785821720554
Energy: 1.92464263504845
Energy: 1.8912710027363406
Energy: 2.0549586698269633
Energy: 2.1127519977501805
Energy: 2.0000419328104755
Energy: 1.9015785821720554
Energy: 1.9246426350498522
Energy: 2.0912052263282406
Energy: 1.9118768899724248
Energy: 1.906269341712592
Energy: 1.9755312484035894
Energy: 1.983515343289327
Energy: 1.9794868088128055
Energy: 2.0912052263300676
Energy: 1.91187688997149
Energy: 1.9062693417135266
Energy: 1.9755312484045242
Energy: 1.9163501723409404
Energy: 2.0546075857980037
Energy: 1.905609497014873
Energy: 1.9027610817342446
Energy: 1.9364306348775706
Energy: 2.20393858390754
Energy: 1.9383114559897785
Energy: 2.0546075857966013
Energy: 1.9056094970153403
Energy: 1.9027610817337772
Energy: 2.059588216952481
Energy: 1.902337039830875
Energy: 2.0280776840377532
Energy: 1.902417169841958
Energy: 2.0262703148110317
Energy: 2.1156383317142486
Energy: 2.0595882169529482
Energy: 1.9023370398304076
Energy: 2.028077684038688
Energy: 1.9024171698648582
Energy: 2.007214695963768
Energy: 1.9628605904491465
Energy: 1.9388857275992633
Energy: 1.957342464506059
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Energy: 2.3841848075528054
Energy: 2.0072146959651693
Energy: 1.96286059044681
Energy: 1.9388857275978615
Energy: 1.9573424645051245
Energy: 2.055517906014443
Energy: 1.9443279513421974
Energy: 2.0736842518689236
Energy: 1.9554959155984653
Energy: 1.9711627984740547
Energy: 2.1181949707652246
Energy: 2.05551790601678
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Energy: 2.0736842519021055
Energy: 1.9554959155961285
Energy: 2.011941874711119
Energy: 1.9365472987858001
Energy: 2.0578916713666455
Energy: 1.9641258639414636
Energy: 2.010452356007048
Energy: 2.607107604204083
Energy: 2.0566706691585424
Energy: 1.936547298783931
Energy: 2.0578916713680475
Energy: 1.9641258639400614
Energy: 1.9413396756045005
Energy: 1.9299396630676864
Energy: 2.076266186181032
Energy: 1.902027066263105
Energy: 2.0077487656752404
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Energy: 1.9299396630686212
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Energy: 1.9020270662635723
Energy: 1.9289829088387762
Energy: 2.036420350248091
Energy: 1.9527252321229163
Energy: 2.001722078410863
Energy: 1.9223744803445157
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Energy: 1.9289829088387762
Energy: 2.036420350246222
Energy: 1.9527252321229163
Energy: 2.0017220784113303
Energy: 1.9019130120352998
Energy: 1.8922791710071027
Energy: 2.052150125655129
Energy: 1.8994649778598771
Energy: 2.105862913327813
Energy: 2.042814380426284
Energy: 1.9019130120315613
Energy: 1.8922791710071027
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Energy: 1.9011149819734026
Energy: 1.941433272479228
Energy: 1.9906101672811904
Energy: 1.9003157918245612
Energy: 2.0096491151682376
Energy: 2.106187417685739
Energy: 1.9011149819743371
Energy: 1.9414332724782934
Energy: 1.9906101672816576
Energy: 1.9003157918264306
Energy: 1.9252453042594613
Energy: 1.9738241414438304
Energy: 1.966328557704778
Energy: 1.9299961818538973
Energy: 2.2046765216423636
Energy: 1.9257570429356694
Energy: 1.9252453042622653
Energy: 1.9738241414433633
Energy: 1.966328557704778
Energy: 1.9299961818548321
Energy: 1.9017251200166057
Energy: 1.9813012775124001
Energy: 1.9288934003790648
Energy: 1.9562120900871034
Energy: 2.183571094703091
Energy: 2.0251481810207976
Energy: 1.9017251200147363
Energy: 1.9813012775128676
Energy: 1.9288934003790648
Energy: 1.9562120900885054
Energy: 1.9906942958442642
Energy: 1.9530467009084211
Energy: 1.9215232926009593
Energy: 2.010255786645946
Energy: 2.6098959007992097
Energy: 2.051374711817828
Energy: 1.9906942958442642
Energy: 1.9530467009074863
Energy: 1.9215232926000247
Energy: 2.0102557866468804
Energy: 1.9898089237169296
Energy: 2.4140865653124304
Energy: 1.9447211763453216
Energy: 1.91164988497128
Energy: 2.124142089309273
Energy: 1.996772182697059
Energy: 1.989808923717397
Energy: 2.4140865653110284
Energy: 1.944721176345789
Energy: 1.91164988497128
Energy: 1.925310742008032
Energy: 1.990656012118286
Energy: 1.950517626326048
Energy: 1.9724533132355073
Energy: 2.3840580567940193
Energy: 1.9777043753835146
Energy: 1.9253107420066298
Energy: 1.9906560121234265
Energy: 1.950517626326048
Energy: 1.9724533132373343
Energy: 1.9020195990642996
Energy: 1.9998576122723977
Energy: 1.9019724105722553
Energy: 1.9917807042230702
Energy: 2.086933485918459
Energy: 2.009452130199377
Energy: 1.9020195990614956
Energy: 1.9998576122709955
Energy: 1.9019724105708535
Energy: 1.9917807042197986
Energy: 2.048811686424761
Energy: 1.9107277933526645
Energy: 1.9951183109357158
Energy: 1.9168168799466927
Energy: 2.2039442481722062
Energy: 1.935160273778856
Energy: 2.048811686425229
Energy: 1.9107277933512627
Energy: 1.9951183109366504
Energy: 1.9168168799476277
Energy: 1.8948742195158597
Energy: 1.9069990123447886
Energy: 1.9115537068046788
Energy: 2.0912465345065683
Energy: 1.9722843879209877
Energy: 1.8953152662743293
Energy: 1.8948742195163268
Energy: 1.9069990123471252
Energy: 1.9115537068042114
Energy: 2.091246534507503
Energy: 1.9269823020256687
Energy: 1.9023614268383433
Energy: 1.9818912144771559
Energy: 2.152323435404515
Energy: 2.054821698059208
Energy: 1.8920917590460433
Energy: 1.9269823020247339
Energy: 1.902361426836474
Energy: 1.9818912144771559
Energy: 2.1523234354049823
Energy: 2.036946523090454
Energy: 1.9295060352416094
Energy: 1.9702700524904002
Energy: 2.3709309554752562
Energy: 1.9711838856839647
Energy: 1.9354126841118842
Energy: 2.036946523090454
Energy: 1.929506035244881
Energy: 1.945328436981283
Energy: 2.3709309554766587
Energy: 2.0702804868352764
Energy: 2.146702124954555
Energy: 1.910248659766219
Energy: 2.088825559458717
Energy: 2.014719018544133
Energy: 1.929252174722544
Energy: 2.0702804868362104
Energy: 2.1467021249564247
Energy: 1.9102486597666863
Energy: 2.088825559458717
Energy: 2.026768770358953
Energy: 1.9495293730622585
Energy: 2.0206200784057584
Energy: 2.5571791717740595
Energy: 2.021508975781244
Energy: 1.9625297020956494
Energy: 2.1109416566387527
Energy: 1.949529373061791
Energy: 2.0206200784034216
Energy: 2.5571791717717227
Energy: 2.180539465483644
Energy: 1.9291530317655166
Energy: 1.9969142482900193
Energy: 2.1309792543396657
Energy: 2.026715284284092
Energy: 1.9447140250755919
Energy: 2.1805394654817745
Energy: 1.9291530317631798
Energy: 1.9969142482904865
Energy: 2.1309792543424693
Energy: 2.036946523090921
Energy: 1.9220136334483344
Energy: 1.9455932221344663
Energy: 2.3702385748853283
Energy: 1.971574430073418
Energy: 1.9463727370527202
Energy: 2.036946523090921
Energy: 1.9220136334469324
Energy: 1.9455932221349335
Energy: 2.3702385748834587
Energy: 1.9246426350498522
Energy: 1.8912710027358732
Energy: 2.0548977607348196
Energy: 2.1127519977534517
Energy: 2.0000419328100083
Energy: 1.9015785821711209
Energy: 1.9246426350489174
Energy: 1.8912710027358732
Energy: 2.0548977607338847
Energy: 2.11275199775205

minimum gb energy = 1.8912710027358732 eV
minimum distance =  2.42459083866382 Angstroms
sigma value = 75


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

Energy: 2.870779836511191
Energy: 2.0928081502233016
Energy: 2.1318093254497446
Energy: 2.1163689875079323
Energy: 2.187479827816932
Energy: 2.2988182132291666
Energy: 2.8707798365089103
Energy: 2.092808154759371
Energy: 2.131809325452025
Energy: 2.1163689875079323
Energy: 2.1194947517075517
Energy: 2.062368509462292
Energy: 2.123472069822369
Energy: 2.2141258617149884
Energy: 2.2038778424959062
Energy: 2.1079486750907392
Energy: 2.1194947517075517
Energy: 2.0623685094645725
Energy: 2.1234720698200884
Energy: 2.134485123047083
Energy: 2.077249851700209
Energy: 2.050136475796509
Energy: 2.0606532577839034
Energy: 2.0509125849955767
Energy: 2.0571703160084684
Energy: 2.049716209469975
Energy: 2.0772498517024895
Energy: 2.0501364757942286
Energy: 2.060653257786184
Energy: 2.0509125849955767
Energy: 2.005636923594795
Energy: 2.0769505463355573
Energy: 2.0692999723459184
Energy: 2.051724510597081
Energy: 2.0525843362124783
Energy: 2.081485267620855
Energy: 2.005636923592514
Energy: 2.0769505463355573
Energy: 2.0692999723459184
Energy: 2.051724510597081
Energy: 2.0648067712023344
Energy: 2.075708203424578
Energy: 2.0193103173845315
Energy: 2.2054090988928294
Energy: 2.0749544713635406
Energy: 2.0568904281556755
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Energy: 2.075708203424578
Energy: 2.019310317382251
Energy: 2.2054090988928294
Energy: 2.1054411652166016
Energy: 2.1764053281756115
Energy: 2.1056947622547044
Energy: 2.1344638861489442
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Energy: 2.1056947622547044
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Energy: 2.256584583286973
Energy: 2.244889041308913
Energy: 2.602683277078735
Energy: 2.248318127655393
Energy: 2.096895090282588
Energy: 2.153217909154843
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Energy: 2.6026832770810158
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Energy: 2.105238037644508
Energy: 2.051918116109049
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Energy: 2.0467347012075776
Energy: 2.0765237265155236
Energy: 2.0513757570273365
Energy: 2.0710694846460354
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Energy: 2.0204408578207316
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Energy: 2.051375757029617
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Energy: 2.0820929622389803
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Energy: 2.0703440729242613
Energy: 2.0193708656945417
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Energy: 2.120807923356105
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Energy: 2.229990073259147
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Energy: 2.358066898098311
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Energy: 2.358066898098311
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Energy: 2.0328328026164395
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Energy: 2.062764630679429
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Energy: 2.321683552152631
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Energy: 2.2556220166511003
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Energy: 2.0399198033578223
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Energy: 2.2689987724906073
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Energy: 2.2556220166488203
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Energy: 2.3614551390388616
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Energy: 2.079773153751403
Energy: 2.2223998468659185
Energy: 2.062219946152083
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Energy: 2.1330332545978052
Energy: 2.095808472001855
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Energy: 2.222399846863638
Energy: 2.062219946152083
Energy: 2.0595624695761385
Energy: 2.0221100352598267
Energy: 2.0700982625205793
Energy: 2.0633952195172602
Energy: 2.0104809374711
Energy: 2.0814745140643316
Energy: 2.0595624695738586
Energy: 2.0221100352598267
Energy: 2.0700982625205793
Energy: 2.0633952195172602
Energy: 1.9848742740518404
Energy: 2.0583882689058637
Energy: 2.069353448481341
Energy: 2.076710249623549
Energy: 2.075026378658137
Energy: 2.0052745636059663
Energy: 1.9848742740518404
Energy: 2.0583882689058637
Energy: 2.0693534484836213
Energy: 2.076710249621269
Energy: 2.165514406318435
Energy: 2.1312820204098912
Energy: 1.9857055286325682
Energy: 2.0763732502596643
Energy: 2.026712280220446
Energy: 2.23207796036654
Energy: 2.165514406318435
Energy: 2.1312820204098912
Energy: 1.9857055286325682
Energy: 2.076373250261903
Energy: 2.088932009929739
Energy: 2.08348770165134
Energy: 2.121928659849378
Energy: 2.270783816967382
Energy: 2.3564565130752757
Energy: 2.1259442217289624
Energy: 2.088932009929739
Energy: 2.0834877016490596
Energy: 2.121928659849378
Energy: 2.270783816967382
Energy: 2.20973459199329
Energy: 2.2225265288562372
Energy: 2.131676970815747
Energy: 2.2669670257720473
Energy: 2.1816549103030867
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minimum gb energy = 1.9848742740518404 eV
minimum distance =  2.38098075754162 Angstroms
sigma value = 105


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

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Energy: 2.033086781868357
Energy: 2.0480838670662385
Energy: 2.1577274253324354
Energy: 1.971556014410865
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Energy: 2.1577274253324354
Energy: 1.971556014412128
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Energy: 2.2044544476952423
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Energy: 2.029816528805916
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Energy: 2.068187448344292
Energy: 2.0298165288056347
Energy: 2.288479603658186
Energy: 2.0656054441139933
Energy: 2.3274709132602296
Energy: 2.2421725079541597
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Energy: 2.149961277767232
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Energy: 1.9445039108878552
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Energy: 2.178450964661834
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Energy: 2.048778438081058
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Energy: 1.9830064291740448
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Energy: 2.040572027073669
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Energy: 2.307015311482825
Energy: 2.0298149155143226
Energy: 2.1406179411920827
Energy: 2.2505612687049594
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Energy: 2.072631969871642
Energy: 2.3279286366708605
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Energy: 2.2505612687052396
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Energy: 2.3279286366713743
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Energy: 1.9975472392107285
Energy: 1.9846225814154033
Energy: 2.0945557616707933
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Energy: 1.997547239211009
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Energy: 2.094555761672103
Energy: 2.040835782639808
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Energy: 1.9864682608276656
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Energy: 1.9529641628585117
Energy: 2.1029013520462825
Energy: 1.9788548110396298
Energy: 1.9820951674090093
Energy: 1.9864682608278996
Energy: 2.318914884118413
Energy: 1.9529641628582781
Energy: 2.4606065066200187
Energy: 2.254508141690424
Energy: 2.0770802827006207
Energy: 2.097887796997088
Energy: 2.043628729567308
Energy: 2.031308690293472
Energy: 2.4606065066184755
Energy: 2.254508141689395
Energy: 2.0770802827011354
Energy: 2.097887796997088
Energy: 2.2030838979133676
Energy: 2.083132926335846
Energy: 2.388573106878723
Energy: 2.3950559392117188
Energy: 2.1985883454101036
Energy: 2.191925491261421
Energy: 2.2030838979128533
Energy: 2.0831329263348164
Energy: 2.388573106878489
Energy: 2.3950559392112036
Energy: 2.2400265447424275
Energy: 2.054438613824919
Energy: 2.044021576310372
Energy: 1.9115866955626626
Energy: 2.2088022161033383
Energy: 2.02994809474081
Energy: 2.2400265447431758
Energy: 2.054438613824919
Energy: 2.044021576309624
Energy: 1.9115866955639254
Energy: 2.004486094105625
Energy: 2.0420142928363028
Energy: 1.978400036241875
Energy: 1.9525958488841713
Energy: 2.3191612888436217
Energy: 1.9475907043793432
Energy: 2.004486094104596
Energy: 2.0420142928368175
Energy: 1.978400036241641
Energy: 1.952595848883657
Energy: 1.9848511769685262
Energy: 2.057214459479753
Energy: 1.9617516568077884
Energy: 2.0322978611054965
Energy: 2.103489773298596
Energy: 1.983907230490296
Energy: 1.9848511769693216
Energy: 2.057214459478491
Energy: 1.9617516568077884
Energy: 2.0322978611049822
Energy: 2.1106388996222267
Energy: 2.1251104616828504
Energy: 2.0714834839795473
Energy: 2.030738138982011
Energy: 2.107727833721148
Energy: 2.3126483417358856
Energy: 2.110638899620964
Energy: 2.125110461682055
Energy: 2.0714834839793137
Energy: 2.030738138982011

minimum gb energy = 1.8905792746144257 eV
minimum distance =  2.4195066361936 Angstroms
sigma value = 165


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

Energy: 2.1205036998369162
Energy: 2.4251354712778554
Energy: 1.8956180103901359
Energy: 1.954845430868783
Energy: 1.8956194145513239
Energy: 2.4253265989396016
Energy: 2.1205036998377986
Energy: 2.4251354712778554
Energy: 1.8956180103883695
Energy: 1.954845430867017
Energy: 1.9642205651295497
Energy: 1.9286478588151417
Energy: 1.8967153655613311
Energy: 2.074202779777887
Energy: 1.8084546362465874
Energy: 1.8487072813721648
Energy: 1.9642205651286664
Energy: 1.928647858813375
Energy: 1.896715365560448
Energy: 2.07420277977877
Energy: 1.8479315697174323
Energy: 2.131595865535915
Energy: 1.976303554775724
Energy: 1.8487012654678967
Energy: 1.928542293948252
Energy: 2.2049948114331315
Energy: 1.8479315697174323
Energy: 2.131595865535915
Energy: 1.9763035547801
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Energy: 1.959171174996446
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Energy: 2.132773401691384
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Energy: 1.959171174996446
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Energy: 2.132773401691384
Energy: 1.848474761603151
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Energy: 1.9006156537307837
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Energy: 2.056395518644066
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Energy: 1.930647368156232
Energy: 1.9319611358066529
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Energy: 2.1402907915051204
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Energy: 1.930647368156232
Energy: 1.9319611358057696
Energy: 1.8479482088082075
Energy: 1.8499124964540261
Energy: 1.847971486730182
Energy: 1.8081008205786355
Energy: 2.0746895986816454
Energy: 1.8960045463965134
Energy: 1.9529582975513382
Energy: 1.8499124964531428
Energy: 1.847971486729299
Energy: 1.8081008205777525
Energy: 2.0746895986816454
Energy: 2.096041247668606
Energy: 2.0848531464860187
Energy: 1.9374411050977893
Energy: 2.110868058124711
Energy: 1.896147154624439
Energy: 2.4530766748971957
Energy: 2.096041247668606
Energy: 2.084853146485135
Energy: 1.9374411050969063
Energy: 2.110868058123827
Energy: 2.0742607176475083
Energy: 2.1308029307022873
Energy: 2.078406788117341
Energy: 2.1326225795358837
Energy: 1.9012289518430445
Energy: 1.8488530509789463
Energy: 2.074260717646625
Energy: 2.130802592211426
Energy: 2.078406788117341
Energy: 2.1326225795358837
Energy: 1.8487381603853486
Energy: 2.13353728847303
Energy: 2.029569422816676
Energy: 1.9569333395085737
Energy: 1.8088606508471974
Energy: 1.849047819390967
Energy: 1.8487381603853486
Energy: 2.133537288472147
Energy: 2.029569422816676
Energy: 1.9569333395085737
Energy: 1.849162777120944
Energy: 1.976303554767775
Energy: 2.1317756395555496
Energy: 1.847933845098319
Energy: 2.2049948114340148
Energy: 1.9316643096956847
Energy: 1.849162777120944
Energy: 1.976303554767775
Energy: 2.131775639556433
Energy: 1.847933845099202
Energy: 2.0738991968659675
Energy: 1.8974402509113537
Energy: 1.9289800819546616
Energy: 1.9644796198312204
Energy: 1.8487249553892138
Energy: 1.8084367436850477
Energy: 2.0738991968659675
Energy: 1.8974402509122372
Energy: 1.9289800819546616
Energy: 1.9644796198321037
Energy: 2.004224698605699
Energy: 1.8956194145522072
Energy: 2.4253265989387187
Energy: 2.1205036998369162
Energy: 2.4251354712778554
Energy: 1.8956180103892526
Energy: 2.004224698626013
Energy: 1.8956194145513239
Energy: 2.4253265989387187
Energy: 2.1205036998360325

minimum gb energy = 1.8080902759909765 eV
minimum distance =  2.40459286398734 Angstroms
sigma value = 41


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

Energy: 2.655500593032085
Energy: 2.0393543583575076
Energy: 1.8755405030858
Energy: 2.301956829086872
Energy: 1.8735372121049743
Energy: 2.1098582427361507
Energy: 2.6555005930314
Energy: 2.039354358358193
Energy: 1.8755405030861114
Energy: 2.374251218702353
Energy: 2.064225407819404
Energy: 1.9917783711894037
Energy: 1.8722152269452528
Energy: 1.9271404415026514
Energy: 1.9011721754052393
Energy: 1.8241013323462467
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Energy: 1.9917783711894037
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Energy: 1.9271404415026514
Energy: 1.818767977121695
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Energy: 2.031716732033302
Energy: 1.9316638231624055
Energy: 1.925110848620864
Energy: 1.9977144972129246
Energy: 1.8187679771251215
Energy: 1.8139853738101097
Energy: 2.031716732033302
Energy: 1.9316638231589784
Energy: 1.993073032785616
Energy: 1.808583453549969
Energy: 1.8228328966262957
Energy: 1.9091831815180829
Energy: 1.993864936515744
Energy: 1.8721195497838974
Energy: 1.993073032785616
Energy: 1.8085834535533956
Energy: 1.8228328966228688
Energy: 1.9091831815180829
Energy: 2.071541310983044
Energy: 2.48210799261152
Energy: 1.859251992766637
Energy: 1.879508211692864
Energy: 2.00475410661168
Energy: 1.8788256949364601
Energy: 2.0715413109875302
Energy: 2.482107992614947
Energy: 1.8592519927676339
Energy: 1.879508211690808
Energy: 2.1233708349184024
Energy: 1.7971852713381313
Energy: 1.9182528030474633
Energy: 1.8787471159169282
Energy: 1.94531208451004
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Energy: 1.878747115917925
Energy: 2.036356733179814
Energy: 1.8139415681869495
Energy: 1.8152132585500338
Energy: 2.0751251195039244
Energy: 1.9121446722293989
Energy: 1.918791648293076
Energy: 2.0363567331763868
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Energy: 1.992575923865997
Energy: 1.7834824972625698
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Energy: 1.8726934369413235
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Energy: 2.0107775295841455
Energy: 1.8726934369426942
Energy: 2.139160358540249
Energy: 1.8684565177954222
Energy: 1.965877242922851
Energy: 1.8672419514069176
Energy: 1.799995632025155
Energy: 1.9307095057726096
Energy: 2.5136836435362686
Energy: 1.8717919661737663
Energy: 1.9582400009796952
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Energy: 1.7999956321621633
Energy: 1.9307095057722357
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Energy: 1.9015168263446491
Energy: 2.019156562590094
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Energy: 1.8663700879033074
Energy: 1.894130977667418
Energy: 1.9167539035370895
Energy: 1.8124953440911362
Energy: 1.8219894491560864
Energy: 1.9007863453563425
Energy: 1.8663700878998803
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Energy: 1.9167539035405163
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Energy: 1.8715410734588587
Energy: 2.521999123904054
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Energy: 1.884233388772802
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Energy: 1.866382167902067
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Energy: 1.8002941520218134
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Energy: 1.9153585454359032
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Energy: 1.909683188960817
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Energy: 1.8705256536308785
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Energy: 1.7965399839597915
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Energy: 1.9902010033194644
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Energy: 1.984397576479904
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Energy: 1.9973225588788468
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Energy: 2.260797093496103
Energy: 1.8676684006326094
Energy: 1.9602206396762083
Energy: 2.32286121968354
Energy: 2.2398634279578147
Energy: 1.8734262032033306
Energy: 1.9889829343123993
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Energy: 2.239863427956444
Energy: 1.8734262032033306
Energy: 1.9889829343123993
Energy: 1.7761032142457562
Energy: 1.992420871925709
Energy: 1.8921267905325918
Energy: 1.9266762123561842
Energy: 1.9044991752994518
Energy: 1.8281356248449667
Energy: 1.7761032142457562
Energy: 1.992420871925709
Energy: 1.8921267905332773
Energy: 1.9266762123561842
Energy: 1.8133025638206401
Energy: 1.8170860930741615
Energy: 2.0316708758388557
Energy: 1.8682543547830703
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Energy: 1.8133025638240667
Energy: 1.8170860930707349
Energy: 2.031670875842283
Energy: 1.8682543547864972
Energy: 2.137309911042047
Energy: 1.7993563800436652
Energy: 1.880540771871288
Energy: 1.9005412021163948
Energy: 1.942466311281544
Energy: 1.8849212700606268
Energy: 2.137309911042047
Energy: 1.799356380044039
Energy: 1.8805407718678615
Energy: 1.9005412021198214
Energy: 2.066593840550148
Energy: 2.4789945054684805
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Energy: 1.8739104784448761
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Energy: 1.900833965562119
Energy: 1.8233517102957555
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Energy: 1.883315952695651
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Energy: 1.8218349992619713
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Energy: 2.0186764580949825
Energy: 1.9346993168974078
Energy: 1.9380696696615751
Energy: 2.03259732056691
Energy: 1.8218349992619713
Energy: 1.819973929390821
Energy: 2.0186764580984096
Energy: 1.8734040489895503
Energy: 2.0576630885564287
Energy: 1.938743313129152
Energy: 1.8302364840242757
Energy: 1.904929627065067
Energy: 1.9843744435839685
Energy: 1.8734040489906094
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Energy: 1.9387433131270961
Energy: 1.8302364840242757
Energy: 1.8727858857250745
Energy: 2.128578546406063
Energy: 2.5676143948316987
Energy: 1.9660367290046066
Energy: 1.8796733997259718
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Energy: 1.8727858857233302
Energy: 2.1285785464030105
Energy: 2.5676143948306396
Energy: 1.9660367290066627
Energy: 1.902662755240135
Energy: 2.001898490158946
Energy: 1.898706284713302
Energy: 1.9909632582762113
Energy: 1.8733474885331884
Energy: 1.942381344624002
Energy: 1.902662755240135
Energy: 2.0018984901657997
Energy: 1.8987062847190963
Energy: 1.9909632582796382
Energy: 1.9424492223766174
Energy: 2.01743696266711
Energy: 1.8372069244016538
Energy: 1.8134886975510942
Energy: 2.0345216336474192
Energy: 1.9346214304263663
Energy: 1.9424492223800442
Energy: 2.01743696266711
Energy: 1.8372069244016538
Energy: 1.8134886975510942
Energy: 1.9966106340318805
Energy: 1.8737612418074805
Energy: 1.9959555169207575
Energy: 1.7994037556414102
Energy: 1.8285240203558402
Energy: 1.903841694739721
Energy: 1.9966106340353074
Energy: 1.873761241809848
Energy: 1.9959555169207575
Energy: 1.7994037556414102
Energy: 2.0198022605008688
Energy: 1.875557870434526
Energy: 2.0773634708808135
Energy: 2.487082948524688
Energy: 1.88231235597697
Energy: 1.9546924708771303
Energy: 2.019802260497442
Energy: 1.8755578704338405
Energy: 2.0773634708804396
Energy: 2.487082948524377
Energy: 1.9395469800517668
Energy: 1.8667011895309813
Energy: 2.142709261812382
Energy: 1.8451728635952491
Energy: 1.9672560760188225
Energy: 1.8746119364161273
Energy: 1.9395469800551937
Energy: 1.8667011895275547
Energy: 2.1427092609731964
Energy: 1.845172863594875

minimum gb energy = 1.775843937725435 eV
minimum distance =  2.45287906232915 Angstroms
sigma value = 185


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

Energy: 2.3243427455493375
Energy: 2.0757166767634536
Energy: 2.1181556129280112
Energy: 2.322358190725274
Energy: 2.1182858574891728
Energy: 2.3614548111349656
Energy: 2.3243427455501506
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Energy: 2.206120023356366
Energy: 2.030263833515799
Energy: 1.8314305101642196
Energy: 1.9285787883938559
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Energy: 2.1893352965093253
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Energy: 1.8299301090525795
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Energy: 2.118994006009968
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Energy: 2.2926355986497153
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Energy: 1.8990550301712918
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Energy: 2.2514548429646077
Energy: 2.11884291396994
Energy: 2.4164895168610956
Energy: 2.2181286623657055
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Energy: 2.318572956293406
Energy: 2.118842913970347
Energy: 2.4343265360191304
Energy: 2.2181286623661123
Energy: 1.9285787883946697
Energy: 1.8364575717995228
Energy: 2.0521782580938837
Energy: 2.1716420535292453
Energy: 2.030263833515799
Energy: 1.83143051016544
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Energy: 1.945772780551505
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Energy: 1.8366944386058017
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Energy: 2.292757779479002
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Energy: 1.8356764807560617
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Energy: 2.1085355243500565
Energy: 2.0531083406903123
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Energy: 2.3950504379198363
Energy: 1.8304707822920632
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Energy: 1.835856270668853
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Energy: 2.067215051994974
Energy: 1.9091903075838252
Energy: 2.1206992479498954
Energy: 2.1912217150780378
Energy: 1.8358562706684831
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Energy: 2.0672150519957873
Energy: 1.9014357331640035
Energy: 1.9035617317669469
Energy: 1.934577335329004
Energy: 2.2970413417960733
Energy: 1.8357908207756384
Energy: 2.1604051397812043
Energy: 2.1184671671700936
Energy: 1.8452207085867602
Energy: 1.9345773308206737
Energy: 2.2970413417960733
Energy: 1.8357908207756384
Energy: 2.415421503357855
Energy: 2.105284892967353
Energy: 2.048934902753071
Energy: 2.0898874066394026
Energy: 1.927929443088528
Energy: 1.8311946100374432
Energy: 2.415421503357449
Energy: 2.105284892977116
Energy: 2.0489349027526638
Energy: 2.0898874066385895
Energy: 2.232165997824711
Energy: 2.156787770737631
Energy: 2.3260547839717916
Energy: 1.829930109051766
Energy: 1.9274509051002282
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Energy: 2.156787770736004
Energy: 2.3260547839709775
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Energy: 2.2926547821090826
Energy: 2.2912909447957275
Energy: 1.8355592305563981
Energy: 2.1189940060091548
Energy: 2.2417999464309464
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Energy: 2.324342745548524
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Energy: 2.2061200233559592
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Energy: 2.2927577794794085
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Energy: 2.04720060584142
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Energy: 1.9277550203529077
Energy: 1.8297104148091077
Energy: 2.065601679270119
Energy: 2.108519580982302
Energy: 2.0472006058389796
Energy: 1.8356985936233892
Energy: 1.927755020352094
Energy: 1.8297104148099212
Energy: 2.395050437918616
Energy: 1.8304707822920632
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Energy: 2.090330932350568
Energy: 1.994432167290087
Energy: 2.125444199852374
Energy: 2.395050437919429
Energy: 1.8304707822924695
Energy: 1.926599433092319
Energy: 2.0903309323513817
Energy: 1.837000248802351
Energy: 2.120699247951115
Energy: 2.24702281704188
Energy: 1.8358562706684831
Energy: 2.295210824678779
Energy: 2.0827963453046197
Energy: 1.9014357331623764
Energy: 2.1206992479527424
Energy: 2.244949403740666
Energy: 1.8358562706676695
Energy: 1.8356497835104775
Energy: 2.1890772425881666
Energy: 2.1190650393738517
Energy: 1.8452207085509642
Energy: 1.9345773432023297
Energy: 2.29704134179648
Energy: 1.835649783511291
Energy: 2.1556612976617497
Energy: 2.1190650393742585
Energy: 1.8452207086810952
Energy: 2.0898874066394026
Energy: 1.9295829295629443
Energy: 1.8322170146399264
Energy: 2.415421503358263
Energy: 2.105284892966539
Energy: 2.0489349027526638
Energy: 2.0898874066381827
Energy: 1.9295829295629443
Energy: 1.8322170146382992
Energy: 2.4154215033586692
Energy: 1.829930109052173
Energy: 1.9274509050998214
Energy: 1.8362100866758024
Energy: 2.232165997823084
Energy: 2.1567877707364103
Energy: 2.3260547839709775
Energy: 1.8299301090513593
Energy: 1.9274509050990078
Energy: 1.8362100866758024
Energy: 2.232165997824711
Energy: 2.1189940060103747
Energy: 2.2385272106250214
Energy: 1.8373283061409458
Energy: 2.2926355986489013
Energy: 2.2912909447961343
Energy: 1.837008012565964
Energy: 2.1189940060103747
Energy: 2.238527210624614
Energy: 1.8373283061397254
Energy: 2.2926355986497153
Energy: 1.9279457426594497
Energy: 1.8309534193229313
Energy: 1.8990550301721052
Energy: 2.170673473291623
Energy: 2.0521782580934764
Energy: 1.8409455942524584
Energy: 1.9279457426594497
Energy: 1.8309534193229313
Energy: 1.899055030168851
Energy: 2.170673473290809

minimum gb energy = 1.8297104148091077 eV
minimum distance =  2.40226136145349 Angstroms
sigma value = 33


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

Energy: 2.2159505234436514
Energy: 2.2382864401709335
Energy: 2.123602021603924
Energy: 2.3828307721110855
Energy: 2.1327120887031588
Energy: 2.2386455383346004
Energy: 2.2159505234436514
Energy: 2.238286440173167
Energy: 2.123602021606157
Energy: 2.378282186154869
Energy: 2.2354401895270612
Energy: 2.175785307227107
Energy: 2.1704126611952805
Energy: 2.0462274424076177
Energy: 1.9395936370380085
Energy: 1.9881022203072212
Energy: 2.2354401895292946
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Energy: 2.170412661197514
Energy: 2.0462274424076177
Energy: 2.2286860398780135
Energy: 1.9067775700267826
Energy: 2.170703921761393
Energy: 2.1272971455890555
Energy: 1.9625489526777267
Energy: 1.9415365946627312
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Energy: 1.9067775700245495
Energy: 2.170703921761393
Energy: 2.1272971455890555
Energy: 2.1027340733812823
Energy: 1.9057965835395239
Energy: 2.0226909004039344
Energy: 2.1642121976510533
Energy: 2.118025665938908
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Energy: 2.0226909004017015
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Energy: 2.0205495292100784
Energy: 1.9194824212146455
Energy: 2.0594210779610593
Energy: 2.1706259141019686
Energy: 2.076829913823222
Energy: 2.168822396063941
Energy: 2.0205495292123117
Energy: 1.9194824212168784
Energy: 2.059421077927563
Energy: 2.1706259141019686
Energy: 2.137100220325391
Energy: 1.9042843186864995
Energy: 2.2234413476246915
Energy: 1.9412572772357677
Energy: 1.9594914260322032
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Energy: 2.2562800389397437
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Energy: 2.1751265177544212
Energy: 1.938815472907814
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Energy: 2.047800632125968
Energy: 1.938815472907814
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Energy: 2.2368428680853065
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Energy: 1.9295113506848902
Energy: 1.9427752049123013
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Energy: 2.127315783195434
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Energy: 2.1664380956117895
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Energy: 2.195106702099189
Energy: 2.166438095614023
Energy: 2.1321651105981285
Energy: 1.9118441799966959
Energy: 2.077302642464746
Energy: 2.166485498852132
Energy: 2.022546716012294
Energy: 1.9028474666651944
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Energy: 2.1705667721214574
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Energy: 2.1664854988543647
Energy: 2.022546716012294
Energy: 1.9028474666651944
Energy: 1.959590280871788
Energy: 2.0518901553794833
Energy: 2.134538465501524
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Energy: 1.959590280871788
Energy: 2.0518901553794833
Energy: 2.134538465497058
Energy: 1.9057494724441268
Energy: 1.9588202630765355
Energy: 2.044709579073332
Energy: 2.166746402506983
Energy: 2.2701095185970193
Energy: 2.2428142590573965
Energy: 2.019421827947835
Energy: 1.9588202630787686
Energy: 2.044709579068866
Energy: 2.166746402506983
Energy: 2.270109518599252
Energy: 2.1300831257785107
Energy: 2.191146572017649
Energy: 2.1184698525729364
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Energy: 2.128605699554426
Energy: 2.1746613154823473
Energy: 2.130083125776278
Energy: 2.1911465720198824
Energy: 2.1184698525751693
Energy: 2.256451920918812
Energy: 2.175041758567804
Energy: 2.049663356468768
Energy: 1.9460889302394642
Energy: 1.9444328836573441
Energy: 2.065400599675371
Energy: 2.1102488213045536
Energy: 2.175041758567804
Energy: 2.0496633564710005
Energy: 1.9460889302394642
Energy: 1.9444328836573441
Energy: 2.0306955952104784
Energy: 2.12692150922327
Energy: 1.9848797787709251
Energy: 1.9439978850549908
Energy: 1.934975537856315
Energy: 1.9019377830517057
Energy: 2.0306955952104784
Energy: 2.12692150922327
Energy: 1.9848797787709251
Energy: 1.9439978850527577
Energy: 2.0202582008260683
Energy: 2.161242133581312
Energy: 2.195439767842009
Energy: 2.1562520824811098
Energy: 2.1396692206145316
Energy: 1.9299293614749067
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Energy: 2.1766061742075284
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Energy: 2.1666053999010653
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Energy: 2.0447199569746286
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Energy: 2.2155815790144047
Energy: 2.3111056945191373
Energy: 2.537724789039671
Energy: 2.1783635544514373
Energy: 2.158230209146791
Energy: 2.044153088836883
Energy: 2.2155815790144047
Energy: 2.31110569452137
Energy: 2.1245062985352274
Energy: 2.070342954373909
Energy: 1.9190054158088345
Energy: 1.9440549937346208
Energy: 1.9120066116762022
Energy: 2.1052974897696055
Energy: 2.1245062985352274
Energy: 2.070342954358318
Energy: 1.9190054158066017
Energy: 1.9440549937346208
Energy: 2.278715856331541
Energy: 2.1661223686751576
Energy: 2.056538152658509
Energy: 1.9442574750661914
Energy: 1.9139842505691818
Energy: 1.9026038780092338
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Energy: 2.1661223686751576
Energy: 2.0565381526562763
Energy: 1.9442574750661914
Energy: 2.0207102968005275
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Energy: 2.313985882863692
Energy: 2.13335839885621
Energy: 2.0207102968005275
Energy: 2.1619081581900472
Energy: 2.1973286724950665
Energy: 2.1659018800127607

minimum gb energy = 1.88609340682237 eV
minimum distance =  2.33661059742413 Angstroms
sigma value = 219


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

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Energy: 1.8396633367973882
Energy: 1.83265829774128
Energy: 1.975010071654779
Energy: 1.8323155474897985
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Energy: 1.9723679903117335
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Energy: 1.8397672670611394
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Energy: 1.6898110728878417
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Energy: 1.8349729265659767
Energy: 1.856865329100569
Energy: 1.8340129542486328
Energy: 1.832235020200496
Energy: 1.9172905084896827
Energy: 1.6898206924606949
Energy: 1.8349729265659767
Energy: 1.856865327583449
Energy: 1.8340129542486328
Energy: 1.832235020200496
Energy: 1.8720628355833853
Energy: 1.6902743487792686
Energy: 1.8913993674303111
Energy: 1.832800697486211
Energy: 1.8342361458626342
Energy: 1.8704570660535702
Energy: 1.8720628355833853
Energy: 1.690274348777791
Energy: 1.8913993674303111
Energy: 1.832800697486211
Energy: 1.8325510559722116
Energy: 1.8328699900983119
Energy: 1.832497092944336
Energy: 2.3048313562921225
Energy: 1.7335684055381366
Energy: 1.8397560990587953
Energy: 1.8325510559722116
Energy: 1.8651466598629642
Energy: 1.8324970929428581
Energy: 2.3048313562921225

minimum gb energy = 1.6898110728878417 eV
minimum distance =  2.49582117704204 Angstroms
sigma value = 15


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

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Energy: 2.1435086589937344
Energy: 1.9671462512000857
Energy: 2.4707307616291674
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Energy: 2.112774561121759
Energy: 2.5977631618439663
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Energy: 2.1127745611272104
Energy: 2.5977631618439663
Energy: 2.000409078188821
Energy: 1.9323812489650944
Energy: 2.0262341928898255
Energy: 2.141932084048962
Energy: 2.061565120926702
Energy: 1.965854519871734
Energy: 2.015884179205598
Energy: 1.9323812489650944
Energy: 2.026234192892552
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minimum gb energy = 1.9312516933183375 eV
minimum distance =  2.42480437113867 Angstroms
sigma value = 293


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

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Energy: 1.9487361789180415
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Energy: 2.1238886680682834
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Energy: 2.0574405155661832
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Energy: 2.022091774381871
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Energy: 2.32234622443371
Energy: 2.0663840663008677
Energy: 2.029943081476738
Energy: 2.149983884501856
Energy: 2.1782170760335315
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Energy: 2.2334543627633496
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Energy: 2.029943081477072
Energy: 2.149983884501856
Energy: 2.178217076034867
Energy: 2.063721717059395
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Energy: 2.0636515867319942
Energy: 2.0061028411264243
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Energy: 2.063721717059729
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Energy: 2.1784387831557654
Energy: 2.149994614815058
Energy: 2.0299008284261766
Energy: 2.0658198306594064
Energy: 2.2095557793137273
Energy: 2.140231670156861
Energy: 2.1784387831254177
Energy: 2.149994614814391
Energy: 2.0299008284258426
Energy: 2.0658198306594064
Energy: 2.3223923385929353
Energy: 2.0577607305958
Energy: 2.021693077078493
Energy: 2.022783097909239
Energy: 2.081015957954369
Energy: 2.169438739277858
Energy: 2.3223923385929353
Energy: 2.0577607305947985
Energy: 2.021693077079161
Energy: 2.0227830979102404
Energy: 2.1239962443780813
Energy: 2.1943519677540726
Energy: 2.3044653712611294
Energy: 2.021059268307964
Energy: 1.9682556702987994
Energy: 2.394377937393075
Energy: 2.1239962443780813
Energy: 2.1943519677544066
Energy: 2.3044653712611294
Energy: 2.02105926830763
Energy: 2.202572429579169
Energy: 2.2478089647622177
Energy: 2.1305654910007403
Energy: 2.263909469529413
Energy: 2.0642071741716
Energy: 2.13717092981601
Energy: 2.2025724295795026
Energy: 2.2478089647622177
Energy: 2.130565491001074
Energy: 2.263909469532084

minimum gb energy = 1.9487361789180415 eV
minimum distance =  2.44113548932919 Angstroms
sigma value = 293


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

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Energy: 2.2096110416088717
Energy: 1.8149650259871366
Energy: 2.252268547885617
Energy: 1.8148440905420091
Energy: 2.28594436192008
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Energy: 2.5731373004331353
Energy: 2.141270038369815
Energy: 1.810721715904882
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Energy: 1.8154809518869386
Energy: 2.0174733658797597
Energy: 2.5731373004325317
Energy: 2.1412700383692114
Energy: 1.793621644085848
Energy: 2.2096110416088717
Energy: 1.8149650259865335
Energy: 2.188471049333056
Energy: 1.8148440905426122
Energy: 2.209527729295943
Energy: 1.793621644086451
Energy: 2.209611041607664
Energy: 1.8149650259865335
Energy: 2.188471049333056
Energy: 1.8153405255791868
Energy: 2.540464388798309
Energy: 1.8105427532954625
Energy: 2.4118228460854434
Energy: 2.573094016210079
Energy: 2.0176814137079218
Energy: 1.8153405255785837
Energy: 2.5404637131281116
Energy: 1.810542753294859
Energy: 2.411822846086047
Energy: 1.8403242786224245
Energy: 1.79300850941419
Energy: 2.3477699151362605
Energy: 1.7929306140469417
Energy: 1.8550194057866236
Energy: 1.814470900933735
Energy: 1.8403242786230278
Energy: 1.793008509412983
Energy: 2.3477699151362605
Energy: 1.7929306140475452
Energy: 2.3478672047241234
Energy: 1.7929648595010756
Energy: 1.8402490936669083
Energy: 1.8144311239973938
Energy: 1.8551016060645966
Energy: 1.7927758844048447
Energy: 2.34786720472352
Energy: 1.7929648595010756
Energy: 1.8402490936669083
Energy: 1.8144311239979973
Energy: 1.8107217159042783
Energy: 2.1889292220467986
Energy: 1.815480951887542
Energy: 2.01747336588338
Energy: 2.5731373004325317
Energy: 2.141270038369815
Energy: 1.810721715904882
Energy: 2.1889214263640526
Energy: 1.8154809518869386
Energy: 2.0174733658809663
Energy: 1.8148440905420091
Energy: 2.2095277292965467
Energy: 1.793621644085848
Energy: 2.2096110416088717
Energy: 1.8149650259865335
Energy: 2.188471049333659
Energy: 1.8148440905426122
Energy: 2.2095277292965467
Energy: 1.793621644086451
Energy: 2.2096110416088717
Energy: 2.5730940162106823
Energy: 2.0176814137079218
Energy: 1.8153405255785837
Energy: 2.5404638903491503
Energy: 1.810542753294256
Energy: 2.411822846086047
Energy: 2.573094016210079
Energy: 2.0176814137085253
Energy: 1.8153405255785837
Energy: 2.540463111813131

minimum gb energy = 1.7927758844048447 eV
minimum distance =  2.42971640659663 Angstroms
sigma value = 15


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

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Energy: 2.1074869919432135
Energy: 2.10598280249572
Energy: 2.42145860419454
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Energy: 2.345078318187961
Energy: 2.133349038079129
Energy: 2.166282748734659
Energy: 2.2632764587244103
Energy: 2.2596085906478467
Energy: 2.105315122176111
Energy: 2.345078318187961
Energy: 1.9916911460481501
Energy: 2.298257017618058
Energy: 2.093051786089096
Energy: 2.0862359273427313
Energy: 2.299572625957075
Energy: 2.143598850719655
Energy: 1.9916911460481501
Energy: 2.298257017618058
Energy: 2.093051786089096
Energy: 2.0862359273427313
Energy: 2.0953447581079074
Energy: 2.122254718457209
Energy: 2.4159836457386588
Energy: 2.10184635205877
Energy: 2.019894263284785
Energy: 2.2769446258425976
Energy: 2.0953447581079074
Energy: 2.122254718457209
Energy: 2.4159836457386588
Energy: 2.10184635205877
Energy: 2.2433411328134905
Energy: 2.1188561690244723
Energy: 2.0611275888681826
Energy: 2.0105695339443894
Energy: 2.1032376486081885
Energy: 2.0965397984613867
Energy: 2.2433411328080206
Energy: 2.1188561690244723
Energy: 2.0611275888681826
Energy: 2.0105695339443894
Energy: 2.0268282216066416
Energy: 2.163730583666158
Energy: 2.0924135404748747
Energy: 2.2818720316708805
Energy: 2.102322989821364
Energy: 2.0987588435416167
Energy: 2.0268282216066416
Energy: 2.163730583666158
Energy: 2.0924135404748747
Energy: 2.2818720316708805
Energy: 2.0265791983607597
Energy: 2.1320892819799995
Energy: 2.1048984397013806
Energy: 2.078000550220117
Energy: 2.054632531360197
Energy: 2.1876666392114315
Energy: 2.0265791983580246
Energy: 2.1320892819799995
Energy: 2.1048984397013806
Energy: 2.0780005502228516
Energy: 2.21786299837358
Energy: 1.9960149529738542
Energy: 2.1791161633912655
Energy: 2.008750174026687
Energy: 2.076358459266726
Energy: 2.122285397886435
Energy: 2.21786299837358
Energy: 1.9960149529765894
Energy: 2.1791161633912655
Energy: 2.008750174026687
Energy: 2.196955023081654
Energy: 2.1077386136443654
Energy: 2.017918610477494
Energy: 2.0917329588663796
Energy: 2.3675489757021246
Energy: 2.119571182751697
Energy: 2.196955023081654
Energy: 2.1077386136471
Energy: 2.017918610477494
Energy: 2.0917329588691147
Energy: 2.043261971730814
Energy: 2.143415295703967
Energy: 2.2912038723462085
Energy: 2.096492728862766
Energy: 2.094354271461086
Energy: 2.2993341011138644
Energy: 2.043261971730814
Energy: 2.1434152957012325
Energy: 2.291203872343474
Energy: 2.0964927288655013
Energy: 2.0955957249480797
Energy: 2.058678793524551
Energy: 2.106753955409307
Energy: 2.203436921024177
Energy: 2.1071969054467696
Energy: 2.2738454095835996
Energy: 2.0955957249480797
Energy: 2.0586787935272857
Energy: 2.106753955406572
Energy: 2.2034369210269116
Energy: 2.101483812914879
Energy: 2.2637852378688326
Energy: 2.0878178452969482
Energy: 2.026641794226843
Energy: 2.038004934887907
Energy: 2.1230743615269665
Energy: 2.101483812914879
Energy: 2.2637852378688326
Energy: 2.0878178452969482
Energy: 2.026641794226843
Energy: 2.0326845166742538
Energy: 2.090530068291875
Energy: 2.2961333617790425
Energy: 2.116172206615678
Energy: 2.3206663127944096
Energy: 2.0812610033227035
Energy: 2.0326845166742538
Energy: 2.090530068291875
Energy: 2.2961333617790425
Energy: 2.116172206615678
Energy: 2.2086751137306484
Energy: 2.005832426818409
Energy: 2.30547031768127
Energy: 2.1144695069858446
Energy: 2.061952156584144
Energy: 2.026694695955822
Energy: 2.2086751137306484
Energy: 2.005832426815674
Energy: 2.30547031768127
Energy: 2.1144695069858446
Energy: 2.1087144888152336
Energy: 2.1533033490133735
Energy: 2.007414474586275
Energy: 2.0358327670681695
Energy: 2.032057720899493
Energy: 2.1086536536335525
Energy: 2.1087144888124985
Energy: 2.1533033490133735
Energy: 2.007414474586275
Energy: 2.0358327670681695
Energy: 2.116474998324394
Energy: 2.1936853178956577
Energy: 2.0886212657114847
Energy: 2.0330574651882474
Energy: 2.067646410718334
Energy: 2.2477114297902174
Energy: 2.116474998321659
Energy: 2.1936853178956577
Energy: 2.0886212657114847
Energy: 2.0330574651882474
Energy: 2.1593023012669015
Energy: 2.085138495950802
Energy: 2.2327380669150485
Energy: 2.279695147436344
Energy: 2.104615923380775
Energy: 2.0275702984128916
Energy: 2.1593023012641663
Energy: 2.085138495950802
Energy: 2.2327380669150485
Energy: 2.2796951474390785
Energy: 2.470505569494263
Energy: 2.1061168229320293
Energy: 2.0660133173964863
Energy: 2.11477890820895
Energy: 2.2600597385264196
Energy: 2.0900417566041734
Energy: 2.4705055694969977
Energy: 2.1061168229320293
Energy: 2.0660133173964863
Energy: 2.1147789082116857
Energy: 2.098929962748754
Energy: 2.137250238171852
Energy: 2.139528441928924
Energy: 2.0609020587974434
Energy: 2.2973163234736877
Energy: 2.042723197516985
Energy: 2.098929962748754
Energy: 2.137250238171852
Energy: 2.139528441928924
Energy: 2.0609020587974434
Energy: 2.067496976938464
Energy: 2.020836649787591
Energy: 2.1160700188244803
Energy: 2.2905505744209362
Energy: 2.0867140115472957
Energy: 2.2277896848781293
Energy: 2.067496976938464
Energy: 2.020836649787591
Energy: 2.116070018827215
Energy: 2.290550574423671
Energy: 2.0121654987848845
Energy: 2.066797647918888
Energy: 2.050044217538577
Energy: 2.113208718003976
Energy: 2.096177159469369
Energy: 2.089419489989373
Energy: 2.0121654987848845
Energy: 2.066797647918888
Energy: 2.050044217538577
Energy: 2.113208718003976
Energy: 2.0747945672743344
Energy: 2.1130351580086577
Energy: 2.166935803789113
Energy: 2.0264388725194307
Energy: 2.188603873157524
Energy: 2.0068993259950996
Energy: 2.0747945672743344
Energy: 2.1130351580086577
Energy: 2.166935803789113
Energy: 2.0264388725194307

minimum gb energy = 1.991148152654438 eV
minimum distance =  2.45110814403145 Angstroms
sigma value = 437


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

Energy: 2.1762649210886402
Energy: 2.1603324769584433
Energy: 2.1037363021182025
Energy: 2.201296349342928
Energy: 2.1034561801273512
Energy: 2.160357111410399
Energy: 2.1762649210896368
Energy: 2.160332476957447
Energy: 2.1037363021182025
Energy: 2.2012963493439246
Energy: 1.9794147344974293
Energy: 2.6746011548359596
Energy: 2.0987226526903733
Energy: 2.0446661548185507
Energy: 2.3290626562285106
Energy: 2.002369764673111
Energy: 1.9794147344964328
Energy: 2.6746011548369557
Energy: 2.098722652689377
Energy: 2.0446661548205434
Energy: 2.110394423057874
Energy: 2.078376995961138
Energy: 2.457986967060014
Energy: 1.9973995323549636
Energy: 2.37475348585847
Energy: 2.1231220533988058
Energy: 2.110394423056878
Energy: 2.078376995961138
Energy: 2.4579869670590173
Energy: 1.9973995323529705
Energy: 2.3910484895738033
Energy: 2.0728209699745395
Energy: 2.4472630875368266
Energy: 2.0026986597301293
Energy: 1.9949011457678545
Energy: 2.002561699854506
Energy: 2.3910484895728072
Energy: 2.0728209699745395
Energy: 2.4472630875368266
Energy: 2.0026986597301293
Energy: 1.9746973156603982
Energy: 2.1940161248742256
Energy: 2.105452558424246
Energy: 2.128206395841459
Energy: 1.9749572674521547
Energy: 2.109927316565488
Energy: 1.9746973156434595
Energy: 1.9512784915445378
Energy: 2.105452558421257
Energy: 2.1282063958404636
Energy: 2.002911549850014
Energy: 2.08273147309619
Energy: 2.0606511647471026
Energy: 1.9218099128466468
Energy: 2.0576802043699205
Energy: 2.1445224290616745
Energy: 2.0029115498490175
Energy: 2.082731473095194
Energy: 2.0606511647490953
Energy: 1.9218099128466468
Energy: 2.393881120680837
Energy: 2.031209529536033
Energy: 2.1138894334579112
Energy: 1.9968141049512027
Energy: 2.449154729716337
Energy: 2.0786595749041745
Energy: 2.393881120680837
Energy: 2.031209529537029
Energy: 2.1138894334599043
Energy: 1.9968141049521992
Energy: 1.9493115631139233
Energy: 2.091853859356999
Energy: 2.380327134094031
Energy: 2.0025055593847347
Energy: 1.9856593792528578
Energy: 2.07267749740474
Energy: 1.9493115631139233
Energy: 2.091853859355006
Energy: 2.380327134094031
Energy: 2.0025055593857313
Energy: 1.9755316147848354
Energy: 2.208416187045277
Energy: 2.5612032209707927
Energy: 2.4047971696490262
Energy: 2.1042609587322674
Energy: 2.111297534552033
Energy: 1.9755316147848354
Energy: 2.2084161870472703
Energy: 2.5612032209697966
Energy: 2.4047971696480297
Energy: 2.0511797806615877
Energy: 1.932949237028417
Energy: 2.0187807575523684
Energy: 1.8393326934010201
Energy: 2.098306655108772
Energy: 2.1663798429606964
Energy: 2.0511797806615877
Energy: 1.9329492370294135
Energy: 2.0187807575523684
Energy: 1.8393326934000238
Energy: 2.302180710216932
Energy: 1.996431000197208
Energy: 2.1068344183266334
Energy: 2.0435570661726037
Energy: 2.14425486007162
Energy: 2.028519057035853
Energy: 2.302180710216932
Energy: 1.996431000197208
Energy: 2.10683441832763
Energy: 2.0435570661726037
Energy: 1.844603424528807
Energy: 2.091624877032897
Energy: 2.2492003401918628
Energy: 2.0357195289299503
Energy: 2.249002987578602
Energy: 2.092404317830941
Energy: 1.844603424528807
Energy: 2.091624877032897
Energy: 2.2492003401918628
Energy: 2.0357195289299503
Energy: 2.302156811666555
Energy: 2.0793295238582252
Energy: 2.1442548600736124
Energy: 2.0431062131511055
Energy: 2.107376715382656
Energy: 1.9964812362284414
Energy: 2.302156811666555
Energy: 2.0793295238602183
Energy: 2.14425486007162
Energy: 2.043106213153098
Energy: 2.1365191717254333
Energy: 2.1652685546085078
Energy: 2.0985351358425484
Energy: 2.0432717191664134
Energy: 2.0582278312649898
Energy: 1.9328538685112155
Energy: 2.136519171724437
Energy: 2.165268554609504
Energy: 2.0985351358435445
Energy: 2.0432717191664134

minimum gb energy = 1.8393326934000238 eV
minimum distance =  2.45192655629226 Angstroms
sigma value = 33