Model name: model_name=EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
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=4.073718130588532
cohesive_energy=3.2103875034027074
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: 0.143095413925774 eV

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

Energy: 0.011051240358090608
Energy: 0.13388927243068474
Energy: 0.13388927243068474
Energy: 0.011051240358090608
Energy: 0.13388927243068474
Energy: 0.13388927243068474
Energy: 0.011051240358090608
Energy: 0.13388927243182305
Energy: 0.13388927243068474
Energy: 0.011051240358090608
Energy: 0.1340500253197967
Energy: 0.011566570624114987
Energy: 0.133650525015741
Energy: 0.13405002531865842
Energy: 0.011566570624114987
Energy: 0.133650525015741
Energy: 0.13405002531865842
Energy: 0.011566570624114987
Energy: 0.133650525015741
Energy: 0.13405002531865842
Energy: 0.5477366491352946
Energy: 0.011783731851427455
Energy: 0.011783731852565755
Energy: 0.5477366491352946
Energy: 0.011783731851427455
Energy: 0.011783731852565755
Energy: 0.5477366491352946
Energy: 0.011783731852565755
Energy: 0.011783731852565755
Energy: 0.5158972188389486
Energy: 0.1340500253197967
Energy: 0.13365052501687932
Energy: 0.011566570624114987
Energy: 0.1340500253197967
Energy: 0.13365052501687932
Energy: 0.011566570624114987
Energy: 0.1340500253197967
Energy: 0.13365052501687932
Energy: 0.011566570624114987
Energy: 0.1340500253197967
Energy: 0.011051240359228907
Energy: 0.13388927243182305
Energy: 0.13388927243068474
Energy: 0.011051240359228907
Energy: 0.13388927243182305
Energy: 0.13388927243182305
Energy: 0.011051240358090608
Energy: 0.13388927243182305
Energy: 0.13388927243068474
Energy: 0.011051240359228907
Energy: 0.1340500253197967
Energy: 0.011566570624114987
Energy: 0.13365052501687932
Energy: 0.1340500253197967
Energy: 0.011566570624114987
Energy: 0.13365052501687932
Energy: 0.1340500253197967
Energy: 0.011566570624114987
Energy: 0.13365052501687932
Energy: 0.1340500253197967
Energy: 0.5477366491364329
Energy: 0.011783731852565755
Energy: 0.011783731852565755
Energy: 0.5477366491364329
Energy: 0.011783731852565755
Energy: 0.011783731852565755
Energy: 0.5477366491364329
Energy: 0.011783731852565755
Energy: 0.011783731852565755
Energy: 0.5158972188389486

minimum gb energy = 0.011051240358090608 eV
minimum distance =  2.57504338911377 Angstroms
sigma value = 3


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

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Energy: 0.48157692693784726
Energy: 0.4702225003521909
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Energy: 0.4702225003530273
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Energy: 0.4702225003552579
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Energy: 0.40570448295735395
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Energy: 0.4057044829570752
Energy: 0.46290169722382374
Energy: 0.42139132742182145
Energy: 0.4372061619344249
Energy: 0.5037696169738165
Energy: 0.5040436864820734
Energy: 0.4365236717524717
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Energy: 0.36809887814654113
Energy: 0.4808590249154848
Energy: 0.47231200309736626
Energy: 0.36809887814988707
Energy: 0.48085902491771537

minimum gb energy = 0.35436938672198137 eV
minimum distance =  2.60984659262987 Angstroms
sigma value = 75


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

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Energy: 0.3968104768327383
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minimum gb energy = 0.3927003597361169 eV
minimum distance =  2.53363820156671 Angstroms
sigma value = 105


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

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Energy: 0.4337496974827022
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Energy: 0.4606841932809678
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Energy: 0.4249025527946596
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Energy: 0.43755214544094945
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Energy: 0.4632181689278863
Energy: 0.46339999861028225
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Energy: 0.43173433571866676
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Energy: 0.4600377766374431
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Energy: 0.4601356287772845
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Energy: 0.4094194847628038
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Energy: 0.4305992344245527
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Energy: 0.43473193014013845
Energy: 0.430599234425027
Energy: 0.4474148716489082
Energy: 0.4347319301399989
Energy: 0.43059923442363174
Energy: 0.4474148716490756
Energy: 0.4347319301403058
Energy: 0.4305992344227108
Energy: 0.40983994322570194
Energy: 0.4498417256329093
Energy: 0.4653269518411238
Energy: 0.4098399432266229
Energy: 0.4498417256319884
Energy: 0.4653269518392819
Energy: 0.409839943224502
Energy: 0.4498417256301465
Energy: 0.46532695184081685
Energy: 0.40983994322388806
Energy: 0.4348442276849362
Energy: 0.42053737048465006
Energy: 0.4355773215196228
Energy: 0.43484422768694553
Energy: 0.4205699319488475
Energy: 0.4355773215199297
Energy: 0.4348442276838758
Energy: 0.4205373704850966
Energy: 0.43557732151976236
Energy: 0.4348442276832618
Energy: 0.43466967053768263
Energy: 0.44304491087862186
Energy: 0.4662392244274095
Energy: 0.43466967053676175
Energy: 0.44307391803461144
Energy: 0.4662392244255676
Energy: 0.4346696705361477
Energy: 0.44304491087906844
Energy: 0.4662392244260141
Energy: 0.4346696705355338
Energy: 0.4533867499349995
Energy: 0.4320743246403147
Energy: 0.4274323263696856
Energy: 0.45338674993605993
Energy: 0.43207432463922635
Energy: 0.4274323263718345
Energy: 0.4533867499356135
Energy: 0.4320743246398403
Energy: 0.42743232636876466
Energy: 0.4533867499345251
Energy: 0.4353847893016026
Energy: 0.45364039113169824
Energy: 0.44056952211654854
Energy: 0.435384789302691
Energy: 0.4262143234283933
Energy: 0.44056952211456707
Energy: 0.4353847893025235
Energy: 0.45364039113077725
Energy: 0.44056952211364614
Energy: 0.4353847893025235
Energy: 0.43643950635755335
Energy: 0.4522677305627499
Energy: 0.4573357539353931
Energy: 0.43643950635632545
Energy: 0.45349199606791013
Energy: 0.4573357539332442
Energy: 0.43643950635755335
Energy: 0.452267730561522
Energy: 0.4573357539320163
Energy: 0.43643950635693934
Energy: 0.4520557454715035
Energy: 0.40881151246960323
Energy: 0.4488647037222519
Energy: 0.45205574547409894
Energy: 0.40883097154877074
Energy: 0.4488647037231727
Energy: 0.4520557454742663
Energy: 0.4088115124665335
Energy: 0.4488647037231727
Energy: 0.4520557454715035

minimum gb energy = 0.4088115124665335 eV
minimum distance =  2.56915920542529 Angstroms
sigma value = 165


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

Energy: 0.40769058645044953
Energy: 0.4232882480221799
Energy: 0.43526558347003197
Energy: 0.38977765358245836
Energy: 0.42328824802059906
Energy: 0.43526558347055894
Energy: 0.4076905864488688
Energy: 0.42328824802059906
Energy: 0.4352655834689782
Energy: 0.38977765358245836
Energy: 0.4531346475487144
Energy: 0.394910506373205
Energy: 0.4692821514509483
Energy: 0.4531346475487144
Energy: 0.394910506373205
Energy: 0.46928215145042146
Energy: 0.4531346475492413
Energy: 0.394910506373205
Energy: 0.46928215145042146
Energy: 0.45313464754713356
Energy: 0.39812105351082494
Energy: 0.40612541952168946
Energy: 0.39471935564845045
Energy: 0.39812105351135185
Energy: 0.40612541952010867
Energy: 0.3948373858481581
Energy: 0.39812105351135185
Energy: 0.40612541952168946
Energy: 0.3947193556516121
Energy: 0.3981210535129326
Energy: 0.44624622072440173
Energy: 0.4464095641988245
Energy: 0.3954651273035412
Energy: 0.4462462207249286
Energy: 0.4464095641998783
Energy: 0.395465127305122
Energy: 0.4462462207254555
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Energy: 0.39546512730670286
Energy: 0.4462462207249286
Energy: 0.4149714465096918
Energy: 0.3982590381500911
Energy: 0.3936600974597808
Energy: 0.4149714561345395
Energy: 0.3982590381506181
Energy: 0.39366009745767305
Energy: 0.4149714415529611
Energy: 0.3982590381516719
Energy: 0.39366009745872693
Energy: 0.4149714483573464
Energy: 0.3943897066450494
Energy: 0.4566810554022054
Energy: 0.44055703756052544
Energy: 0.39438970664610323
Energy: 0.4566810554022054
Energy: 0.4405570375594717
Energy: 0.39438970664663014
Energy: 0.45668105540062454
Energy: 0.44055703756155534
Energy: 0.3943897066455763
Energy: 0.4130130176763629
Energy: 0.39171124669798907
Energy: 0.4354960002109375
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Energy: 0.3917112466974621
Energy: 0.4354960002093806
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Energy: 0.39171124669482743
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Energy: 0.4130130176795246
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Energy: 0.39302545366655567
Energy: 0.39480947101085484
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Energy: 0.39302545366497493
Energy: 0.39480947101190866
Energy: 0.41972633198133097
Energy: 0.4155621693828366
Energy: 0.45372294994425055
Energy: 0.39152664704933166
Energy: 0.4155621693823096
Energy: 0.4537229499431967
Energy: 0.39148873312613275
Energy: 0.4155621693823096
Energy: 0.4537229499426697
Energy: 0.3915266470488047
Energy: 0.4155621693823096
Energy: 0.42437518090498116
Energy: 0.44068878338057943
Energy: 0.4617744127930524
Energy: 0.40669917912223497
Energy: 0.44068878338110634
Energy: 0.4617744127935794
Energy: 0.4243751809055081
Energy: 0.4406887833821602
Energy: 0.4617744127930524
Energy: 0.4066991791227619
Energy: 0.4078162297454099
Energy: 0.3949693438340099
Energy: 0.4297458132591882
Energy: 0.3947752958034945
Energy: 0.39496934445813403
Energy: 0.40361404500790254
Energy: 0.40781622974751763
Energy: 0.3949693424008573
Energy: 0.42974581326076894
Energy: 0.39477529580296766
Energy: 0.44087168332711996
Energy: 0.3951066329843203
Energy: 0.43545597887424703
Energy: 0.44087168332922766
Energy: 0.395106632986428
Energy: 0.4354559788753009
Energy: 0.44087168332870075
Energy: 0.39510663298537413
Energy: 0.4354559788758278
Energy: 0.44087168332870075
Energy: 0.41372470999406735
Energy: 0.3960959452285486
Energy: 0.42403217681626837
Energy: 0.41372470999459426
Energy: 0.3960959452301294
Energy: 0.4240321767820419
Energy: 0.4137247099951212
Energy: 0.39609594522907554
Energy: 0.4240321767841496
Energy: 0.41372470999406735
Energy: 0.4231283433593052
Energy: 0.4352690368920919
Energy: 0.39429036841450155
Energy: 0.4231283433603591
Energy: 0.4352690368941996
Energy: 0.39429036841344767
Energy: 0.4231283433603591
Energy: 0.43526903689472646
Energy: 0.39429036841186693
Energy: 0.4231283433593052
Energy: 0.3897776535814045
Energy: 0.42328824802059906
Energy: 0.43526558347003197
Energy: 0.3897776535814045
Energy: 0.42328824802059906
Energy: 0.43526558347055894
Energy: 0.38977765358087757
Energy: 0.42328824802165294
Energy: 0.43526558346950506
Energy: 0.3897776535814045

minimum gb energy = 0.38977765358087757 eV
minimum distance =  2.63217480928275 Angstroms
sigma value = 41


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

Energy: 0.41485692724411305
Energy: 0.35641738148335
Energy: 0.3562167151185999
Energy: 0.37846182418207946
Energy: 0.35641738148498553
Energy: 0.3562167151169644
Energy: 0.41485692724757006
Energy: 0.35641738148457663
Energy: 0.3562167151177822
Energy: 0.37846182418207946
Energy: 0.35935881409115555
Energy: 0.3314562478600725
Energy: 0.37106085790336873
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Energy: 0.3710608579078665
Energy: 0.359358814082383
Energy: 0.3314562478653881
Energy: 0.37106085790151017
Energy: 0.3593588140866577
Energy: 0.3692098090425024
Energy: 0.33539002667560663
Energy: 0.3394369294351273
Energy: 0.3691740380813442
Energy: 0.33539002667705636
Energy: 0.33954858748719946
Energy: 0.36920980904068096
Energy: 0.3353900266786919
Energy: 0.33943692943981096
Energy: 0.36917403808688276
Energy: 0.3287778055052447
Energy: 0.32849774369349954
Energy: 0.34279136917262854
Energy: 0.32877780550892466
Energy: 0.3284977436949492
Energy: 0.34277927800734237
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Energy: 0.34279136917876185
Energy: 0.3287778055066572
Energy: 0.340834407281368
Energy: 0.36943348133777487
Energy: 0.34349510912989484
Energy: 0.3408344072830035
Energy: 0.3694334813369571
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Energy: 0.3408344072866835
Energy: 0.3694334813398193
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Energy: 0.3408344072825946
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Energy: 0.3673595061472228
Energy: 0.36819310913972597
Energy: 0.33932347390280865
Energy: 0.36735950614235335
Energy: 0.3681931091417704
Energy: 0.3393234738999465
Energy: 0.3673595061425392
Energy: 0.36819310913868514
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Energy: 0.3398853429261682
Energy: 0.3277620606334446
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Energy: 0.3398853429263541
Energy: 0.32776206063589786
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Energy: 0.3412830202762704
Energy: 0.3184208442849323
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Energy: 0.3412830202760474
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Energy: 0.3412830202760474
Energy: 0.37161392466264365
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Energy: 0.3612036023926483
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Energy: 0.36968426635718976
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Energy: 0.3488483463510585
Energy: 0.3334115488075745
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Energy: 0.3450747181200596
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Energy: 0.32817471647863916
Energy: 0.35228859936798407
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Energy: 0.3281747164761859
Energy: 0.35225045104307184
Energy: 0.34999251176457696
Energy: 0.3281747164782303
Energy: 0.352288599542914
Energy: 0.3499925117639822
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Energy: 0.38671395535418307
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Energy: 0.38671395535336534
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Energy: 0.3776984093013532
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Energy: 0.37769840929540566
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Energy: 0.3565341624924109
Energy: 0.35554991965336963
Energy: 0.33708350535670084
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Energy: 0.3555499196550052
Energy: 0.3370835053610128
Energy: 0.35653416249813535
Energy: 0.3555499196550052
Energy: 0.33708350535997206
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Energy: 0.32727283125813833
Energy: 0.36038941070483144
Energy: 0.3419347285631817
Energy: 0.3272728312585472
Energy: 0.36038941070483144
Energy: 0.3419347285639994
Energy: 0.3272728312565028
Energy: 0.36038941070646696
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Energy: 0.32727283125977386
Energy: 0.33471708611645207
Energy: 0.36365303540372834
Energy: 0.38067453436565724
Energy: 0.33471708611481643
Energy: 0.36365303540595867
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Energy: 0.33471708611604317
Energy: 0.3636530354055498
Energy: 0.3806745343632039
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Energy: 0.3672162327866902
Energy: 0.3623876601404663
Energy: 0.342975322288043
Energy: 0.36721623278646714
Energy: 0.35639674591926906
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Energy: 0.34157120735254437
Energy: 0.36967472240549776
Energy: 0.33007389701036494
Energy: 0.34531170831178226
Energy: 0.3620243608496757
Energy: 0.3300738970035997
Energy: 0.34157120735577834
Energy: 0.343007761887361
Energy: 0.35597372298202623
Energy: 0.32743832878919205
Energy: 0.343007761887361
Energy: 0.35597372298388485
Energy: 0.3274383287902329
Energy: 0.34300776188776994
Energy: 0.35597372298407065
Energy: 0.32743832878837426
Energy: 0.34300776188858767
Energy: 0.34321519523787614
Energy: 0.37105181655142755
Energy: 0.33146514298761426
Energy: 0.35503660330635883
Energy: 0.3710518165483423
Energy: 0.3314651429892498
Energy: 0.3432151952364636
Energy: 0.3710518165442534
Energy: 0.3314651429859787
Energy: 0.35503660330472325
Energy: 0.33681335097316906
Energy: 0.3557659289342806
Energy: 0.3540666870430237
Energy: 0.3368130178406502
Energy: 0.355765928933054
Energy: 0.35406668704179706
Energy: 0.3368133509748047
Energy: 0.35576592893651093
Energy: 0.3540666870393809
Energy: 0.3368130178361524
Energy: 0.38117820181519224
Energy: 0.3423482687069966
Energy: 0.3703941771929763
Energy: 0.38117820181519224
Energy: 0.3423482687102677
Energy: 0.37039417719461193
Energy: 0.38117820181601003
Energy: 0.3423482687110855
Energy: 0.3703941771943889
Energy: 0.3811782018141886
Energy: 0.33782831738574043
Energy: 0.3472708928404488
Energy: 0.3466707335731155
Energy: 0.33503051917113547
Energy: 0.34727089284249324
Energy: 0.3466707335759777
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Energy: 0.34727089284249324
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Energy: 0.35275354959092076
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Energy: 0.3324589666113765
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Energy: 0.3672264873029426
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Energy: 0.3804148893329474
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Energy: 0.35357316275641115
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Energy: 0.37414184382610016
Energy: 0.35357316275600226
Energy: 0.33983756619665023
Energy: 0.36021718390955687
Energy: 0.3300721844677513
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Energy: 0.3602171839073266
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Energy: 0.34235362590327695
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Energy: 0.35627412565600214
Energy: 0.3547759682600881
Energy: 0.39725928616683914
Energy: 0.35627412566049993
Energy: 0.35477596825986507
Energy: 0.3787254066197582
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Energy: 0.3547759682621326
Energy: 0.39725928616542655
Energy: 0.3562741256584555
Energy: 0.33342459437336763
Energy: 0.37631059801368094
Energy: 0.34423589203896515
Energy: 0.3334245943745944
Energy: 0.36742142774063385
Energy: 0.33491253992591835
Energy: 0.33342459437377653
Energy: 0.3763105980150934
Energy: 0.3442358920416415
Energy: 0.33342459437295874
Energy: 0.33387477216374556
Energy: 0.34439646730445317
Energy: 0.34629328575330204
Energy: 0.33387477216010275
Energy: 0.34437978587234613
Energy: 0.3461133471683361
Energy: 0.3338747721621472
Energy: 0.3443964673064976
Energy: 0.3462932857488043
Energy: 0.3338747721649722
Energy: 0.33354172591844017
Energy: 0.34311604089091063
Energy: 0.3287936041308778
Energy: 0.33354172591516906
Energy: 0.34315843545197683
Energy: 0.32879360413046893
Energy: 0.33354172591557796
Energy: 0.3431160408894981
Energy: 0.3287936041280156
Energy: 0.333541725919481
Energy: 0.3700967985125105
Energy: 0.33989301090756097
Energy: 0.343491700712272
Energy: 0.37009679850741795
Energy: 0.33989652184581154
Energy: 0.3434917007141306
Energy: 0.3700967985051505
Energy: 0.3398930109063343
Energy: 0.3434917007112684
Energy: 0.37009679850619126
Energy: 0.34358122387236706
Energy: 0.35601212912617247
Energy: 0.3380954451684647
Energy: 0.34358122387359374
Energy: 0.35601212912085684
Energy: 0.33809544516701506
Energy: 0.34358122387645595
Energy: 0.35601212912271546
Energy: 0.3380954451688736
Energy: 0.34358122387277595

minimum gb energy = 0.3184208442849323 eV
minimum distance =  2.61294046974245 Angstroms
sigma value = 185


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

Energy: 0.21496747993734397
Energy: 0.16966208187556794
Energy: 0.16957514997430942
Energy: 0.14719187603616324
Energy: 0.16966208187629603
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Energy: 0.18953775604815626
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Energy: 0.13002715890059882
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Energy: 0.180386473542867
Energy: 0.10251399813338605
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Energy: 0.16957514997576556
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Energy: 0.16957514997576556
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Energy: 0.17554031711624288
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Energy: 0.18694227226631144
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Energy: 0.17106860402447208
Energy: 0.18294259423884282
Energy: 0.21463739504717236
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Energy: 0.17669733025324702
Energy: 0.21463739504884913
Energy: 0.17106860402447208
Energy: 0.18294259423641596
Energy: 0.21463739504884913
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Energy: 0.24435734820271332
Energy: 0.14777578818947346
Energy: 0.16556123833783096
Energy: 0.24435734819858768
Energy: 0.12543657972617658
Energy: 0.1655612383388017
Energy: 0.244357348194462
Energy: 0.14777578818874537
Energy: 0.16556123833661754
Energy: 0.24435734819834498
Energy: 0.16010511144691592
Energy: 0.17743818615517312
Energy: 0.1699023367974461
Energy: 0.13002715890059882
Energy: 0.18728745041183728
Energy: 0.16990233679938757
Energy: 0.16010511144691592
Energy: 0.1774381861544451
Energy: 0.16990233679817415
Energy: 0.1300271589013269
Energy: 0.10245340006476987
Energy: 0.10261931710354731
Energy: 0.17657099474711976
Energy: 0.1253484451894031
Energy: 0.12555954670852712
Energy: 0.17657099474711976
Energy: 0.1024534000679248
Energy: 0.10261931710257657
Energy: 0.17657099474663443
Energy: 0.12534844519013114
Energy: 0.1803864735426243
Energy: 0.2149807687527412
Energy: 0.1776281926468133
Energy: 0.18038647353971207
Energy: 0.21498076875468267
Energy: 0.17762819264899746
Energy: 0.18038647353825596
Energy: 0.2149807687524985
Energy: 0.17762819264729865
Energy: 0.18038647354044013

minimum gb energy = 0.10245340006476987 eV
minimum distance =  2.66000399500422 Angstroms
sigma value = 33


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

Energy: 0.32316362950587935
Energy: 0.3364852725951496
Energy: 0.338710916122873
Energy: 0.3120810559743345
Energy: 0.3364852725978142
Energy: 0.3387109161255376
Energy: 0.3231636295018825
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Energy: 0.3387109161268699
Energy: 0.3120810559743345
Energy: 0.3415259336837303
Energy: 0.3043426698166551
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Energy: 0.32869653748300237
Energy: 0.3415259336797335
Energy: 0.33235250409946177
Energy: 0.3044021270642561
Energy: 0.31341506376904266
Energy: 0.3323525041021263
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Energy: 0.3134150637743718
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Energy: 0.3134150637743718
Energy: 0.33235250409946177
Energy: 0.3446329955661613
Energy: 0.2989108339291736
Energy: 0.327079991691806
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Energy: 0.2989108339291736
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Energy: 0.3404698701722786
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Energy: 0.32514992911793544
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Energy: 0.3081605393434032
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Energy: 0.31520885673227866
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Energy: 0.36678335295302295
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Energy: 0.3667833529543552
Energy: 0.3220330448023603
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Energy: 0.3667833529543552
Energy: 0.32203304479969574
Energy: 0.32748182718971347
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Energy: 0.3250019618089227
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Energy: 0.3113664606683836
Energy: 0.32500196180759044
Energy: 0.34577405167348835
Energy: 0.31136906956682764
Energy: 0.3250019618089227
Energy: 0.34577405167879316
Energy: 0.31136646066971585
Energy: 0.3250019618089227
Energy: 0.3042747366872778
Energy: 0.3190033516009062
Energy: 0.340880100935299
Energy: 0.3042747366872778
Energy: 0.3190445034439107
Energy: 0.34081730227125656
Energy: 0.30427473668461325
Energy: 0.3190033516009062
Energy: 0.34088010093796356
Energy: 0.30427473668461325
Energy: 0.2949913207948196
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Energy: 0.32681336282055184
Energy: 0.3067105647162628

minimum gb energy = 0.28047369404619854 eV
minimum distance =  2.53019467736324 Angstroms
sigma value = 219


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

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Energy: 0.4362382692830936
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Energy: 0.37317819139958136
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Energy: 0.45783085718661715
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Energy: 0.42725920007794266
Energy: 0.4143357287930125
Energy: 0.426817119189795
Energy: 0.42725920007794266
Energy: 0.4143357287930125

minimum gb energy = 0.3700809625568229 eV
minimum distance =  2.60662201923864 Angstroms
sigma value = 15


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

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minimum gb energy = 0.44340311103867075 eV
minimum distance =  2.56188168806671 Angstroms
sigma value = 293


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

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Energy: 0.4490000311574326
Energy: 0.4764736989821542
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Energy: 0.44719744948916196
Energy: 0.44900003115504267
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Energy: 0.4496949658098325
Energy: 0.4774569818330591
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Energy: 0.47745698183325835
Energy: 0.44925243558225675
Energy: 0.48144010958940214
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Energy: 0.45032846972648866
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Energy: 0.45523087661868317
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Energy: 0.4495802972780803
Energy: 0.4566746464052554
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Energy: 0.4499627663800918
Energy: 0.4566746464042596
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Energy: 0.45694529246110305
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Energy: 0.45694529246150134
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Energy: 0.45694529246070476
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Energy: 0.4569452924609038
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Energy: 0.44801674560567367
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Energy: 0.45509751634276996
Energy: 0.4478363637082432
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Energy: 0.45115758380719023
Energy: 0.4423756028373413
Energy: 0.4618283271917734
Energy: 0.4471974494883653
Energy: 0.4490000311564368
Energy: 0.4764736989821542
Energy: 0.44719744948896284
Energy: 0.44900003115544096
Energy: 0.4764736989827516
Energy: 0.44719744948856455
Energy: 0.4490000311560384
Energy: 0.4764736989823533
Energy: 0.4471974494899586
Energy: 0.4492524355826551
Energy: 0.4496949658100317
Energy: 0.47745698183226254
Energy: 0.4492524355830534
Energy: 0.4496949658098325
Energy: 0.47745698183286
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Energy: 0.44969496581023083
Energy: 0.47745698183226254
Energy: 0.44925243558205763
Energy: 0.4814401095896013
Energy: 0.45043056292443473
Energy: 0.4503284697270862
Energy: 0.4814401095890038
Energy: 0.45043056292443473
Energy: 0.450328469726887
Energy: 0.4814401095898004
Energy: 0.45043056292463385
Energy: 0.4503284697272853
Energy: 0.481440109589203
Energy: 0.4492566891003887
Energy: 0.4772912563387917
Energy: 0.44961487358795404
Energy: 0.449256689100787
Energy: 0.47729125633998665
Energy: 0.44961487358755575
Energy: 0.44925668910018957
Energy: 0.47729125633938924
Energy: 0.44961487358755575
Energy: 0.44925668910058786
Energy: 0.4473525984492966
Energy: 0.47653840609316633
Energy: 0.4489853404945263
Energy: 0.44735259844810166
Energy: 0.4765384060925689
Energy: 0.4489853404931322
Energy: 0.4473525984492966
Energy: 0.4765384060921706
Energy: 0.4489853404937297
Energy: 0.4473525984506907
Energy: 0.46189919875137914
Energy: 0.4425008920696374
Energy: 0.4511287560248373
Energy: 0.4618991987517774
Energy: 0.44250089206884075
Energy: 0.45112875602443897
Energy: 0.4618991987501841
Energy: 0.44250089206864157
Energy: 0.4511287560248373
Energy: 0.4618991987495867
Energy: 0.455230876618484
Energy: 0.4711293226783398
Energy: 0.4478693539626502
Energy: 0.45523087661868317
Energy: 0.47112932267873814
Energy: 0.44786935396304856
Energy: 0.455230876618484
Energy: 0.4711293226783398
Energy: 0.44786935396304856
Energy: 0.455230876618484

minimum gb energy = 0.44237560283594723 eV
minimum distance =  2.5644959431739 Angstroms
sigma value = 293


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

Energy: 0.4382782641597083
Energy: 0.4398794042288994
Energy: 0.4399310285798226
Energy: 0.4382782641600682
Energy: 0.439879404395496
Energy: 0.43993102858090255
Energy: 0.4382782641600682
Energy: 0.43987940434475786
Energy: 0.43993102858270233
Energy: 0.4382782641597083
Energy: 0.45442996853532086
Energy: 0.4385864794932187
Energy: 0.4544172645084888
Energy: 0.4544299685360408
Energy: 0.43858647949213886
Energy: 0.45441726450776887
Energy: 0.45442996853532086
Energy: 0.4385864794928587
Energy: 0.45441726450776887
Energy: 0.4544299685360408
Energy: 0.4395018921891603
Energy: 0.4387696414300349
Energy: 0.490474338519325
Energy: 0.43950189218952035
Energy: 0.4387696414307548
Energy: 0.49047433851860506
Energy: 0.4395018921888003
Energy: 0.4387696414253718
Energy: 0.49047433851896505
Energy: 0.4395018921891603
Energy: 0.49269178124924473
Energy: 0.4388609889631304
Energy: 0.4394040825363467
Energy: 0.49269178125068464
Energy: 0.43886098896493025
Energy: 0.4394040825349069
Energy: 0.4926917812499647
Energy: 0.4388609889642102
Energy: 0.43940408253598673
Energy: 0.49269178125068464
Energy: 0.45441520234656085
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Energy: 0.4544421022481691
Energy: 0.45441520234800065
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Energy: 0.4544421022478091
Energy: 0.45441520234656085
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Energy: 0.4544421022478091
Energy: 0.4544152023476406
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Energy: 0.43993102858090255
Energy: 0.43827826415934834
Energy: 0.4398794044624161
Energy: 0.43993102857946265
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Energy: 0.4398794043094979
Energy: 0.4399310285798226
Energy: 0.4382782641597083
Energy: 0.4398794032430468
Energy: 0.4385864794928587
Energy: 0.45441726450812875
Energy: 0.4544299685356808
Energy: 0.4385864794924988
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Energy: 0.4544299685360408
Energy: 0.4385864794928587
Energy: 0.4544172645084888
Energy: 0.4544299685360408
Energy: 0.4385864794932187
Energy: 0.43876964142895497
Energy: 0.49047433851968497
Energy: 0.43950189218988023
Energy: 0.43876964143759406
Energy: 0.49047433851968497
Energy: 0.4395018921888003
Energy: 0.43876964143111474
Energy: 0.4904743385175252
Energy: 0.43950189218952035
Energy: 0.43876964142967484
Energy: 0.4388609889638503
Energy: 0.4394040825349069
Energy: 0.49269178125068464
Energy: 0.4388609889627704
Energy: 0.4394040825363467
Energy: 0.49269178125176455
Energy: 0.4388609889642102
Energy: 0.4394040825349069
Energy: 0.4926917812496047
Energy: 0.4388609889638503
Energy: 0.4385832861841016
Energy: 0.4544421022478091
Energy: 0.45441520234692073
Energy: 0.4385832861841016
Energy: 0.4544421022481691
Energy: 0.45441520234836064
Energy: 0.4385832861844616
Energy: 0.45444210224744913
Energy: 0.45441520234656085
Energy: 0.4385832861844616
Energy: 0.4399310285791027
Energy: 0.43827826416042825
Energy: 0.43987940448039775
Energy: 0.4399310285805425
Energy: 0.43827826415934834
Energy: 0.43987940428862027
Energy: 0.43993102858270233
Energy: 0.4382782641600682
Energy: 0.43987940373920453
Energy: 0.43993102858090255
Energy: 0.4544172645084888
Energy: 0.4544299685360408
Energy: 0.43858647949357865
Energy: 0.4544172645084888
Energy: 0.45442996853532086
Energy: 0.4385864794924988
Energy: 0.45441726450776887
Energy: 0.4544299685356808
Energy: 0.4385864794932187
Energy: 0.45441726450812875
Energy: 0.49047433851860506
Energy: 0.4395018921902403
Energy: 0.43876964142967484
Energy: 0.49047433851860506
Energy: 0.4395018921891603
Energy: 0.43876964143759406
Energy: 0.4904743385175252
Energy: 0.43950189218808045
Energy: 0.43876964142249203
Energy: 0.4904743385182452
Energy: 0.43940408253598673
Energy: 0.4926917812514045
Energy: 0.4388609889631304
Energy: 0.43940408253454694
Energy: 0.49269178125104457
Energy: 0.4388609889642102
Energy: 0.43940408253598673
Energy: 0.49269178125032465
Energy: 0.4388609889627704
Energy: 0.4394040825349069
Energy: 0.4544421022478091
Energy: 0.45441520234692073
Energy: 0.4385832861844616
Energy: 0.4544421022481691
Energy: 0.45441520234656085
Energy: 0.4385832861844616
Energy: 0.45444210224744913
Energy: 0.4544152023472808
Energy: 0.43858328618374165
Energy: 0.4544421022478091
Energy: 0.43827826416042825
Energy: 0.43987940438397727
Energy: 0.4399310285805425
Energy: 0.4382782641600682
Energy: 0.4398794043152573
Energy: 0.4399310285816224
Energy: 0.43827826415934834
Energy: 0.4398794045235769
Energy: 0.43993102857946265
Energy: 0.4382782641600682
Energy: 0.4544299685360408
Energy: 0.4385864794924988
Energy: 0.45441726450812875
Energy: 0.4544299685360408
Energy: 0.4385864794932187
Energy: 0.4544172645084888
Energy: 0.4544299685360408
Energy: 0.4385864794928587
Energy: 0.45441726450812875
Energy: 0.4544299685356808
Energy: 0.43950189218952035
Energy: 0.4387696414357943
Energy: 0.49047433851968497
Energy: 0.43950189218808045
Energy: 0.4387696414268116
Energy: 0.49047433851860506
Energy: 0.4395018921891603
Energy: 0.43876964142141217
Energy: 0.4904743385178852
Energy: 0.43950189218952035
Energy: 0.49269178125068464
Energy: 0.4388609889645702
Energy: 0.43940408253598673
Energy: 0.4926917812514045
Energy: 0.4388609889642102
Energy: 0.43940408253454694
Energy: 0.49269178125104457
Energy: 0.4388609889627704
Energy: 0.43940408253598673
Energy: 0.49269178124924473
Energy: 0.45441520234656085
Energy: 0.4385832861848215
Energy: 0.4544421022478091
Energy: 0.4544152023476406
Energy: 0.4385832861848215
Energy: 0.4544421022478091
Energy: 0.4544152023476406
Energy: 0.4385832861848215
Energy: 0.4544421022481691
Energy: 0.4544152023472808
Energy: 0.43987940434799744
Energy: 0.4399310285805425
Energy: 0.43827826415934834
Energy: 0.43987940431993683
Energy: 0.43993102858090255
Energy: 0.43827826415934834
Energy: 0.4398794037179832
Energy: 0.4399310285801826
Energy: 0.4382782641589884
Energy: 0.43987940435231704
Energy: 0.4385864794932187
Energy: 0.45441726450776887
Energy: 0.4544299685356808
Energy: 0.4385864794928587
Energy: 0.45441726450812875
Energy: 0.4544299685360408
Energy: 0.43858647949357865
Energy: 0.4544172645084888
Energy: 0.45442996853532086
Energy: 0.4385864794928587

minimum gb energy = 0.4382782641589884 eV
minimum distance =  2.58405783283849 Angstroms
sigma value = 15


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

Energy: 0.47900578821462764
Energy: 0.4737590143796426
Energy: 0.46828700575933135
Energy: 0.46707776440931437
Energy: 0.4737590143796426
Energy: 0.46828700576259474
Energy: 0.4790057882162594
Energy: 0.47375901437801093
Energy: 0.46828700575769966
Energy: 0.46707776440931437
Energy: 0.45570038049343053
Energy: 0.4564414671005353
Energy: 0.4513986165027992
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Energy: 0.46069785185547446
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Energy: 0.5101385548955312
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Energy: 0.4728235820063158
Energy: 0.44702964983817756
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Energy: 0.477950504695726
Energy: 0.447511193070449
Energy: 0.5163548153942089
Energy: 0.47795050469735767
Energy: 0.4475273365540416
Energy: 0.5163548153909753
Energy: 0.477950504695726
Energy: 0.4475111930737124
Energy: 0.5163548153958406
Energy: 0.47795050469735767
Energy: 0.47104142866972937
Energy: 0.44666234117675796
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Energy: 0.4710414286680977
Energy: 0.44666234117349457
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Energy: 0.4710414286729928
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Energy: 0.4710414286713611
Energy: 0.44359674707683694
Energy: 0.444265505155959
Energy: 0.46983187087608164
Energy: 0.44359674707357355
Energy: 0.44426550515269553
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Energy: 0.44359674707194185
Energy: 0.4442655051543273
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Energy: 0.47121063577674316
Energy: 0.5028455927989177
Energy: 0.45546400334442744
Energy: 0.47121063577347977
Energy: 0.502845592797286
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Energy: 0.4712106357718481
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Energy: 0.4535840951880847
Energy: 0.45542700000552216
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Energy: 0.4554270000022588
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Energy: 0.453584095191348
Energy: 0.45542700000389047
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Energy: 0.47841791970585834
Energy: 0.4816204241548478
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Energy: 0.4784179197090921
Energy: 0.48162042415321604
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Energy: 0.4602335767401473
Energy: 0.4543981195633706
Energy: 0.46952005784595474
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Energy: 0.4543981195633706
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Energy: 0.451807244098697
Energy: 0.47151924899463743
Energy: 0.4599292357418259
Energy: 0.45180724409546325
Energy: 0.4715192489962691
Energy: 0.45992923574832306
Energy: 0.4518072441003287
Energy: 0.47151924899463743
Energy: 0.45992923574832306
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Energy: 0.4939214957931213
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Energy: 0.46550718542773784
Energy: 0.44011431349651753
Energy: 0.46742158046081167
Energy: 0.488266181973462
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Energy: 0.44011431349328384
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Energy: 0.48826618197835714
Energy: 0.44011431349491553
Energy: 0.5289103727266159
Energy: 0.45375348028627255
Energy: 0.4763268760158908
Energy: 0.5289103727233525
Energy: 0.4537534802911677
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Energy: 0.5289103727249842
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Energy: 0.4763268760175225
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Energy: 0.4543786828681795
Energy: 0.4551642704648629
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Energy: 0.46834984746220476
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Energy: 0.4539679326802499
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Energy: 0.47128119710561345
Energy: 0.4539679326786182
Energy: 0.46834984746383646
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Energy: 0.4539679326802499
Energy: 0.46834984746220476
Energy: 0.4758055858119743
Energy: 0.460653014702584
Energy: 0.44833106224637714
Energy: 0.4758055859506094
Energy: 0.46065301470584746
Energy: 0.4483310622496405
Energy: 0.47580558578589677
Energy: 0.46065301470911085
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Energy: 0.4758055859065832
Energy: 0.4545316984108178
Energy: 0.48338871809139194
Energy: 0.4706713278851415
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Energy: 0.48338871809302364
Energy: 0.47067132788024635
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Energy: 0.510990919991879
Energy: 0.4660166400635816
Energy: 0.466908203074296
Energy: 0.5109909199935108
Energy: 0.4661102153903071
Energy: 0.47906390401965243
Energy: 0.5109909199951425
Energy: 0.4660166400684767
Energy: 0.466908203074296
Energy: 0.5109909199935108
Energy: 0.4785395715483859
Energy: 0.44211046322007397
Energy: 0.4643405747355262
Energy: 0.47853957155164933
Energy: 0.4421104632184423
Energy: 0.46434057473063106
Energy: 0.47853957155328103
Energy: 0.4421104632217057
Energy: 0.46434057473226276
Energy: 0.4785395715500176
Energy: 0.46941957773091236
Energy: 0.48166298465767643
Energy: 0.46685216334457796
Energy: 0.4694195777341758
Energy: 0.48166298465767643
Energy: 0.46685216334457796
Energy: 0.4694195777341758
Energy: 0.48166298465767643
Energy: 0.46685216334294627
Energy: 0.46941957773091236
Energy: 0.4702126574502791
Energy: 0.44465779500486347
Energy: 0.4548517592440448
Energy: 0.47021265744701574
Energy: 0.44465147171640074
Energy: 0.4548517592424131
Energy: 0.47021265744864743
Energy: 0.44465779500486347
Energy: 0.4548517592440448
Energy: 0.4702126574519109
Energy: 0.466819382701981
Energy: 0.45599610265939405
Energy: 0.47098041436977406
Energy: 0.4668193827068761
Energy: 0.4559961026544989
Energy: 0.47098041437140575
Energy: 0.4668193827052444
Energy: 0.4559961026512355
Energy: 0.47098041436977406
Energy: 0.46681938270361273
Energy: 0.46104171517795717
Energy: 0.46247341660680275
Energy: 0.45290503109024755
Energy: 0.4610417151746937
Energy: 0.46247341660517105
Energy: 0.4532468419870972
Energy: 0.4610417151763254
Energy: 0.46247341661006613
Energy: 0.452905031093511
Energy: 0.46104171517958886
Energy: 0.44571027109762945
Energy: 0.44588408310580757
Energy: 0.47235525099064624
Energy: 0.44571027109762945
Energy: 0.4458840831025441
Energy: 0.4723552509841195
Energy: 0.44571027109762945
Energy: 0.4458840831041758
Energy: 0.4723552509873829
Energy: 0.44571027109762945
Energy: 0.45376222275448463
Energy: 0.4957674665211744
Energy: 0.4695335959183637
Energy: 0.466834378843475
Energy: 0.49576746651954273
Energy: 0.4695335959151003
Energy: 0.45376222275611633
Energy: 0.4957674665211744
Energy: 0.4695335959151003
Energy: 0.466834378843475

minimum gb energy = 0.4373156126323506 eV
minimum distance =  2.55512450119603 Angstroms
sigma value = 437


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

Energy: 0.44726511860582474
Energy: 0.48237156612513254
Energy: 0.4823119377532203
Energy: 0.44726511860582474
Energy: 0.48237156612513254
Energy: 0.4823119377538148
Energy: 0.44726511860582474
Energy: 0.48237156612513254
Energy: 0.4823119377538148
Energy: 0.44726511860523027
Energy: 0.49415969165961643
Energy: 0.44165780911481656
Energy: 0.4419244222854042
Energy: 0.49415969165902196
Energy: 0.44165780911481656
Energy: 0.4419244222865931
Energy: 0.49415969165961643
Energy: 0.44165780911481656
Energy: 0.44192442228480966
Energy: 0.49415969165961643
Energy: 0.493778419717978
Energy: 0.4367339894417231
Energy: 0.458846955288882
Energy: 0.4937784197191669
Energy: 0.43673398944053415
Energy: 0.45884695529007086
Energy: 0.49377841971738345
Energy: 0.4367339894417231
Energy: 0.45884695529185426
Energy: 0.4937784197185724
Energy: 0.4530953519296715
Energy: 0.4904851708090202
Energy: 0.4499939643926696
Energy: 0.45309535193086037
Energy: 0.4904851708072368
Energy: 0.4499939643926696
Energy: 0.453095351929077
Energy: 0.4904851708090202
Energy: 0.4499939643926696
Energy: 0.4530953519302659
Energy: 0.4493994658089268
Energy: 0.44287567204976386
Energy: 0.48345170447374736
Energy: 0.4493994658101157
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Energy: 0.4834517044755307
Energy: 0.4493994658089268
Energy: 0.44287567204976386
Energy: 0.48345170447612523
Energy: 0.4493994658101157
Energy: 0.44944735644974027
Energy: 0.47933657477243846
Energy: 0.44136266627833404
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Energy: 0.4494473564503347
Energy: 0.4793365747730329
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Energy: 0.44944735644974027
Energy: 0.4349608103262196
Energy: 0.44592750701302647
Energy: 0.43664034753999803
Energy: 0.4349608103262196
Energy: 0.44592750701362094
Energy: 0.43664034754118697
Energy: 0.43496081032562517
Energy: 0.44592750701362094
Energy: 0.43664034753999803
Energy: 0.43496081032562517
Energy: 0.4461453778004127
Energy: 0.4822265680288722
Energy: 0.47122948491988637
Energy: 0.4461453778004127
Energy: 0.4822265680288722
Energy: 0.47122948491988637
Energy: 0.4461453777998183
Energy: 0.4822265680288722
Energy: 0.47122948491988637
Energy: 0.4461453778004127
Energy: 0.499101664356418
Energy: 0.44252042240148814
Energy: 0.44263957352575334
Energy: 0.4991016643570124
Energy: 0.4425204224020825
Energy: 0.4426395735251589
Energy: 0.4991016643570124
Energy: 0.44252042240148814
Energy: 0.44263957352575334
Energy: 0.4991016643570124
Energy: 0.47751306171791885
Energy: 0.45736069407822993
Energy: 0.4981732289318228
Energy: 0.47751306171791885
Energy: 0.45736069407882435
Energy: 0.49817322893122834
Energy: 0.47751306171791885
Energy: 0.45736069407882435
Energy: 0.4981732289318228
Energy: 0.4775130617185133
Energy: 0.48018079009820636
Energy: 0.43956219395729135
Energy: 0.4461936568683607
Energy: 0.48018079009761183
Energy: 0.43956219395729135
Energy: 0.4461936568689551
Energy: 0.48018079009761183
Energy: 0.43956219395729135
Energy: 0.4461936568683607
Energy: 0.48018079009761183
Energy: 0.45483884931635143
Energy: 0.4398913506581306
Energy: 0.4564676669126659
Energy: 0.45483884931635143
Energy: 0.4398913506563472
Energy: 0.45646766691207147
Energy: 0.45483884931635143
Energy: 0.4398913506581306
Energy: 0.4564676669126659
Energy: 0.45483884931635143
Energy: 0.44290131220623596
Energy: 0.5171758913669124
Energy: 0.4428285386863002
Energy: 0.4429013122068304
Energy: 0.5171758913681015
Energy: 0.4428285386863002
Energy: 0.44290131220623596
Energy: 0.5171758913669124
Energy: 0.4428285386863002
Energy: 0.4429013122068304
Energy: 0.46273710343948493
Energy: 0.4479295386307782
Energy: 0.4809999360843649
Energy: 0.4627371034406738
Energy: 0.4479295386307782
Energy: 0.48099993608377045
Energy: 0.46273710343948493
Energy: 0.4479295386307782
Energy: 0.48099993608377045
Energy: 0.4627371034406738

minimum gb energy = 0.43496081032562517 eV
minimum distance =  2.57591404853635 Angstroms
sigma value = 33