Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_005
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=4.050180745124819
cohesive_energy=3.5802830731630406
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.12362104130164e-19, 2.8430303935003197e-19, 3.31376591033586e-19, 3.69136689943698e-19, 4.03176534709662e-19, 4.3350734056791597e-19, 4.59094101412896e-19, 4.7997206513055e-19, 4.96908674328564e-19, 5.10727447796814e-19, 5.22086880131874e-19, 5.314868504435519e-19, 5.39310278947374e-19, 5.45864783557068e-19, 5.5140511035744e-19, 5.56128327074472e-19, 5.60188242665028e-19, 5.636825899037819e-19, 5.66662638443022e-19, 5.69131592636016e-19, 5.71073430716424e-19, 5.724689265646379e-19, 5.73302058414318e-19, 5.735792349719999e-19, 5.73286036647978e-19, 5.72363182906794e-19, 5.70765812802696e-19, 5.68487517629148e-19, 5.65138968464088e-19, 5.6030520155931e-19, 5.53819590544878e-19, 5.45515509050856e-19, 5.352071045877e-19, 5.226764811331859e-19, 5.07643257776364e-19, 4.89718105595172e-19, 4.68330649707906e-19, 4.42636543028448e-19, 4.1141492696168994e-19, 3.73017161751246e-19, 3.25357213419648e-19, 2.65829942760012e-19, 1.91186135558586e-19, 9.710119664487719e-20, -2.2595336851638598e-20, -1.7677615891238999e-19, -3.77676291402918e-19, -6.43320381673386e-19, -1.0025876635516438e-18]
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: -9.5367431640625e-07 eV

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

Energy: 0.012444894164993522
Energy: 0.0565182100525827
Energy: 0.05605951569098978
Energy: 0.05648161309260434
Energy: 0.013511243669648032
Energy: 0.01365437018494691
Energy: 0.05615560219209526
Energy: 0.056157918867315276
Energy: 0.0564412342869751
Energy: 0.013441502964423188
Energy: 0.05657696929160629
Energy: 0.05602392483405215
Energy: 0.05752700024862098
Energy: 0.055970816258645056
Energy: 0.056171146996908235
Energy: 0.0565807204202093
Energy: 0.05623391374487504
Energy: 0.05755092705655621
Energy: 0.056141303206812265
Energy: 0.056565225308719644
Energy: 0.05579310641561236
Energy: 0.01336936575828897
Energy: 0.013206600345679912
Energy: 0.056276492284254256
Energy: 0.05622381135817312
Energy: 0.05710715534973125
Energy: 0.013427020019758264
Energy: 0.01317883269243634
Energy: 0.056189752195765476
Energy: 0.056419865796482734
Energy: 0.05594897254339164
Energy: 0.013263795171440992
Energy: 0.013325603921261092
Energy: 0.0558715037300939
Energy: 0.05644056165276831
Energy: 0.05596324701464563
Energy: 0.013338108156695904
Energy: 0.013318149277491868
Energy: 0.05587646912550802
Energy: 0.05632231283922219
Energy: 0.056050336945703036
Energy: 0.05668546057465672
Energy: 0.055865987803291266
Energy: 0.013316692925287924
Energy: 0.013270728884347093
Energy: 0.055887675777284644
Energy: 0.056685828935412824
Energy: 0.055900922452702666
Energy: 0.013441287831004619
Energy: 0.05614054823875145
Energy: 0.055868892522814004
Energy: 0.056083574689598674
Energy: 0.05616492332062506
Energy: 0.013335965348396173
Energy: 0.013451162134946308
Energy: 0.05598184219126062
Energy: 0.38476913329509693
Energy: 0.05628540332626392
Energy: 0.0134498483041211
Energy: 0.013565205628363731
Energy: 0.01371373135807845
Energy: 0.05615412834154704
Energy: 0.0559681160851411
Energy: 0.05672506857713579
Energy: 0.05594973191886471
Energy: 0.013570807385935942
Energy: 0.056190787336503394
Energy: 0.056058345153904336
Energy: 0.05684495530460119
Energy: 0.055972660826185766

minimum gb energy = 0.012444894164993522 eV
minimum distance =  2.83129982983526 Angstroms
sigma value = 3


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

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Energy: 0.34371420017163695
Energy: 0.339066142029797
Energy: 0.3383078204460326
Energy: 0.34983585152037683
Energy: 0.45790052460660813
Energy: 0.3414364089286197
Energy: 0.3389176507331112
Energy: 0.338668163128588
Energy: 0.3350921660276859
Energy: 0.2730533508466525
Energy: 0.36660459569523884
Energy: 0.34073036463069495
Energy: 0.3406346270767265
Energy: 0.2804335362176974
Energy: 0.2703836549063468
Energy: 0.37264449797976223
Energy: 0.37778384081816435
Energy: 0.3461926692242366
Energy: 0.2766151747742161
Energy: 0.2785797155703047
Energy: 0.3546212993380728
Energy: 0.28432202032109655
Energy: 0.3237762836973327
Energy: 0.27847217283069253
Energy: 0.272097211858815
Energy: 0.35507610765622616
Energy: 0.3383406366816427
Energy: 0.27547742678197307
Energy: 0.3486533471404125
Energy: 0.2948330573823496
Energy: 0.34199611182571166
Energy: 0.28621297032616083
Energy: 0.2806537868815093
Energy: 0.2814434522564615
Energy: 0.2784889118515014
Energy: 0.36105720035961036
Energy: 0.3391459572063396
Energy: 0.2920647213955782
Energy: 0.2991988216689502
Energy: 0.3632241316420296
Energy: 0.3840298815741538
Energy: 0.37214711781943394
Energy: 0.29301295552709805
Energy: 0.2866239525167441
Energy: 0.3544547856728842
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Energy: 0.3559034059533487
Energy: 0.28645215528374607
Energy: 0.2924584262665891
Energy: 0.3557824458743412
Energy: 0.3316688596657318
Energy: 0.35913201967997327
Energy: 0.2850978465603375
Energy: 0.34433027904350694
Energy: 0.35598633023674897
Energy: 0.3481003071887234
Energy: 0.3473633807509826
Energy: 0.2846398234849228
Energy: 0.3829161209227052
Energy: 0.34367335529008236
Energy: 0.3439790985343049
Energy: 0.3586314550756599
Energy: 0.2902779426824099
Energy: 0.34595502403578116
Energy: 0.380587315106006
Energy: 0.3479519887768849
Energy: 0.289768150214071
Energy: 0.2907249954803874
Energy: 0.34627038381467756
Energy: 0.374517088869955
Energy: 0.34568841030259917
Energy: 0.3548064702783735
Energy: 0.34088257373689257
Energy: 0.3442322913999989
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Energy: 0.34959910619314816
Energy: 0.3436033360889475
Energy: 0.35391038448027173
Energy: 0.3466939313761893
Energy: 0.3476286237460182
Energy: 0.3048622486382092
Energy: 0.292290974902365
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Energy: 0.3835587043425298
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Energy: 0.3407120438351086
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Energy: 0.3622634769730354
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Energy: 0.34550102340779365
Energy: 0.3438589208392762
Energy: 0.3485611322425626
Energy: 0.28483325803263887
Energy: 0.28591243881117195
Energy: 0.34317784384941524
Energy: 0.34318381258966585
Energy: 0.34925088450945396
Energy: 0.394973277788274
Energy: 0.35280720085225076
Energy: 0.3402820003584958
Energy: 0.3424464584312117
Energy: 0.3370178525370386
Energy: 0.36548916066273557
Energy: 0.3545234631519625
Energy: 0.34173815994109347
Energy: 0.3428184491995368
Energy: 0.3446752922083637
Energy: 0.28237229441671
Energy: 0.36224965183030006
Energy: 0.34256458126835715
Energy: 0.34798317871595996
Energy: 0.28976483451706
Energy: 0.28826489122088217
Energy: 0.3458309143450616
Energy: 0.38332329286736005
Energy: 0.3515276198795648
Energy: 0.2889781080435752
Energy: 0.2902802055262053
Energy: 0.355644897323128
Energy: 0.3017080870433026
Energy: 0.28936606508738993
Energy: 0.33107552963556774
Energy: 0.3065329526070316
Energy: 0.35921089843394705
Energy: 0.29363039604716773
Energy: 0.3168131307634363
Energy: 0.28539470973978487
Energy: 0.29097224333444877
Energy: 0.29363879943797
Energy: 0.34552915670356693
Energy: 0.3269163731439397
Energy: 0.3150824676102476
Energy: 0.31708960038303097
Energy: 0.2926541714973175
Energy: 0.3639454621590757
Energy: 0.28820222139867213
Energy: 0.3148968350048817
Energy: 0.3623103542215438
Energy: 0.34420307532135586
Energy: 0.3653197812914364
Energy: 0.28769613434803004
Energy: 0.2905481499347166
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Energy: 0.3411145639204472
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Energy: 0.288418262149697
Energy: 0.3550635889912394
Energy: 0.3940957838460196
Energy: 0.35996106247345255
Energy: 0.2851419504906863
Energy: 0.3657183471273599
Energy: 0.3550602298265599
Energy: 0.3519429989021462
Energy: 0.3676746817137491
Energy: 0.39749142942351434
Energy: 0.34325766497887045
Energy: 0.3818600784883403
Energy: 0.34697241365790105
Energy: 0.3341770093716186
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Energy: 0.34918298598991154
Energy: 0.3817736075160239
Energy: 0.34444929031419663
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Energy: 0.29479714515709143
Energy: 0.340658951014954
Energy: 0.37379428876811255
Energy: 0.3481365832304811
Energy: 0.3623698382739132
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Energy: 0.34932372237344705
Energy: 0.37315338224052896
Energy: 0.3467263058872376
Energy: 0.3600759961869358
Energy: 0.3405159234706691
Energy: 0.3429759839966372
Energy: 0.3473420571060191
Energy: 0.30863280846075863
Energy: 0.28949519582622474
Energy: 0.3730070008160618
Energy: 0.34991864133647993
Energy: 0.3457018022817516
Energy: 0.3069697034279225
Energy: 0.320235633706303
Energy: 0.3682566242375712
Energy: 0.34215629045076107
Energy: 0.32810829011382736
Energy: 0.29196395926488894
Energy: 0.28889597561100394
Energy: 0.3108440145875922
Energy: 0.28312394104564775
Energy: 0.3208967502481462
Energy: 0.295946325814462
Energy: 0.29662050167563897
Energy: 0.30989657307860763
Energy: 0.29223069473321667
Energy: 0.3072199436752992
Energy: 0.2900822201927802
Energy: 0.3098122311302287
Energy: 0.2911783977879303
Energy: 0.28761307412382353
Energy: 0.310648764124056
Energy: 0.33348263780467163
Energy: 0.286082348167969
Energy: 0.32958624628104627
Energy: 0.2891145252622828
Energy: 0.368431896339783
Energy: 0.29048112329347514
Energy: 0.2909923291352509
Energy: 0.3471668600870158
Energy: 0.3347692591757441
Energy: 0.3736446175059451
Energy: 0.27720305327911376
Energy: 0.29627081404581457
Energy: 0.3458176864680664
Energy: 0.3389296554739043
Energy: 0.38943442993417265
Energy: 0.39710241536013247
Energy: 0.34247303835850235
Energy: 0.33168658416191593
Energy: 0.3548028647532099
Energy: 0.3269724652575303
Energy: 0.35214416907594887
Energy: 0.3265836461125475
Energy: 0.3942963224922162
Energy: 0.3545500935773098
Energy: 0.27413510037187494
Energy: 0.30025303935203135
Energy: 0.3431069840043078
Energy: 0.3800507220468304
Energy: 0.3490999752111088
Energy: 0.2937534812399366
Energy: 0.27922286984076833
Energy: 0.3444254870285255
Energy: 0.38528716668172214
Energy: 0.3522056927132204
Energy: 0.3800703646366375
Energy: 0.347881515665493
Energy: 0.3401502641035607
Energy: 0.3404122612129643
Energy: 0.3381168356951722
Energy: 0.4055583499998997
Energy: 0.3522141569654155
Energy: 0.3386604217778131
Energy: 0.33931660028813704
Energy: 0.36287472516675406

minimum gb energy = 0.2703836549063468 eV
minimum distance =  2.57138026385483 Angstroms
sigma value = 75


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

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Energy: 0.3130009092680899
Energy: 0.3106070851761124
Energy: 0.3254828150402706
Energy: 0.304678364563046
Energy: 0.34423170614325643
Energy: 0.3144670103789266
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Energy: 0.3281616858166814
Energy: 0.29629440957787967
Energy: 0.3136184474297613
Energy: 0.3222323326893144
Energy: 0.29537383627901614
Energy: 0.3095459584486211
Energy: 0.3631391506401175
Energy: 0.31025703281899314
Energy: 0.3278393849454705
Energy: 0.3042736759328699
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Energy: 0.3676269462836411
Energy: 0.3296690286188915
Energy: 0.335715604198144
Energy: 0.3150616458919438
Energy: 0.30619652266028186
Energy: 0.3677954087834805
Energy: 0.3304059734475697
Energy: 0.3078889739289688
Energy: 0.31019995456221544
Energy: 0.29626980372039396
Energy: 0.3032162002699077
Energy: 0.2978383650323118
Energy: 0.3087111595721507
Energy: 0.33321935772523076
Energy: 0.2954990557181167
Energy: 0.318763267720357
Energy: 0.3021812470370896
Energy: 0.33170599543789575
Energy: 0.31592572268703295
Energy: 0.32153112324060473
Energy: 0.29091104255836486
Energy: 0.3465821219625647
Energy: 0.3779554995876231
Energy: 0.3207968432291808
Energy: 0.3394502847989532
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Energy: 0.3223595923894795
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Energy: 0.3236273041015825
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Energy: 0.3058090150731111
Energy: 0.33464199717983645
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Energy: 0.2956595917762284
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Energy: 0.3781219813933091
Energy: 0.3174443333045591
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Energy: 0.3959115004748705
Energy: 0.36058218524931984
Energy: 0.3101441706165903
Energy: 0.3080515521762609
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Energy: 0.3807997210204091
Energy: 0.3607991625257045
Energy: 0.28949499107100374
Energy: 0.30004703745099465
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Energy: 0.29887635868397167
Energy: 0.3718260847911842
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minimum gb energy = 0.2815516271088253 eV
minimum distance =  2.51097035829737 Angstroms
sigma value = 105


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

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Energy: 0.32011201096805975
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Energy: 0.3102002129720035
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Energy: 0.3207357083815774
Energy: 0.35628093934335153
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Energy: 0.3288576472814079
Energy: 0.3032437345848438
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Energy: 0.32730912984241495
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Energy: 0.3486500926925209
Energy: 0.32923077453477323
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Energy: 0.3588185546314238
Energy: 0.3327341183387888
Energy: 0.316137984022318
Energy: 0.35508453637121895
Energy: 0.34868890064121344
Energy: 0.3586325574820758
Energy: 0.33232954781396845
Energy: 0.36426132503924796
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Energy: 0.3154584961814825
Energy: 0.3161002287367565
Energy: 0.3439058526319875
Energy: 0.329548195862122
Energy: 0.31843394936538716
Energy: 0.3081078898579736
Energy: 0.3251793273969068
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Energy: 0.3323494513342764
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Energy: 0.3227491619385194
Energy: 0.3501858056859586
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Energy: 0.31912504323875224
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Energy: 0.32911299300691615
Energy: 0.3492270784201442
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Energy: 0.33111136141626774
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Energy: 0.35078635171215516
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Energy: 0.35242698249316873
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Energy: 0.306561345089255
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Energy: 0.3169575044825029
Energy: 0.3103259062671535
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Energy: 0.33750290490658047
Energy: 0.3155961929690576
Energy: 0.310126069375917
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Energy: 0.31015718558497585
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Energy: 0.3166411274035299
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Energy: 0.32568792842771016
Energy: 0.30445665054342
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Energy: 0.30410795549805786
Energy: 0.35472755797711425
Energy: 0.3118846764187467
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Energy: 0.3355532945784031
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Energy: 0.35183720606185515
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Energy: 0.3452977465952118
Energy: 0.33439702226574225
Energy: 0.335927680222373
Energy: 0.3517231928998416
Energy: 0.3414292238558583
Energy: 0.31040042310782173
Energy: 0.3035079724512658
Energy: 0.3613704479825386
Energy: 0.32865336200813067
Energy: 0.3514053344674701
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Energy: 0.3031812331621458
Energy: 0.3612671001014667
Energy: 0.3123078480826679
Energy: 0.32302469084677776
Energy: 0.3062987365191772
Energy: 0.30485560940600115
Energy: 0.3097275874236754
Energy: 0.33285766631738256
Energy: 0.3224752220881215
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Energy: 0.30337597950549255
Energy: 0.30767206390487734
Energy: 0.3307903044749677
Energy: 0.36194472244953546
Energy: 0.2950149335305875
Energy: 0.3112970612955391
Energy: 0.3111205371144691
Energy: 0.3087030607500822
Energy: 0.3577705596091791
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Energy: 0.31212907533892764
Energy: 0.3149940616657468
Energy: 0.32685238242586734
Energy: 0.35848527236825917
Energy: 0.3346284294400379
Energy: 0.339145858322865
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Energy: 0.32957287013684566
Energy: 0.3612262190744864
Energy: 0.3291039896676614
Energy: 0.3279308238198758
Energy: 0.33117862763169575
Energy: 0.34392564778722773
Energy: 0.3345096244223937
Energy: 0.3656114121466102
Energy: 0.3508445371185728
Energy: 0.33836898255470005
Energy: 0.33783344207353366
Energy: 0.33010101551863463
Energy: 0.3598786815696193
Energy: 0.3520720100713344
Energy: 0.32935021005138493
Energy: 0.33835297745535786
Energy: 0.3312194787284827
Energy: 0.3514436634078584
Energy: 0.3310931729931911
Energy: 0.31608396217309587
Energy: 0.34775175696990623
Energy: 0.29823557826344776
Energy: 0.3310269666785349
Energy: 0.3313906509571969
Energy: 0.32471328839392094
Energy: 0.3191768073757771
Energy: 0.33091396507559684
Energy: 0.3310456848335646
Energy: 0.3344020401157994
Energy: 0.31917894708419986
Energy: 0.34734071550327106
Energy: 0.3360443156488028
Energy: 0.3308177164371464
Energy: 0.32802158763177597
Energy: 0.323430045064112
Energy: 0.34453484290993597
Energy: 0.3396416626945035
Energy: 0.34757899035955303
Energy: 0.32070706446821434
Energy: 0.3294855213328439
Energy: 0.35364926003834213
Energy: 0.3426383718017759
Energy: 0.32822849312497676
Energy: 0.3266140741952302
Energy: 0.32765927584695737
Energy: 0.35284666545851623
Energy: 0.33124280230647396
Energy: 0.34074156641797126
Energy: 0.32864277392591557
Energy: 0.33977516309902367
Energy: 0.34010306348367636
Energy: 0.33051100119875165
Energy: 0.33916686519327927
Energy: 0.3245616593509639
Energy: 0.33824891210598423
Energy: 0.33872861143793404
Energy: 0.3405864674738498
Energy: 0.3279379690748377
Energy: 0.331472467576619
Energy: 0.33333131515950964
Energy: 0.31050054952626466
Energy: 0.3415535675324082
Energy: 0.3249556102047891
Energy: 0.3276623705752511
Energy: 0.3322140490443556
Energy: 0.3357604882250001
Energy: 0.35332451366942524
Energy: 0.3124960337896374
Energy: 0.3444266216255307
Energy: 0.35329982045929326
Energy: 0.31501938427714915
Energy: 0.3528890415260743
Energy: 0.31335626927920923
Energy: 0.3352633235499943
Energy: 0.35332173991203053
Energy: 0.3349863026549529
Energy: 0.3521794669306451
Energy: 0.338305318331836
Energy: 0.34912119166318434
Energy: 0.33266792220052194
Energy: 0.3369521594671588
Energy: 0.3495427315291887
Energy: 0.3461920821871723
Energy: 0.3521603781233445
Energy: 0.32991122128331096
Energy: 0.3364979400032544
Energy: 0.32934763511543863
Energy: 0.35399758544262694
Energy: 0.30355926137216693
Energy: 0.2998655337432827
Energy: 0.3523835712045163
Energy: 0.32281605903321825
Energy: 0.3549701477530807
Energy: 0.3068859601030404
Energy: 0.302745915849923
Energy: 0.358564002729111
Energy: 0.3484297109936577
Energy: 0.3118606848294923
Energy: 0.31121584597254826
Energy: 0.30991321475080824
Energy: 0.3183780376262687
Energy: 0.3133085068460508
Energy: 0.3076745799651485
Energy: 0.3080541190853058
Energy: 0.30686031109233197
Energy: 0.34007021834771883

minimum gb energy = 0.2950149335305875 eV
minimum distance =  2.53799536700004 Angstroms
sigma value = 165


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

Energy: 0.3933545902282704
Energy: 0.2873467069470505
Energy: 0.2854112408491338
Energy: 0.31822298623985923
Energy: 0.31648218551312557
Energy: 0.3927139119855774
Energy: 0.2905663950857574
Energy: 0.28541726026160524
Energy: 0.32064676269093334
Energy: 0.3511834597188859
Energy: 0.31026230460685633
Energy: 0.321755400023726
Energy: 0.30964639750429823
Energy: 0.3144707435605224
Energy: 0.31553306039703033
Energy: 0.31163691902905
Energy: 0.3212194406372357
Energy: 0.308855392706646
Energy: 0.3153666876402734
Energy: 0.31616920711131274
Energy: 0.31659958022753887
Energy: 0.35902445330083366
Energy: 0.3224848303082283
Energy: 0.316359243406451
Energy: 0.3349993609849321
Energy: 0.319533769434052
Energy: 0.31505357070974355
Energy: 0.3135430277597048
Energy: 0.31336679772495707
Energy: 0.31439918962612895
Energy: 0.3551198560991245
Energy: 0.3156459824217791
Energy: 0.31711254228582547
Energy: 0.3199501689972214
Energy: 0.3984036280718457
Energy: 0.34427501990038833
Energy: 0.31748807032465015
Energy: 0.3133339829519236
Energy: 0.3020257761019297
Energy: 0.3999525763992402
Energy: 0.32789631072616915
Energy: 0.32098115563724017
Energy: 0.3132249570747435
Energy: 0.31315688063461783
Energy: 0.31363488246132293
Energy: 0.31942668246560113
Energy: 0.2833376244455627
Energy: 0.31317797629233246
Energy: 0.31085916618074955
Energy: 0.2863246822352843
Energy: 0.3141131750985695
Energy: 0.3205274832782863
Energy: 0.32297471753870804
Energy: 0.2841894622452872
Energy: 0.30831040179118846
Energy: 0.3143998214981467
Energy: 0.3203310275462969
Energy: 0.32293191315970643
Energy: 0.2832679254229495
Energy: 0.30878742156223227
Energy: 0.3138747837072783
Energy: 0.32253470122860156
Energy: 0.31509760074652027
Energy: 0.2855336134372002
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Energy: 0.3129601046335453
Energy: 0.3197253576557716
Energy: 0.31530756041090613
Energy: 0.2920240594781357
Energy: 0.3211745248068083
Energy: 0.2790212688297635
Energy: 0.3131266851427311
Energy: 0.31460284089075286
Energy: 0.3242765242458029
Energy: 0.3328040921565182
Energy: 0.2793002566963377
Energy: 0.31273076693058044
Energy: 0.31446959177288264
Energy: 0.32437879642107864
Energy: 0.2817702651120752
Energy: 0.2789635272975475
Energy: 0.33094639832869965
Energy: 0.2897665960812538
Energy: 0.314668929604281
Energy: 0.3540953553483738
Energy: 0.28635982365150453
Energy: 0.2887356670884445
Energy: 0.2877220669003858
Energy: 0.3152485844331777
Energy: 0.33693390410368373
Energy: 0.352885003905696
Energy: 0.3134164110454293
Energy: 0.3146775218794357
Energy: 0.3162124151235902
Energy: 0.3108520529776397
Energy: 0.34989375140779977
Energy: 0.31907637909801045
Energy: 0.3156131301552852
Energy: 0.31623180590120437
Energy: 0.31016433498900237
Energy: 0.2811642727223125
Energy: 0.3154416740004996
Energy: 0.3128168734818225
Energy: 0.35868436696235323
Energy: 0.39542832341280365
Energy: 0.31429013716267085
Energy: 0.31521217382647887
Energy: 0.31375312558506085
Energy: 0.35918956845265226
Energy: 0.39581574016626353
Energy: 0.31269081214376
Energy: 0.34811235177020233
Energy: 0.316562033228411
Energy: 0.31729362150078116
Energy: 0.2812565496707413
Energy: 0.31411250252336903
Energy: 0.3109472694997293
Energy: 0.31733901231323847
Energy: 0.3135600385988
Energy: 0.31335930409451995
Energy: 0.35796153474830134
Energy: 0.31409190064108256
Energy: 0.2883201234545953
Energy: 0.31068827794295784
Energy: 0.2858871342695616
Energy: 0.35975975732226934
Energy: 0.31368790112244305
Energy: 0.31379994103563774
Energy: 0.309988939642117
Energy: 0.28625255669089666
Energy: 0.35204391096112597
Energy: 0.3133504857777999
Energy: 0.29759020378800083
Energy: 0.2822756327403827
Energy: 0.32450457906772084
Energy: 0.3497125116458867
Energy: 0.3140859187130576
Energy: 0.29756432648799896
Energy: 0.2807769373221288
Energy: 0.313824199318191
Energy: 0.2851195251918148
Energy: 0.3248831228692766
Energy: 0.3203277533486561
Energy: 0.28691184856689245
Energy: 0.3253786933777405
Energy: 0.3151838273406394
Energy: 0.3225718967952441
Energy: 0.3181909471527737
Energy: 0.2874914392275123
Energy: 0.32193160772841056

minimum gb energy = 0.2789635272975475 eV
minimum distance =  2.57659303502242 Angstroms
sigma value = 41


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

Energy: 0.3089118810919876
Energy: 0.28136710592325054
Energy: 0.25870577582790266
Energy: 0.2607799031565858
Energy: 0.25513152323462535
Energy: 0.2653638928262764
Energy: 0.2828101990628008
Energy: 0.2674463737623621
Energy: 0.26830887185040225
Energy: 0.2932118006322544
Energy: 0.29856470774882676
Energy: 0.2892918447378218
Energy: 0.26103901276344
Energy: 0.26713902910736637
Energy: 0.2847195122986443
Energy: 0.2974639237165483
Energy: 0.2665231511707364
Energy: 0.27038359532822426
Energy: 0.2712940255036122
Energy: 0.28777957360934886
Energy: 0.2787526367484618
Energy: 0.30234138619624057
Energy: 0.28740648786520445
Energy: 0.28720514046521545
Energy: 0.27841430838155046
Energy: 0.2849936459091954
Energy: 0.297589726398975
Energy: 0.28120155152243653
Energy: 0.29619118745762646
Energy: 0.2668371876024609
Energy: 0.32152337085092575
Energy: 0.2731113739735949
Energy: 0.2965236021030034
Energy: 0.28998827977676056
Energy: 0.30653840344207234
Energy: 0.32225325706602576
Energy: 0.2705688749926805
Energy: 0.2882003045744224
Energy: 0.28814865547910196
Energy: 0.30004849258272515
Energy: 0.3148792991222078
Energy: 0.27724764626289655
Energy: 0.29175171494523794
Energy: 0.2991342680486286
Energy: 0.3146410085078049
Energy: 0.26323139795235656
Energy: 0.30425099949857143
Energy: 0.28064504495277
Energy: 0.3024779436668809
Energy: 0.3023851538871861
Energy: 0.3040526693724936
Energy: 0.31862702313821023
Energy: 0.32128651651426066
Energy: 0.2637733432234596
Energy: 0.28028741506420946
Energy: 0.30574273442004213
Energy: 0.2726491885078809
Energy: 0.3235857711697126
Energy: 0.2628697323087147
Energy: 0.2977056312848838
Energy: 0.3026019366349108
Energy: 0.3060472545965743
Energy: 0.28955780067114045
Energy: 0.2733898638329753
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Energy: 0.29431530981830634
Energy: 0.2925628605974323
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Energy: 0.3027653047399132
Energy: 0.3047265559946771
Energy: 0.2890941887457143
Energy: 0.28904019449892404
Energy: 0.269229646253465
Energy: 0.29940401296701435
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Energy: 0.29193389635326933
Energy: 0.2890539675451339
Energy: 0.2687904719430328
Energy: 0.298410876589437
Energy: 0.30855106664300513
Energy: 0.28740301776578275
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Energy: 0.2909458390905453
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Energy: 0.29760415391828443
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Energy: 0.2885411436236122
Energy: 0.31806797904317824
Energy: 0.26900893837696715
Energy: 0.2660603813789324
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Energy: 0.30979670019954775
Energy: 0.31688907543162426
Energy: 0.27405597314856356
Energy: 0.2574427888838186
Energy: 0.28975128402225087
Energy: 0.2743986203782048
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Energy: 0.26052191345541725
Energy: 0.27895794982635486
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Energy: 0.2879127918815351
Energy: 0.2603665729726867
Energy: 0.2788925214765779
Energy: 0.2763167610594309
Energy: 0.30397087446215026
Energy: 0.2908051723000085
Energy: 0.26189667652613624
Energy: 0.2635070525564707
Energy: 0.2692280047702541
Energy: 0.2998175039458991
Energy: 0.29045731029145966
Energy: 0.26164494163312313
Energy: 0.26720550553047623
Energy: 0.3040138276838536
Energy: 0.3076357239093616
Energy: 0.27324223827484884
Energy: 0.2935885182727913
Energy: 0.2678773451221451
Energy: 0.2862031194601706
Energy: 0.28642805360803364
Energy: 0.27898066017312745
Energy: 0.2723168309462141
Energy: 0.26515776917934347
Energy: 0.28625732127368925
Energy: 0.29153359718131083
Energy: 0.28215097831627384
Energy: 0.2744700020080563
Energy: 0.28205383851227944
Energy: 0.287672150217168
Energy: 0.32188370930520627
Energy: 0.28032114333264857
Energy: 0.2708124328038235
Energy: 0.2629867836640661
Energy: 0.34277487052694083
Energy: 0.32219579689802996
Energy: 0.2819878995832734
Energy: 0.2757684161346323
Energy: 0.27957036900714843
Energy: 0.3043276912435216
Energy: 0.27768586207239376
Energy: 0.2889293807950493
Energy: 0.2760377045083356
Energy: 0.2760509474263958
Energy: 0.3018964572290912
Energy: 0.27786849314910894
Energy: 0.30988940167413315
Energy: 0.30940671195430847
Energy: 0.2854270810078473
Energy: 0.29065166450795266
Energy: 0.2938094409703602
Energy: 0.3105896226736067
Energy: 0.3097740503208976
Energy: 0.2833929359078412
Energy: 0.2903945941747172
Energy: 0.29311764695274783
Energy: 0.295075375663182
Energy: 0.28716256345384067
Energy: 0.27795436493593734
Energy: 0.28367698649793444
Energy: 0.30414157953005067
Energy: 0.29459623812309543
Energy: 0.2868219725825209
Energy: 0.27711742090158403
Energy: 0.28636231106315785
Energy: 0.27811138686948617
Energy: 0.2876963833810828
Energy: 0.29984488545177157
Energy: 0.3048612919647996
Energy: 0.3011811217025678
Energy: 0.27527701174391866
Energy: 0.28736701061325104
Energy: 0.30082910762115067
Energy: 0.3119702425966864
Energy: 0.3096480724858217
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Energy: 0.30120861198458254
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Energy: 0.27900907330454594
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Energy: 0.28881808416282545
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Energy: 0.26190579603697894
Energy: 0.2997711614406977
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Energy: 0.2822639774765789
Energy: 0.3025385161908067
Energy: 0.30543930237601824
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Energy: 0.2846942285291136
Energy: 0.25613022636795074
Energy: 0.2993290791678037
Energy: 0.30258984075247414
Energy: 0.29262878483991916
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Energy: 0.26857489818753505
Energy: 0.3216855799342379
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Energy: 0.3032305498875596
Energy: 0.30090688301033985
Energy: 0.27899922084514
Energy: 0.2960563628039754
Energy: 0.28678418531602806
Energy: 0.30310966806781287
Energy: 0.27321227267850756
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Energy: 0.28258976411664766
Energy: 0.28886829407609876
Energy: 0.2982171146372234
Energy: 0.27331394110989726
Energy: 0.3237028570182861
Energy: 0.29140260913016847
Energy: 0.3157152498869098
Energy: 0.25980291181507437
Energy: 0.2698837979717769
Energy: 0.26645079031880625
Energy: 0.2798456301312524
Energy: 0.35708847867498444
Energy: 0.2720037869631863
Energy: 0.270128667003883
Energy: 0.27640076455685086
Energy: 0.2665576067081808
Energy: 0.29145550209507304
Energy: 0.26745756230677964
Energy: 0.2643484864490834
Energy: 0.27184158576729683
Energy: 0.26705507038490145
Energy: 0.29535126985016785
Energy: 0.26576493374945137
Energy: 0.2729904479559795
Energy: 0.26980846470550196
Energy: 0.317881450296333
Energy: 0.29634179282534623
Energy: 0.2740825870119528
Energy: 0.2657299333416827
Energy: 0.2610154961930732
Energy: 0.3137688182301153
Energy: 0.3030371158262227
Energy: 0.2695562097875611
Energy: 0.27246348856003844
Energy: 0.27054727945559
Energy: 0.26556755633422935
Energy: 0.27185871736665157
Energy: 0.273026095541478
Energy: 0.27397622508146197
Energy: 0.26036778004435124
Energy: 0.31087948517564357
Energy: 0.2653800486438081
Energy: 0.28203399847107563
Energy: 0.2685020463487679
Energy: 0.2922862263037342

minimum gb energy = 0.25513152323462535 eV
minimum distance =  2.61679014175892 Angstroms
sigma value = 185


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

Energy: 0.14472486250466318
Energy: 0.15746472566419772
Energy: 0.15773137949610197
Energy: 0.15234727300113848
Energy: 0.09042818752006575
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Energy: 0.1314080473217395
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Energy: 0.15994252455231886
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Energy: 0.09108294132969975
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Energy: 0.1681992289143719
Energy: 0.14386173652290404
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Energy: 0.1689121294502292
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Energy: 0.18589433534759547
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Energy: 0.11002704724837938
Energy: 0.18365653201922894
Energy: 0.1648998008893785
Energy: 0.17139232023138415
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Energy: 0.1711516953957968
Energy: 0.08975570909928651
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Energy: 0.08976715977936577
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Energy: 0.18333088801000924
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Energy: 0.10410320697069295
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Energy: 0.1821668007610006
Energy: 0.19113297759395237
Energy: 0.18680707090621315
Energy: 0.09593716894631017
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Energy: 0.18442793979332983
Energy: 0.17343258721379384
Energy: 0.1865183667877868
Energy: 0.09592041007271802
Energy: 0.19418087601351763
Energy: 0.16930114665490228
Energy: 0.17415623771211153
Energy: 0.09130152466966977
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Energy: 0.18700073073844523
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Energy: 0.17136743104753746
Energy: 0.09048402233154804
Energy: 0.08970029789412798
Energy: 0.18439577108500993
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Energy: 0.1709284656582849
Energy: 0.09022253845432375
Energy: 0.0896973528447973
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Energy: 0.20991588475284814
Energy: 0.09028345531516592
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Energy: 0.18536701709226802
Energy: 0.20638475095676667
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Energy: 0.09020654789515078
Energy: 0.18579364213505775
Energy: 0.18299444332400036
Energy: 0.18755519640489146
Energy: 0.10229769198090811
Energy: 0.09025289162759573
Energy: 0.1863449751274032
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Energy: 0.19212251940453054
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Energy: 0.10863829042021975
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Energy: 0.1981954629489493
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Energy: 0.1749567027045688
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Energy: 0.17631357547689316
Energy: 0.19622793648701564
Energy: 0.1792667042593801
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Energy: 0.1919465895507331
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Energy: 0.18490273502047488
Energy: 0.1830137658594894
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Energy: 0.10613738057365782
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Energy: 0.15222220081385232
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Energy: 0.17481239649795466
Energy: 0.17438526372101262
Energy: 0.14969159162745177
Energy: 0.1510882790620107
Energy: 0.1455566143044906
Energy: 0.17480744554122699
Energy: 0.17641213039611872
Energy: 0.1634045636532618
Energy: 0.12187425315281525
Energy: 0.17244801469740287
Energy: 0.20961397569616333
Energy: 0.14547065914216112
Energy: 0.1324538486476421
Energy: 0.12341271425629924
Energy: 0.1576179448519442
Energy: 0.15785247720365803
Energy: 0.1596562595071581
Energy: 0.09039344877248913
Energy: 0.0898281566950121
Energy: 0.1664868468109112
Energy: 0.1615352275699695
Energy: 0.14599697713010196
Energy: 0.1718824078255607
Energy: 0.16435542951564214
Energy: 0.14454427324936195
Energy: 0.17411796100536597
Energy: 0.1636765475762824
Energy: 0.16273817604540441
Energy: 0.15356507642606634
Energy: 0.15243148281819202
Energy: 0.15955527506733735
Energy: 0.1643108677430402
Energy: 0.13034954083622377
Energy: 0.14483551392975594
Energy: 0.1680295661367095
Energy: 0.1614583199907045
Energy: 0.1641552596277669
Energy: 0.09001533277637458
Energy: 0.15861768378743116
Energy: 0.15214023317925127
Energy: 0.18510059476028937
Energy: 0.13173448084156825

minimum gb energy = 0.08964881742339913 eV
minimum distance =  2.67277529652906 Angstroms
sigma value = 33


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

Energy: 0.2586037412558404
Energy: 0.24621344500892345
Energy: 0.23266440853075965
Energy: 0.2330260724275964
Energy: 0.25400566426070836
Energy: 0.2634260215487354
Energy: 0.24649867670667663
Energy: 0.23295212895778658
Energy: 0.2334567020406237
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Energy: 0.254797357941901
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Energy: 0.23305586276714896
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Energy: 0.2562819238891715
Energy: 0.24515251010564654
Energy: 0.23266290498949582
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Energy: 0.24558921021735264
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Energy: 0.23267844775836166
Energy: 0.23240522877537126
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Energy: 0.2561952676430323
Energy: 0.2415531210956407
Energy: 0.23710868634980023
Energy: 0.2438191119589226
Energy: 0.2459282893435799
Energy: 0.28037076455508153
Energy: 0.2500245366359626
Energy: 0.2370251888288503
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Energy: 0.24595621069941576
Energy: 0.2773231028376393
Energy: 0.2455592509728687
Energy: 0.24818770998539452
Energy: 0.2388747884415259
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Energy: 0.252592954141974
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Energy: 0.26287783839399936
Energy: 0.24806648620504423
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Energy: 0.25368229863347835
Energy: 0.2551924999806938
Energy: 0.25586951406418285
Energy: 0.25867289260167764
Energy: 0.2522798692840817
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Energy: 0.25536801595109376
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Energy: 0.2530283616326794
Energy: 0.254010011939448
Energy: 0.24608804089932218
Energy: 0.2576148621123745
Energy: 0.2642687180278251
Energy: 0.2538651213263177
Energy: 0.25379420314795587
Energy: 0.24580606521459744
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Energy: 0.25574645168012455
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Energy: 0.24607431602667956
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Energy: 0.24230771660873296
Energy: 0.24569285756149573
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Energy: 0.306574534209244
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Energy: 0.24197300312917772
Energy: 0.2517330829973783
Energy: 0.26568384507232706

minimum gb energy = 0.22502060631835297 eV
minimum distance =  2.57387392651074 Angstroms
sigma value = 219


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

Energy: 0.4977557325634859
Energy: 0.3297384561503647
Energy: 0.2986012889719434
Energy: 0.29904935278271566
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Energy: 0.329451662913231
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Energy: 0.32573813995675094
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Energy: 0.3280731204468989
Energy: 0.3212090615927907
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Energy: 0.3432967331483803
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Energy: 0.33434872790618925
Energy: 0.34791644559941715
Energy: 0.2798917646759101
Energy: 0.312755214471344
Energy: 0.3539062350365273
Energy: 0.28924582433524093
Energy: 0.34814626723077924
Energy: 0.34314473883308433
Energy: 0.31250392844683755
Energy: 0.31733526861483774
Energy: 0.33020679707068534
Energy: 0.3321015920185324
Energy: 0.34336479945346204
Energy: 0.3358913685477396
Energy: 0.31640919165866505
Energy: 0.32940191864937174
Energy: 0.3326149001764893
Energy: 0.3383440071160048
Energy: 0.34438058214482986
Energy: 0.32418332689455576
Energy: 0.3241449356730622
Energy: 0.3296357567504457
Energy: 0.3389394605037974
Energy: 0.34888401001278047
Energy: 0.324430390155433
Energy: 0.2978899075052259
Energy: 0.32975765257468614

minimum gb energy = 0.27896001862954095 eV
minimum distance =  2.62581437660739 Angstroms
sigma value = 15


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

Energy: 0.36818420002374935
Energy: 0.3647020016474007
Energy: 0.35948967246017327
Energy: 0.3587781949077699
Energy: 0.35407453239825637
Energy: 0.3650735227548601
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minimum gb energy = 0.3374903612174397 eV
minimum distance =  2.58167675299841 Angstroms
sigma value = 293


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

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Energy: 0.3497950158288067
Energy: 0.36540616513505153
Energy: 0.4255624230108326
Energy: 0.3657049063172805
Energy: 0.35112456757358
Energy: 0.3500736247625406
Energy: 0.3653084941625989
Energy: 0.3354868242678532
Energy: 0.34108534935203416
Energy: 0.3405774514148829
Energy: 0.3522159951990313
Energy: 0.37998951494792904
Energy: 0.35223187684157603
Energy: 0.3405651005320783
Energy: 0.3418944690279796
Energy: 0.34903277581264996
Energy: 0.38275696712445473
Energy: 0.3522049327563578
Energy: 0.34581137662668393
Energy: 0.34150338031488287
Energy: 0.3578899212383624
Energy: 0.33846525511423575
Energy: 0.3492778940522112
Energy: 0.35085242508240116
Energy: 0.34145566728604315
Energy: 0.35863411349974916
Energy: 0.33994847552443896
Energy: 0.36151533861986707
Energy: 0.376318824953546
Energy: 0.3462923216784604
Energy: 0.3798999697225024
Energy: 0.3536826491032489
Energy: 0.3696945946437712
Energy: 0.34404985493808893
Energy: 0.34795302675611983
Energy: 0.3807033217375778
Energy: 0.3562844644337655
Energy: 0.3706238098149289
Energy: 0.35536015873273497
Energy: 0.35812262111019283
Energy: 0.3626185356429673
Energy: 0.345331941819106
Energy: 0.36222584544705616
Energy: 0.37440374445674146
Energy: 0.3573660109201233
Energy: 0.36238971649975366
Energy: 0.35096291853709305
Energy: 0.3524241637503334
Energy: 0.3642013301075543
Energy: 0.3757361918279453
Energy: 0.3419320450382553
Energy: 0.38376205789569257
Energy: 0.3711675331135092
Energy: 0.36929579269871954
Energy: 0.3766060672343248
Energy: 0.34202884096824976
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Energy: 0.37053023415279274
Energy: 0.42182946610792876
Energy: 0.36526368593759434
Energy: 0.34185820264841466
Energy: 0.3460230087446196
Energy: 0.34200433706388145
Energy: 0.3326105424418526
Energy: 0.3581323681927709
Energy: 0.3416974157390468
Energy: 0.3463023805067991
Energy: 0.35259031397014545
Energy: 0.3555878691301038
Energy: 0.3475114148019212
Energy: 0.34685578141070206
Energy: 0.3403006108033553
Energy: 0.3515198197217536
Energy: 0.3561878756279181
Energy: 0.3473535191759433
Energy: 0.3433774043099433
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Energy: 0.3507639292304458
Energy: 0.36509116755901655
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Energy: 0.34532827957947815
Energy: 0.34815571672497836
Energy: 0.3508213177290431
Energy: 0.35826421071660147
Energy: 0.36702669008346395
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Energy: 0.33439156158023997
Energy: 0.3341954259188611
Energy: 0.3653983705858308
Energy: 0.3661750650580762
Energy: 0.38235063563555155
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Energy: 0.33406792012737035
Energy: 0.35898256599642486
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Energy: 0.3599810489505388
Energy: 0.34662038965047814
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Energy: 0.3570084091587589
Energy: 0.33426186973264316
Energy: 0.33489523394824267
Energy: 0.34677576924217146
Energy: 0.35162994993381136
Energy: 0.3474642107219688
Energy: 0.3573368507357873
Energy: 0.35130105797551253
Energy: 0.3408881004920172
Energy: 0.35017153356294034
Energy: 0.3477648407746731
Energy: 0.35136556119287865
Energy: 0.35114429981718076
Energy: 0.33993867833635016
Energy: 0.3520589398657656
Energy: 0.3619679034873488
Energy: 0.3453362672521039
Energy: 0.35797106834450865
Energy: 0.3455806251399121
Energy: 0.35663432977143755
Energy: 0.36686691426356716
Energy: 0.34523605033690846
Energy: 0.35737679240783987
Energy: 0.3458979316377705
Energy: 0.35727117025957805
Energy: 0.351938802090758
Energy: 0.38293470810570407
Energy: 0.37636879268765544
Energy: 0.34680066151902383
Energy: 0.3437570572726338
Energy: 0.3513174101627877
Energy: 0.37944663643471116
Energy: 0.37646035930320326
Energy: 0.34520977346492343
Energy: 0.342058473253235
Energy: 0.3617406249771255
Energy: 0.36478349489619327
Energy: 0.36482147108068164
Energy: 0.35588636633067944
Energy: 0.362683222577267
Energy: 0.35566731172635235
Energy: 0.37950891931432346
Energy: 0.36377397719181626
Energy: 0.35515696028653077
Energy: 0.38185258036417336
Energy: 0.35218965408026875
Energy: 0.3769004858121462
Energy: 0.36864342321765003
Energy: 0.36285999400720287
Energy: 0.3564991498583623
Energy: 0.34077652895230987
Energy: 0.3775253768155343
Energy: 0.3525437634062263
Energy: 0.36386859367278235
Energy: 0.3532863817655879
Energy: 0.34098971702522485
Energy: 0.35704310902615316
Energy: 0.3328044542777473
Energy: 0.3384331394412742
Energy: 0.3469875197184111
Energy: 0.34132083607441166
Energy: 0.3537886589603124
Energy: 0.3327831651304059
Energy: 0.3333774289178808
Energy: 0.34239682767441354
Energy: 0.3412229776222171
Energy: 0.3416048721374556
Energy: 0.35179503468798806
Energy: 0.34855434051770523
Energy: 0.3512860907780919
Energy: 0.34132243850016275
Energy: 0.34187118806685945
Energy: 0.3580848711491558
Energy: 0.34860095298611626
Energy: 0.35166015391319927
Energy: 0.3516363169910556
Energy: 0.3390427379742588
Energy: 0.339597157557321
Energy: 0.36595846198456783
Energy: 0.35129331898109034
Energy: 0.3514515000893669
Energy: 0.3391532783385508
Energy: 0.3433729821527017
Energy: 0.35761243793079894
Energy: 0.3511263544910187
Energy: 0.34478874342826893
Energy: 0.3505376986307498
Energy: 0.35788395051138006
Energy: 0.37992782698815936
Energy: 0.3352610007320722
Energy: 0.35200942721903805
Energy: 0.34595143352688845
Energy: 0.3575234969787148
Energy: 0.3800148651762879
Energy: 0.4254272157582705
Energy: 0.34636695468370715
Energy: 0.34816658831136116
Energy: 0.3514342711365211
Energy: 0.3590860178789975
Energy: 0.33615617161618233
Energy: 0.3596184717956081
Energy: 0.3484471609799473
Energy: 0.34822463002395165
Energy: 0.3602570534295954
Energy: 0.3361089744876958
Energy: 0.341461981836585
Energy: 0.3400365957406262
Energy: 0.3511976979532199
Energy: 0.38276401201553545
Energy: 0.35124938220772806
Energy: 0.34079383097084587
Energy: 0.34123972254750956
Energy: 0.3512284777640262
Energy: 0.3834130440850142
Energy: 0.35236385130870324
Energy: 0.35690120923158786
Energy: 0.35615360935689794
Energy: 0.3579670464843105
Energy: 0.3451496302404316
Energy: 0.3666128506678815
Energy: 0.3569732990807372
Energy: 0.3560554766585178
Energy: 0.3585575332066794
Energy: 0.34517724184700427
Energy: 0.3621190947468091
Energy: 0.35572873871995836
Energy: 0.34525811562744557
Energy: 0.37829530858256555
Energy: 0.35807271986085193
Energy: 0.36277079713370314
Energy: 0.344252890350607
Energy: 0.3468846535290048
Energy: 0.378856311048486
Energy: 0.358407319890303
Energy: 0.36996930815229995
Energy: 0.35632235783694505
Energy: 0.3574250672670995
Energy: 0.3417296759773226
Energy: 0.3538259295083248
Energy: 0.3643239065009356
Energy: 0.3457040130679009
Energy: 0.357367808353248
Energy: 0.3682176307378556
Energy: 0.3511073336828084
Energy: 0.36383728028562573
Energy: 0.3335971507955927
Energy: 0.37286379513961504
Energy: 0.3456734555272087
Energy: 0.3402474858505547
Energy: 0.37596006983099634
Energy: 0.35890158317960186
Energy: 0.3728707482070854
Energy: 0.3413523458360902
Energy: 0.340804803151103
Energy: 0.3641215590540615

minimum gb energy = 0.3326105424418526 eV
minimum distance =  2.56214377528094 Angstroms
sigma value = 293


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

Energy: 0.3355121759790888
Energy: 0.35412899277600424
Energy: 0.3856904157134055
Energy: 0.34271958595526253
Energy: 0.35515588556194344
Energy: 0.33592648801384023
Energy: 0.35441305032462883
Energy: 0.38669056655334566
Energy: 0.343972142773405
Energy: 0.3553880347836137
Energy: 0.3820943904351385
Energy: 0.35342928328077244
Energy: 0.3439027414113174
Energy: 0.3721294580041492
Energy: 0.37069331867140853
Energy: 0.3628850941260563
Energy: 0.35344653597935594
Energy: 0.35581354407436444
Energy: 0.35515706657098184
Energy: 0.3717606116438762
Energy: 0.35593061923792224
Energy: 0.35443871971060154
Energy: 0.3533478406698744
Energy: 0.3876843293274373
Energy: 0.3641902806698551
Energy: 0.37249948787571835
Energy: 0.3438550956650609
Energy: 0.3435899332498515
Energy: 0.38688460288239823
Energy: 0.34340519703851446
Energy: 0.345550514135657
Energy: 0.3372011202158264
Energy: 0.33583288110542164
Energy: 0.37183443356878987
Energy: 0.34369271035099125
Energy: 0.3443113799744099
Energy: 0.3360949005011557
Energy: 0.3384901826446274
Energy: 0.3725485996917825
Energy: 0.3485528322374061
Energy: 0.3540981927923986
Energy: 0.36468192690963647
Energy: 0.3359087999047006
Energy: 0.38666255175672637
Energy: 0.35311858962673465
Energy: 0.3545759144422803
Energy: 0.3545004460229747
Energy: 0.3360759209698664
Energy: 0.3462497455363544
Energy: 0.3535386258359678
Energy: 0.34439552906507437
Energy: 0.35453780292736936
Energy: 0.34343888903960446
Energy: 0.3543646372266515
Energy: 0.36391447980968866
Energy: 0.3435928779379326
Energy: 0.3446554200422046
Energy: 0.3439305599975276
Energy: 0.35305935874847694
Energy: 0.36248223687251235
Energy: 0.34359808494985206
Energy: 0.35030947552955755
Energy: 0.37175365899773943
Energy: 0.34314079606299713
Energy: 0.3698685842107353
Energy: 0.34363790119781745
Energy: 0.3392059903064923
Energy: 0.3708519656240834
Energy: 0.34395514092426366
Energy: 0.3699000532475392
Energy: 0.37165381927637337
Energy: 0.3630859656547326
Energy: 0.35341664805358014
Energy: 0.33609714546862474
Energy: 0.362511623870292
Energy: 0.371529254021842
Energy: 0.3614636172824837
Energy: 0.35426236334339567
Energy: 0.3402127766480456
Energy: 0.3621179257584516
Energy: 0.3432990711627932
Energy: 0.3625470389502213
Energy: 0.3718858461212039
Energy: 0.33595468734647993
Energy: 0.35355604806844654
Energy: 0.34317377790811504
Energy: 0.37199136515862363
Energy: 0.3715233249418
Energy: 0.33609438600379515
Energy: 0.35395348217753886
Energy: 0.35358316513775556
Energy: 0.3450026150972748
Energy: 0.3624906490841095
Energy: 0.3537041838846549
Energy: 0.41964707263840545
Energy: 0.3532617547977946
Energy: 0.35331202159696695
Energy: 0.3625372801876497
Energy: 0.34412551081916615
Energy: 0.35429663060110667
Energy: 0.33729942519995043
Energy: 0.3715194402909069
Energy: 0.3536746326188943
Energy: 0.3535948088009699
Energy: 0.344571917408608
Energy: 0.33808187254509586
Energy: 0.3711505445655266
Energy: 0.3512959429806905
Energy: 0.35379865727538334
Energy: 0.345115681244006
Energy: 0.33563709305873735
Energy: 0.3480233919920236
Energy: 0.3859582944741659
Energy: 0.344993083348357
Energy: 0.35714523860073066
Energy: 0.33601302518784054
Energy: 0.37454146483552636
Energy: 0.3867521821861768
Energy: 0.3434217739630773
Energy: 0.35533928166997725
Energy: 0.38315416628933585
Energy: 0.3535033736142671
Energy: 0.3532035322167448
Energy: 0.3722097800404409
Energy: 0.37136407322446807
Energy: 0.3628094055576952
Energy: 0.353343651710972
Energy: 0.3552974305579531
Energy: 0.35484803297282136
Energy: 0.37199915593285016
Energy: 0.35496535005933094
Energy: 0.35453707685788566
Energy: 0.3532601837759782
Energy: 0.3870497636803817
Energy: 0.3619175515085835
Energy: 0.3722494778216567
Energy: 0.343809822087503
Energy: 0.34385278524606444
Energy: 0.38661922315084735
Energy: 0.34352132718598083
Energy: 0.3455846469737446
Energy: 0.3363488941339301
Energy: 0.3358494631233875
Energy: 0.37175373980187687
Energy: 0.3436290941883812
Energy: 0.3448313228129012
Energy: 0.33601389441867774
Energy: 0.3544034624840874
Energy: 0.37239666993717624
Energy: 0.3438757365928233
Energy: 0.35439486437346196
Energy: 0.363252262186002
Energy: 0.3359758889939659
Energy: 0.36992495081268634
Energy: 0.353531555717529
Energy: 0.35418449003316993
Energy: 0.3547664985059406
Energy: 0.3362397909837701
Energy: 0.3459038776656412
Energy: 0.35289375467542916
Energy: 0.34435043764297385
Energy: 0.3537287296475937
Energy: 0.34418490032126364
Energy: 0.3542323512583292
Energy: 0.36260833836722944
Energy: 0.3438287522624249
Energy: 0.38648570451802816
Energy: 0.3436408002069909
Energy: 0.3529688824425617
Energy: 0.3625420129740745
Energy: 0.3535050527457008
Energy: 0.34999246847752513
Energy: 0.37095429850705747
Energy: 0.3432332239595157
Energy: 0.3629426292025834
Energy: 0.3537377375641091
Energy: 0.3394949864169415
Energy: 0.37107080983373775
Energy: 0.34360519244811827
Energy: 0.3689015706781054
Energy: 0.3714698680570369
Energy: 0.3635268746821112
Energy: 0.35413396417135007
Energy: 0.3359298817648699
Energy: 0.3628934584808199
Energy: 0.3716823401449435
Energy: 0.36233438752225716
Energy: 0.3537206239894332
Energy: 0.33916141007321715
Energy: 0.36234793773679297
Energy: 0.3435740024325998
Energy: 0.36261086965518735
Energy: 0.3724450061679546
Energy: 0.33613195567686777
Energy: 0.3437408335030943
Energy: 0.3438072044473707
Energy: 0.3723722669031376
Energy: 0.37155840447265903
Energy: 0.3358611605942635
Energy: 0.35417080661887174
Energy: 0.3540236906632913
Energy: 0.34415233587729904
Energy: 0.36212315587963245
Energy: 0.35333184706262216
Energy: 0.3536239812709928
Energy: 0.3537359177705339
Energy: 0.35395177640269654
Energy: 0.4322545007156494
Energy: 0.3729337490101683
Energy: 0.3541764759322838
Energy: 0.33710424064357103
Energy: 0.37097390011719716
Energy: 0.35353663838453675
Energy: 0.34363571781442526
Energy: 0.3845677808677037
Energy: 0.33691154745393415
Energy: 0.37099124575225134
Energy: 0.3516530459177969
Energy: 0.3534095793539978
Energy: 0.3634057530103347

minimum gb energy = 0.3355121759790888 eV
minimum distance =  2.56115490580115 Angstroms
sigma value = 15


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

Energy: 0.3366189591600664
Energy: 0.3713621475800716
Energy: 0.34191020221177304
Energy: 0.35463346868577894
Energy: 0.36428215317741114
Energy: 0.3631015052559622
Energy: 0.36947739007067365
Energy: 0.3758053289091157
Energy: 0.3874864006473297
Energy: 0.36384192938378035
Energy: 0.34452884638364417
Energy: 0.3674927117284248
Energy: 0.3640048506613366
Energy: 0.3694482842073994
Energy: 0.3755151267488436
Energy: 0.33297901146057834
Energy: 0.3694042655006173
Energy: 0.3637291504554341
Energy: 0.36893301447234245
Energy: 0.37306393297055773
Energy: 0.4047852898746108
Energy: 0.37039943463490715
Energy: 0.3479387008997733
Energy: 0.34440314780011694
Energy: 0.3571877842661981
Energy: 0.38639391490209246
Energy: 0.3716399541656442
Energy: 0.3406259429323596
Energy: 0.35677904001635574
Energy: 0.3649897877777722
Energy: 0.36492956599662435
Energy: 0.355150807007461
Energy: 0.39685611230327805
Energy: 0.3932967931334734
Energy: 0.357469916895795
Energy: 0.37468548347519093
Energy: 0.3519270765122465
Energy: 0.37127231350514217
Energy: 0.40110027413557714
Energy: 0.3652600692078479
Energy: 0.3652539583137473
Energy: 0.37256054812560857
Energy: 0.3567727376144415
Energy: 0.3405084552074265
Energy: 0.3342733471888392
Energy: 0.34980899941886084
Energy: 0.372730576864327
Energy: 0.36420155415446054
Energy: 0.3379797475512316
Energy: 0.33680847250136103
Energy: 0.3350547279170712
Energy: 0.33991339927380204
Energy: 0.3425345427630559
Energy: 0.3891188196441643
Energy: 0.39383049773121537
Energy: 0.3527164918313025
Energy: 0.3423628893319084
Energy: 0.3440047751357803
Energy: 0.4111729338767728
Energy: 0.4278376879937974
Energy: 0.3494751639274526
Energy: 0.3387810867976329
Energy: 0.3556166569843757
Energy: 0.3521704190813951
Energy: 0.3716656024287133
Energy: 0.34924839662521884
Energy: 0.34410777740294496
Energy: 0.346921291673742
Energy: 0.34938473607376835
Energy: 0.39744588526190516
Energy: 0.3628366778262086
Energy: 0.33841361748362564
Energy: 0.3511385914893226
Energy: 0.3413835944818953
Energy: 0.38439407480684923
Energy: 0.3553940106196645
Energy: 0.3409831002666349
Energy: 0.3499658278695025
Energy: 0.3557135968799221
Energy: 0.3815850784805212
Energy: 0.3679824339799353
Energy: 0.35668520928084957
Energy: 0.3799388768146236
Energy: 0.3563022584352474
Energy: 0.35550581519144125
Energy: 0.3690700649725293
Energy: 0.4177099382913184
Energy: 0.3701684599210044
Energy: 0.3853719568389151
Energy: 0.3548521744895289
Energy: 0.3816369978782967
Energy: 0.3498956947746743
Energy: 0.3560463810941691
Energy: 0.3352188960087988
Energy: 0.34971749564511273
Energy: 0.38309818226155806
Energy: 0.34102610734344907
Energy: 0.35071339676465557
Energy: 0.3351334894788407
Energy: 0.3451791567721594
Energy: 0.3641023705558209
Energy: 0.3678634665141216
Energy: 0.3376896996729753
Energy: 0.35051091108606436
Energy: 0.34405333959907547
Energy: 0.37355634551903427
Energy: 0.3737497546339062
Energy: 0.34568925291634256
Energy: 0.3511307453932688
Energy: 0.3412228436732575
Energy: 0.40958729249638665
Energy: 0.37850791468344186
Energy: 0.34478868029583304
Energy: 0.3324618250528799
Energy: 0.3772474228274666
Energy: 0.40990442215277156
Energy: 0.3770743591477321
Energy: 0.34512103921742293
Energy: 0.3739708722149776
Energy: 0.3790471771395906
Energy: 0.37479510748059747
Energy: 0.37526655968516076
Energy: 0.36360065045209916
Energy: 0.36333084744558175
Energy: 0.3672882228504627
Energy: 0.37498558832773515
Energy: 0.3734347684670186
Energy: 0.3637916436795078
Energy: 0.3638805054136665
Energy: 0.364816860990803
Energy: 0.3595643988657228
Energy: 0.3683716583112864
Energy: 0.3806609211528047
Energy: 0.36565849055997895
Energy: 0.350003597753397
Energy: 0.3598905616086942
Energy: 0.37177888213313187
Energy: 0.3732850464317932
Energy: 0.3684231959615474
Energy: 0.359091981615519
Energy: 0.34797040276943975
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Energy: 0.35658390431250514
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Energy: 0.3606301539832677
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Energy: 0.3961289801304868
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Energy: 0.3901124295294637
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Energy: 0.3740655859157431
Energy: 0.3417443310336822
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Energy: 0.34409214347850775
Energy: 0.35758744804674875
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Energy: 0.3483688462858128
Energy: 0.3469700342613566
Energy: 0.3387835454428455
Energy: 0.3548037855666667
Energy: 0.3430311029755559
Energy: 0.3519240218624487
Energy: 0.3524313333570248
Energy: 0.3607279714621574
Energy: 0.3800974383601801
Energy: 0.3385714619515478
Energy: 0.34421678517957016
Energy: 0.3720662294352411
Energy: 0.3736803117432674
Energy: 0.3623187712521093
Energy: 0.3385139237055084
Energy: 0.3411041057748186
Energy: 0.3830626457520543
Energy: 0.3371872170226081
Energy: 0.3498512249813309
Energy: 0.358602603951724
Energy: 0.3648431518692562
Energy: 0.36557548939384665
Energy: 0.337746648574813
Energy: 0.35801361941339144
Energy: 0.3768003294821851
Energy: 0.3821674938196852
Energy: 0.341596712120837
Energy: 0.34029304208417865
Energy: 0.366329753971436
Energy: 0.4167143824001503
Energy: 0.3611166881369967
Energy: 0.33152213129186514
Energy: 0.3317169687507223
Energy: 0.381404930181832
Energy: 0.4151977494804727
Energy: 0.36675738584831624
Energy: 0.35669312150377
Energy: 0.34380288860201313
Energy: 0.3484598273685051
Energy: 0.3678413361728735
Energy: 0.3409949048953045
Energy: 0.3549031108235792
Energy: 0.3582067083780408
Energy: 0.35492552099265207
Energy: 0.3560043784449031
Energy: 0.3418681848479326
Energy: 0.34880099764818384
Energy: 0.3693267646510276
Energy: 0.35763668560038286
Energy: 0.406148530364775
Energy: 0.3778810917568618
Energy: 0.3358717737947847
Energy: 0.3815107216162632
Energy: 0.3563215473673452
Energy: 0.3653987925423503
Energy: 0.3790442506703304
Energy: 0.34874249688033404
Energy: 0.38400416197785264
Energy: 0.3709892182240785
Energy: 0.3616012847712065
Energy: 0.33372802630632203
Energy: 0.35484637698013144
Energy: 0.37542028570208436
Energy: 0.3716576876915669
Energy: 0.35485332572319395
Energy: 0.3344286560990604

minimum gb energy = 0.33035912453023386 eV
minimum distance =  2.54254832146764 Angstroms
sigma value = 437


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

Energy: 0.49422344130461854
Energy: 0.35057618443420047
Energy: 0.34736707018564045
Energy: 0.3425870545282339
Energy: 0.3974020186980462
Energy: 0.49435962997335714
Energy: 0.3514232450091146
Energy: 0.3474756566166677
Energy: 0.35817783302193956
Energy: 0.36477591447118524
Energy: 0.32020123840913317
Energy: 0.3493042908842035
Energy: 0.3321507600422445
Energy: 0.3745260536324064
Energy: 0.3274515139507229
Energy: 0.32020367727918664
Energy: 0.34927985706298137
Energy: 0.3301455894276073
Energy: 0.3489453714218329
Energy: 0.3265819776850591
Energy: 0.3516812215837066
Energy: 0.3580082265256103
Energy: 0.31924992580680445
Energy: 0.3306868036591404
Energy: 0.3570638917319168
Energy: 0.3521763873470955
Energy: 0.35846631986156374
Energy: 0.3211283421380029
Energy: 0.32917398389031227
Energy: 0.3471198089853344
Energy: 0.32907522233756964
Energy: 0.33357965746875545
Energy: 0.3445646388124509
Energy: 0.3527851530161032
Energy: 0.3222078752873241
Energy: 0.3296019568879859
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Energy: 0.3554752620436384
Energy: 0.35158322298937333
Energy: 0.321511616854765
Energy: 0.39689877668281415
Energy: 0.3594085016935085
Energy: 0.3310202118698669
Energy: 0.3312572714027983
Energy: 0.31979666926824374
Energy: 0.3960550848166614
Energy: 0.35915318674328656
Energy: 0.330245793982617
Energy: 0.33319612461944415
Energy: 0.3201366888299187
Energy: 0.33252325739908895
Energy: 0.3277578506711981
Energy: 0.3182889530641339
Energy: 0.3613953606856102
Energy: 0.3180376676696578
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Energy: 0.3272287479272913
Energy: 0.3181337497669323
Energy: 0.36116040794303633
Energy: 0.31868875011191755
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Energy: 0.34964060181870865
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Energy: 0.3313492172837715
Energy: 0.32084306956162006
Energy: 0.35752724649510265
Energy: 0.3490461545663991
Energy: 0.34872415334259893
Energy: 0.3657765838723478
Energy: 0.3202218890932781
Energy: 0.36408586485831623
Energy: 0.32535566456069026
Energy: 0.3263738654931449
Energy: 0.3297770414128368
Energy: 0.35755219112753467
Energy: 0.36276487671874924
Energy: 0.3278532564765261
Energy: 0.3272084067701798
Energy: 0.37941641046660374
Energy: 0.3573929647360982
Energy: 0.32822658497300045
Energy: 0.3237133168808931
Energy: 0.3576581200560375
Energy: 0.3448706285761407
Energy: 0.32866541119372705
Energy: 0.32813145590306225
Energy: 0.32072849589926844
Energy: 0.357702765150553
Energy: 0.3457013060470952
Energy: 0.32772153693123723
Energy: 0.3322767427211458
Energy: 0.3438375948665064
Energy: 0.3254923496455876
Energy: 0.39835468081096614
Energy: 0.35884454467405985
Energy: 0.3594188441106821
Energy: 0.3650884978587652
Energy: 0.32605438314417035
Energy: 0.40042526175776577
Energy: 0.3586094853987525
Energy: 0.3203271542245876
Energy: 0.3192381733800345
Energy: 0.3590263592935464
Energy: 0.3185123602691149
Energy: 0.3242726411054802
Energy: 0.3188165721336758
Energy: 0.31874869653274196
Energy: 0.3601656165158576
Energy: 0.318614478774532
Energy: 0.32902569214280125
Energy: 0.3224080619642489
Energy: 0.32232200890679474
Energy: 0.322593986011894
Energy: 0.34402238383745404
Energy: 0.32046866300299487
Energy: 0.3230396189121643
Energy: 0.32269046047896977
Energy: 0.32366850184543366
Energy: 0.35906931005992493
Energy: 0.3199976047343198
Energy: 0.31966101273214875
Energy: 0.3210233913132429
Energy: 0.3310810303853985
Energy: 0.3481065473603691
Energy: 0.360493566057884
Energy: 0.31959634239148743
Energy: 0.32142990302488744
Energy: 0.32442195840749205
Energy: 0.34762988387722715
Energy: 0.36071095462909886
Energy: 0.3230020492709683
Energy: 0.3326708204108598
Energy: 0.36341064416566443
Energy: 0.36822899401514675
Energy: 0.32439364713815577
Energy: 0.3748550309280934
Energy: 0.36111400632440377
Energy: 0.35979119668751125
Energy: 0.32927264971004044
Energy: 0.3315561662237483

minimum gb energy = 0.3180376676696578 eV
minimum distance =  2.635225780254 Angstroms
sigma value = 33