Model name: model_name=MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049998879432679
cohesive_energy=3.360254209517775
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011721966491223344
Energy: 0.20667872826482184
Energy: 0.20667872826482184
Energy: 0.011721966491223344
Energy: 0.20667872826482184
Energy: 0.20667872826482184
Energy: 0.011721966491223344
Energy: 0.20667872826482184
Energy: 0.20667872826482184
Energy: 0.011721966491223344
Energy: 0.20633417955587136
Energy: 0.012717208499527757
Energy: 0.20702881005668758
Energy: 0.20633417955587136
Energy: 0.012717208498376088
Energy: 0.20702881005553592
Energy: 0.20633417955587136
Energy: 0.012717208498376088
Energy: 0.20702881005553592
Energy: 0.20633417955587136
Energy: 0.8819400131583016
Energy: 0.38403702761531966
Energy: 0.28351513155046176
Energy: 0.8966545190252168
Energy: 0.18060152248589362
Energy: 0.1300437435443997
Energy: 0.639612443577446
Energy: 0.014720593062835723
Energy: 0.1300437435443997
Energy: 0.6396111179075259
Energy: 0.20633417955587136
Energy: 0.20702881005668758
Energy: 0.012717208499527757
Energy: 0.20633417955587136
Energy: 0.20702881005668758
Energy: 0.012717208499527757
Energy: 0.20633417955587136
Energy: 0.20702881005668758
Energy: 0.012717208499527757
Energy: 0.20633417955587136
Energy: 0.011721966491223344
Energy: 0.20667872826482184
Energy: 0.20667872826482184
Energy: 0.011721966491223344
Energy: 0.20667872826482184
Energy: 0.20667872826482184
Energy: 0.011721966491223344
Energy: 0.20667872826482184
Energy: 0.20667872826482184
Energy: 0.011721966491223344
Energy: 0.20633417955587136
Energy: 0.012717208499527757
Energy: 0.20702881005553592
Energy: 0.20633417955587136
Energy: 0.012717208498376088
Energy: 0.20702881005668758
Energy: 0.20633417955587136
Energy: 0.012717208498376088
Energy: 0.20702881005553592
Energy: 0.20633417955587136
Energy: 0.6395853025869704
Energy: 0.1300437435443997
Energy: 0.18060152248589362
Energy: 0.6396270894800998
Energy: 0.40796684526402077
Energy: 0.18060152248589362
Energy: 0.6396061504280646
Energy: 0.38403702761531966
Energy: 0.38403702761531966
Energy: 0.6396040236609689

minimum gb energy = 0.011721966491223344 eV
minimum distance =  2.65773442126535 Angstroms
sigma value = 3


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

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Energy: 0.7356390860882299
Energy: 0.7762006391644972
Energy: 0.5626402697130175
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Energy: 0.7356390860899225
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Energy: 0.5626402697130175
Energy: 0.652315024758522
Energy: 0.5911423974828509
Energy: 0.7782516940287336
Energy: 0.652315026119041
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Energy: 0.7782516940563794
Energy: 0.6523150250481108
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Energy: 0.6523150251321256
Energy: 0.8063748431171541
Energy: 0.7252823138710698
Energy: 0.7986640743756498
Energy: 0.7809330998196212
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Energy: 0.5402221108256401
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Energy: 0.8187816161712544
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Energy: 0.7227667625986595
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Energy: 0.722766762597249
Energy: 0.5407283123591797
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Energy: 0.8229030375805768
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Energy: 0.772804329172557
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Energy: 0.7730842041870233
Energy: 0.6037921990102789
Energy: 0.6103181494499114
Energy: 0.7730842041884337
Energy: 0.6041761632965064
Energy: 0.6103181494496294
Energy: 0.7730842041856129
Energy: 0.6037921990099967
Energy: 0.6103181494510399
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Energy: 0.7356390860887939
Energy: 0.7762006391639331
Energy: 0.5618697888563324
Energy: 0.7356390860879477
Energy: 0.7762006391628047
Energy: 0.5894422201769682
Energy: 0.7356390860899225
Energy: 0.7762006391619583
Energy: 0.5618697888568966
Energy: 0.6523150249891775
Energy: 0.5911423974820046
Energy: 0.7782516941105171
Energy: 0.6523150249065477
Energy: 0.5911423974822867
Energy: 0.7782516941003614
Energy: 0.6523150246420657
Energy: 0.591142397483133
Energy: 0.7782516941460361
Energy: 0.6523150262498844
Energy: 0.7921423655281532
Energy: 0.7252823138710698
Energy: 0.7986640743753677
Energy: 0.7989732487106873
Energy: 0.7252823138710698
Energy: 0.7986640743739573
Energy: 0.7921423655289996
Energy: 0.7252823138719161
Energy: 0.7986640743739573
Energy: 0.7989732487109694
Energy: 0.7445667409788954
Energy: 0.7434563642697375
Energy: 0.540222110825076
Energy: 0.7445667409777671
Energy: 0.7434563642694553
Energy: 0.5402221108270506
Energy: 0.7445667409777671
Energy: 0.7434563642694553
Energy: 0.5402221108270506
Energy: 0.7445667409788954

minimum gb energy = 0.5274260795324783 eV
minimum distance =  2.45748018843822 Angstroms
sigma value = 75


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

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Energy: 0.5040919879165244
Energy: 0.5166743074799025
Energy: 0.5929681646877174
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minimum gb energy = 0.5028081066522901 eV
minimum distance =  2.43798637027021 Angstroms
sigma value = 105


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

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Energy: 0.7110979977756564
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Energy: 0.6907237486024623
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Energy: 0.6847292277372747
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Energy: 0.7705164358823989
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Energy: 0.6982212708323726
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Energy: 0.7604552313874313
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Energy: 0.6801306760462875
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Energy: 0.6801306760458357
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Energy: 0.6581442178113875
Energy: 0.7128822913661789
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Energy: 0.7128822913655578
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Energy: 0.7128822913664895
Energy: 0.7228393633388364
Energy: 0.6581442178112463
Energy: 0.6694196684350342
Energy: 0.6776311793071326
Energy: 0.6717461289253306
Energy: 0.6694196684348649
Energy: 0.6774865304887786
Energy: 0.6717461289242578
Energy: 0.6694196684345541
Energy: 0.6776311793058902
Energy: 0.6717461289251895
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Energy: 0.7840871841272866
Energy: 0.6793770275318347
Energy: 0.7225148652856026
Energy: 0.7840871841266656
Energy: 0.6793658192692615
Energy: 0.7225148652846708
Energy: 0.7840871841269761
Energy: 0.6793770275326252
Energy: 0.7225148652846708
Energy: 0.784087184128049
Energy: 0.7082335596031768
Energy: 0.7053750196447383
Energy: 0.6081039892093326
Energy: 0.7082335596034873
Energy: 0.7053750196447383
Energy: 0.6081039892099256
Energy: 0.7082335596039673
Energy: 0.7053750196447383
Energy: 0.6081039892104055
Energy: 0.7082335596034873
Energy: 0.6957819527486016
Energy: 0.7819705853202114
Energy: 0.6550607745849387
Energy: 0.6957819527479805
Energy: 0.7917870789301047
Energy: 0.65506077458604
Energy: 0.6957819527473593
Energy: 0.7819705853202114
Energy: 0.6550607745857293
Energy: 0.6957819527475287
Energy: 0.6982120864910983
Energy: 0.6866977839093332
Energy: 0.7113030788430957
Energy: 0.6982120864915783
Energy: 0.6917709903371392
Energy: 0.711303078842644
Energy: 0.6982120864914089
Energy: 0.6866977839099544
Energy: 0.7113030788430957
Energy: 0.6982120864912676
Energy: 0.7196598753555643
Energy: 0.6481393528010683
Energy: 0.7115735501047059
Energy: 0.7196598753553949
Energy: 0.6480468427409738
Energy: 0.7115735501037742
Energy: 0.7196598753555643
Energy: 0.6481393528006165
Energy: 0.7115735501037742
Energy: 0.7196598753552538

minimum gb energy = 0.5891201845081003 eV
minimum distance =  2.47214399291068 Angstroms
sigma value = 165


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

Energy: 0.6326945052526387
Energy: 0.7527689178256227
Energy: 0.7527359609414325
Energy: 0.632694505253172
Energy: 0.7527841727577103
Energy: 0.7527973215933766
Energy: 0.6326945052526387
Energy: 0.7527507822751386
Energy: 0.7526006065228399
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Energy: 0.732368842776389
Energy: 0.7424961740009769
Energy: 0.7685590907668644
Energy: 0.7323686999562665
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Energy: 0.768561603851604
Energy: 0.7323687046557649
Energy: 0.7127293687108825
Energy: 0.8413862131602351
Energy: 0.6045093704862371
Energy: 0.7130548731076173
Energy: 0.8413862131655663
Energy: 0.6044982785416203
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Energy: 0.7130592957673643
Energy: 0.7972816925049593
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Energy: 0.6224756124492647
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Energy: 0.6095253432026722
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Energy: 0.7531336013036539
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Energy: 0.7322956175170595
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Energy: 0.7989193549643918
Energy: 0.7322931228727602
Energy: 0.619375263205597
Energy: 0.8646581776814048
Energy: 0.8285563324138285
Energy: 0.6193752632029312
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Energy: 0.8285567026065656
Energy: 0.6193752632285211
Energy: 0.8646581776814048
Energy: 0.8285559007999124
Energy: 0.6193752632301205
Energy: 0.706513885154217
Energy: 0.6938276959013571
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Energy: 0.706511900474132
Energy: 0.6939820691469105
Energy: 0.770081097927566
Energy: 0.7065044253087026
Energy: 0.6940086756346066
Energy: 0.7700810979270329
Energy: 0.7065077371552063
Energy: 0.7971242131995244
Energy: 0.6225574762135143
Energy: 0.87409465790793
Energy: 0.7971242111868279
Energy: 0.6225458880434682
Energy: 0.87409465790793
Energy: 0.797124210569233
Energy: 0.6225578855635769
Energy: 0.87409465790793
Energy: 0.7971242102388443
Energy: 0.7130512527607689
Energy: 0.6040657685234216
Energy: 0.8413732001276732
Energy: 0.713047105966542
Energy: 0.6040593192936621
Energy: 0.8413731999400879
Energy: 0.7130376521005222
Energy: 0.6040706419446358
Energy: 0.8413732000200315
Energy: 0.7128927611167362
Energy: 0.7323644288058144
Energy: 0.7703145097157058
Energy: 0.7424555316288556
Energy: 0.732364338392084
Energy: 0.7703145565278793
Energy: 0.7424555316293887
Energy: 0.7323643130449813
Energy: 0.7703145357939338
Energy: 0.7424555316299218
Energy: 0.7323643317896874
Energy: 0.632694505253172
Energy: 0.7527891829603761
Energy: 0.7527998092116188
Energy: 0.632694505253172
Energy: 0.7527813885820707
Energy: 0.7527912514246057
Energy: 0.6326945052526387
Energy: 0.7527833423330957
Energy: 0.7527885725807425
Energy: 0.6326945052526387

minimum gb energy = 0.6040593192936621 eV
minimum distance =  2.60146830006283 Angstroms
sigma value = 41


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

Energy: 0.7120422182065484
Energy: 0.7120525954730295
Energy: 0.711933635913897
Energy: 0.7120422181554763
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Energy: 0.6618007675986747
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Energy: 0.6992267238971048
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Energy: 0.7072622951444274
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Energy: 0.7213279569615108
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Energy: 0.6018469517976511
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Energy: 0.6682535385599746
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Energy: 0.6721320985651432
Energy: 0.6911351340416132
Energy: 0.6682535387334245
Energy: 0.750957449769953
Energy: 0.675106433821141
Energy: 0.7602431803202345
Energy: 0.7509574497710061
Energy: 0.6751064338209529
Energy: 0.7602431803210619
Energy: 0.750957449769953
Energy: 0.6751064338201255
Energy: 0.760243180322303
Energy: 0.7509574497707804
Energy: 0.7133965066471468
Energy: 0.7110568613290714
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Energy: 0.7110568613292594
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Energy: 0.7133965066475605
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Energy: 0.7125834552897959
Energy: 0.713396506646733
Energy: 0.6783875146595325
Energy: 0.7287201528951623
Energy: 0.7134796441873543
Energy: 0.6783875146584795
Energy: 0.7287195717956295
Energy: 0.7134805672395744
Energy: 0.6783875146580658
Energy: 0.7287319083894984
Energy: 0.7134798570823881
Energy: 0.6783875146599463
Energy: 0.6071411896662672
Energy: 0.6083484093105604
Energy: 0.6080465698306299
Energy: 0.607141189663597
Energy: 0.6083442993664615
Energy: 0.6080358932323943
Energy: 0.6071411896644243
Energy: 0.6083484030515113
Energy: 0.6082225413610779
Energy: 0.607141189664838
Energy: 0.656389782407268
Energy: 0.6055902541493622
Energy: 0.6149802465712304
Energy: 0.6563850542363471
Energy: 0.6055902541487228
Energy: 0.613145965828196
Energy: 0.6563938011213082
Energy: 0.6055902541497759
Energy: 0.6131443642396108
Energy: 0.6563925098071609
Energy: 0.735909766427462
Energy: 0.6070254926930148
Energy: 0.6378450315299112
Energy: 0.7359097664278756
Energy: 0.6070254926948953
Energy: 0.6378540860417935
Energy: 0.735909766427462
Energy: 0.6070254926928267
Energy: 0.6378235886860169
Energy: 0.7359097664276877
Energy: 0.798047986374712
Energy: 0.6988222751868653
Energy: 0.6017635702218099
Energy: 0.7980479863740726
Energy: 0.6988222751872791
Energy: 0.6017635702203432
Energy: 0.7980479863744863
Energy: 0.6988222751872791
Energy: 0.6017635702207569
Energy: 0.7980479863740726

minimum gb energy = 0.5987338489429669 eV
minimum distance =  2.52764881115148 Angstroms
sigma value = 185


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

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Energy: 0.418625026314859
Energy: 0.41702153835732514
Energy: 0.4216647631619678
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Energy: 0.4716085245290801
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Energy: 0.49496651951894854
Energy: 0.3928641952494425
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Energy: 0.4949665195187031
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Energy: 0.5408668181139875
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Energy: 0.4348638330620227
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Energy: 0.41638610224538725
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Energy: 0.4101466137702893
Energy: 0.4210643615726023
Energy: 0.49496651951894854
Energy: 0.3955789914866597
Energy: 0.4210643615726023
Energy: 0.49496651951943965
Energy: 0.4101466137722536
Energy: 0.4210643615733166
Energy: 0.49496651951845755
Energy: 0.48139652271392636
Energy: 0.4329025170932496
Energy: 0.4211659416178895
Energy: 0.5222274226496815
Energy: 0.4253918119228788
Energy: 0.42116594161739834
Energy: 0.4813965227141496
Energy: 0.4329025170939862
Energy: 0.42116594161813503
Energy: 0.5222274226491903
Energy: 0.39611181811413904
Energy: 0.39417967839288554
Energy: 0.41922298548632714
Energy: 0.39594209916767786
Energy: 0.39455829911842816
Energy: 0.41922298548608156
Energy: 0.39611181811364793
Energy: 0.39417967839362217
Energy: 0.41922298548608156
Energy: 0.39594209916865997
Energy: 0.44945207445800045
Energy: 0.5022502692527212
Energy: 0.4207980032850214
Energy: 0.4493944802899964
Energy: 0.5022502692529667
Energy: 0.4207980032842848
Energy: 0.4494520744575094
Energy: 0.5022502692524756
Energy: 0.4207980032842848
Energy: 0.4493944802897508

minimum gb energy = 0.39273186436788765 eV
minimum distance =  2.59730286545625 Angstroms
sigma value = 33


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

Energy: 0.6119351622507402
Energy: 0.6524466324123439
Energy: 0.6581629157444702
Energy: 0.6033567677843044
Energy: 0.6524466324123439
Energy: 0.6581629157431221
Energy: 0.6119351622507402
Energy: 0.6524466324109961
Energy: 0.6581629157417742
Energy: 0.6033567677856523
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Energy: 0.699496291617634
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Energy: 0.6681190347666032
Energy: 0.6410884722142781
Energy: 0.5921386585009626
Energy: 0.6681190347666032
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minimum gb energy = 0.5791307135412833 eV
minimum distance =  2.49794321453414 Angstroms
sigma value = 219


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

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Energy: 0.6907284483064501
Energy: 0.7645830723332309
Energy: 0.690007754059481

minimum gb energy = 0.6544613983888716 eV
minimum distance =  2.56039020299653 Angstroms
sigma value = 15


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

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minimum gb energy = 0.6754618097119617 eV
minimum distance =  2.50345586568231 Angstroms
sigma value = 293


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

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Energy: 0.7959791735499969
Energy: 0.7709730505209833
Energy: 0.6469939484687188
Energy: 0.7959791735501984
Energy: 0.7709730505219908
Energy: 0.6469939484689202
Energy: 0.7959791735499969
Energy: 0.7084333105987689
Energy: 0.8443315091745202
Energy: 0.6504508243806005
Energy: 0.7084333105989704
Energy: 0.8443315091751246
Energy: 0.650450824380802
Energy: 0.7084333105985674
Energy: 0.8443315091749231
Energy: 0.650450824380802
Energy: 0.7084333105987689
Energy: 0.7051459057105272
Energy: 0.70883009162161
Energy: 0.6480774994883368
Energy: 0.7051459057105272
Energy: 0.7088300916214086
Energy: 0.6480774994883368
Energy: 0.7051459057105272
Energy: 0.7088300916214086
Energy: 0.6480774994883368
Energy: 0.7051459057103255
Energy: 0.6986126729094305
Energy: 0.7743873569787162
Energy: 0.6540968935975133
Energy: 0.6986126729098336
Energy: 0.7743873569787162
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Energy: 0.6986126729094305
Energy: 0.7743873569789178
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Energy: 0.6986126729088261
Energy: 0.6772376050130862
Energy: 0.8380715769094957
Energy: 0.83810921666784
Energy: 0.6772376050128848
Energy: 0.8380715769094957
Energy: 0.83810921666784
Energy: 0.6772376050130862
Energy: 0.8380715769092942
Energy: 0.83810921666784
Energy: 0.6772376050128848
Energy: 0.6986151228064409
Energy: 0.6540753792474551
Energy: 0.7743835600881135
Energy: 0.6986151228062395
Energy: 0.6540753792474551
Energy: 0.7743835600871061
Energy: 0.6986151228064409
Energy: 0.6540753792474551
Energy: 0.7743835600873075
Energy: 0.6986151228064409
Energy: 0.7051958863317818
Energy: 0.6480809471303374
Energy: 0.70898319247627
Energy: 0.7051958863317818
Energy: 0.6480809471303374
Energy: 0.7089831924764715
Energy: 0.7051958863317818
Energy: 0.6480809471303374
Energy: 0.7089831924764715
Energy: 0.7051958863319833
Energy: 0.7084691712697733
Energy: 0.6512370466400174
Energy: 0.8444289489370188
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Energy: 0.651237046640219
Energy: 0.8444289489374219
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Energy: 0.7084691712699749
Energy: 0.7959860688559618
Energy: 0.6470579902758117
Energy: 0.7708816497231564
Energy: 0.7959860688561633
Energy: 0.6470579902766178
Energy: 0.7708816497239624
Energy: 0.7959860688561633
Energy: 0.6470579902762147
Energy: 0.7708816497231564
Energy: 0.7959860688559618
Energy: 0.8011443471637943
Energy: 0.7245067461026707
Energy: 0.7180184825714819
Energy: 0.8011443471639959
Energy: 0.7245067461028721
Energy: 0.7180184825714819
Energy: 0.8011443471637943
Energy: 0.7245067461026707
Energy: 0.7180184825714819
Energy: 0.8011443471641974
Energy: 0.6719052312455768
Energy: 0.7201424349700472
Energy: 0.6765895724075563
Energy: 0.6719052312455768
Energy: 0.7201424349978359
Energy: 0.676589572407355
Energy: 0.6719052312455768
Energy: 0.7201424349353891
Energy: 0.6765895724075563
Energy: 0.6719052312455768
Energy: 0.722511121424146
Energy: 0.7346774068237267
Energy: 0.7346770293856538
Energy: 0.722511121424146
Energy: 0.7346774068237267
Energy: 0.7346770293856538
Energy: 0.722511121424146
Energy: 0.7346774068237267
Energy: 0.7346770293856538
Energy: 0.722511121424146
Energy: 0.6719616056902218
Energy: 0.6764953433010151
Energy: 0.7306781469708138
Energy: 0.671961605689819
Energy: 0.6764953433012167
Energy: 0.730678149277168
Energy: 0.6719616056902218
Energy: 0.6764953433012167
Energy: 0.7306781459903315
Energy: 0.6719616056902218
Energy: 0.8011818824767104
Energy: 0.7180264956741733
Energy: 0.72451854186006
Energy: 0.801181882476509
Energy: 0.7180264956741733
Energy: 0.7245185418602617
Energy: 0.8011818824763074
Energy: 0.7180264956741733
Energy: 0.7245185418598586
Energy: 0.8011818824763074
Energy: 0.7959791735499969
Energy: 0.7709730505205804
Energy: 0.6469939484689202
Energy: 0.7959791735501984
Energy: 0.7709730505211847
Energy: 0.6469939484689202
Energy: 0.7959791735499969
Energy: 0.7709730505211847
Energy: 0.6469939484687188
Energy: 0.7959791735501984
Energy: 0.7084333105987689
Energy: 0.8443315091747217
Energy: 0.6504508243812049
Energy: 0.7084333105987689
Energy: 0.8443315091747217
Energy: 0.6504508243810035
Energy: 0.7084333105985674
Energy: 0.8443315091749231
Energy: 0.6504508243812049
Energy: 0.7084333105985674

minimum gb energy = 0.6469939484687188 eV
minimum distance =  2.51037089341376 Angstroms
sigma value = 293


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

Energy: 0.6543257434789763
Energy: 0.6936362735325977
Energy: 0.69376888360388
Energy: 0.6543257434789763
Energy: 0.6936362737106039
Energy: 0.6936191373243585
Energy: 0.6543257434800689
Energy: 0.6936257257700331
Energy: 0.6934671021803163
Energy: 0.6543257434789763
Energy: 0.7002631665435486
Energy: 0.6552423864340003
Energy: 0.7005169414068143
Energy: 0.7002631293817089
Energy: 0.6552423864329077
Energy: 0.700517444822042
Energy: 0.7002633458599334
Energy: 0.6552423864325435
Energy: 0.7005169991966946
Energy: 0.7002632316067021
Energy: 0.6924814496165493
Energy: 0.6547781902292494
Energy: 0.6728463309950728
Energy: 0.6924799263121024
Energy: 0.6547930970187873
Energy: 0.6728460347090953
Energy: 0.6924773774508441
Energy: 0.6547686680209137
Energy: 0.6728445176691978
Energy: 0.6926192572385399
Energy: 0.6729403383367087
Energy: 0.654733044146868
Energy: 0.6924936352069053
Energy: 0.6729396287809574
Energy: 0.6547261712213807
Energy: 0.6924971257935671
Energy: 0.6729406859867307
Energy: 0.6547329582638285
Energy: 0.6924936989930429
Energy: 0.6729414111618662
Energy: 0.7005005150673974
Energy: 0.6552221117036845
Energy: 0.7002646141770611
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Energy: 0.6552221117040485
Energy: 0.7002646449203487
Energy: 0.7005006458438666
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Energy: 0.7002646141537527
Energy: 0.7005005777665602
Energy: 0.6936506221767041
Energy: 0.6937815636481529
Energy: 0.654325743478612
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Energy: 0.6937744648572597
Energy: 0.6543257434789763
Energy: 0.6936496662956793
Energy: 0.6937727450717522
Energy: 0.654325743478612
Energy: 0.6936374836980055
Energy: 0.6552423864325435
Energy: 0.7005170908706874
Energy: 0.7002633685986046
Energy: 0.6552423864332719
Energy: 0.700517076436229
Energy: 0.7002635499578971
Energy: 0.6552423864332719
Energy: 0.7005170473354385
Energy: 0.7002632481598033
Energy: 0.6552423864329077
Energy: 0.6547750926745671
Energy: 0.6728460527386895
Energy: 0.6924845776273058
Energy: 0.6547729427786069
Energy: 0.6728462684808361
Energy: 0.6924789315535713
Energy: 0.6547806523330644
Energy: 0.6728468668703307
Energy: 0.6924757973503254
Energy: 0.6547827160467533
Energy: 0.6547368862571767
Energy: 0.6924888284002513
Energy: 0.6729408842271274
Energy: 0.6547360416894752
Energy: 0.6924903103510804
Energy: 0.672941333343154
Energy: 0.6547405355460221
Energy: 0.692628512168853
Energy: 0.6729413132662654
Energy: 0.6547362855080451
Energy: 0.6552221117044128
Energy: 0.700264770511231
Energy: 0.7005010516849243
Energy: 0.6552221117036845
Energy: 0.7002648169073751
Energy: 0.7005008730714759
Energy: 0.6552221117040485
Energy: 0.7002645722959635
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Energy: 0.6552221117047771
Energy: 0.6934656948436579
Energy: 0.6543257434793405
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Energy: 0.6543257434793405
Energy: 0.6936481398034269
Energy: 0.6936195180343474
Energy: 0.6543257434789763
Energy: 0.6936287584282782
Energy: 0.6934674777971731
Energy: 0.7005200107503896
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Energy: 0.6552423864329077
Energy: 0.7005185058905313
Energy: 0.7002635635252357
Energy: 0.6552423864321794
Energy: 0.7005176369358346
Energy: 0.7002631304148169
Energy: 0.6552423864329077
Energy: 0.7005178464658421
Energy: 0.6728464681318402
Energy: 0.692614689856635
Energy: 0.6547827151508788
Energy: 0.6728459318000869
Energy: 0.6924774980949493
Energy: 0.6547793394930707
Energy: 0.6728449925151044
Energy: 0.6924809019187381
Energy: 0.6547694077604574
Energy: 0.6728463337121793
Energy: 0.6924897682017712
Energy: 0.672940915283486
Energy: 0.6547271702051953
Energy: 0.6924923518685098
Energy: 0.6729408118284408
Energy: 0.6547320859666282
Energy: 0.6924900189638235
Energy: 0.6729409404134622
Energy: 0.6547274325742833
Energy: 0.6924964761121047
Energy: 0.7002646446931934
Energy: 0.7005007068561173
Energy: 0.6552221117033202
Energy: 0.7002647437653434
Energy: 0.7005005761379022
Energy: 0.6552221117047771
Energy: 0.7002652512635061
Energy: 0.7005005295826732
Energy: 0.6552221117036845
Energy: 0.7002646260239989
Energy: 0.654325743478612
Energy: 0.6936269440780193
Energy: 0.6937749178257882
Energy: 0.6543257434793405
Energy: 0.6936454282917509
Energy: 0.6937688486305743
Energy: 0.6543257434793405
Energy: 0.6936287028444131
Energy: 0.6937685107346883
Energy: 0.6543257434789763
Energy: 0.7002632322091719
Energy: 0.6552423864332719
Energy: 0.7005171282498492
Energy: 0.7002632479501292
Energy: 0.6552423864329077
Energy: 0.7005177361252041
Energy: 0.7002632235791583
Energy: 0.6552423864325435
Energy: 0.7005181108971565
Energy: 0.7002632363292542
Energy: 0.6926158380571371
Energy: 0.6547737540016607
Energy: 0.6728468214392241
Energy: 0.6926157754719329
Energy: 0.6547877122606549
Energy: 0.672845087438782
Energy: 0.6924739135769619
Energy: 0.6547753711027656
Energy: 0.6728463622851257
Energy: 0.6924801424998193
Energy: 0.6729410373170921
Energy: 0.6547374044424807
Energy: 0.692631536263334
Energy: 0.6729399928391991
Energy: 0.6547348874577538
Energy: 0.6924855821254051
Energy: 0.6729413474689118
Energy: 0.6547279986238644
Energy: 0.692492122580495
Energy: 0.6729415194413871
Energy: 0.7005004143116299
Energy: 0.6552221117036845
Energy: 0.7002645622578751
Energy: 0.7005006395800291
Energy: 0.6552221117036845
Energy: 0.700264802552641
Energy: 0.7005006793497677
Energy: 0.6552221117040485
Energy: 0.7002645195722652
Energy: 0.7005005608745469
Energy: 0.6936402838800829
Energy: 0.6936222623104004
Energy: 0.6543257434782479
Energy: 0.6936389059168775
Energy: 0.6936334955154762
Energy: 0.6543257434793405
Energy: 0.6936324479477117
Energy: 0.693630335928546
Energy: 0.6543257434789763
Energy: 0.6936301739934306
Energy: 0.6552423864318151
Energy: 0.7005174243851184
Energy: 0.7002634407610311
Energy: 0.6552423864325435
Energy: 0.7005169216255156
Energy: 0.7002635780048373
Energy: 0.6552423864336361
Energy: 0.700517052093284
Energy: 0.7002633314138209
Energy: 0.6552423864321794

minimum gb energy = 0.6543257434782479 eV
minimum distance =  2.64412005158741 Angstroms
sigma value = 15


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

Energy: 0.7061112509955227
Energy: 0.721278290343418
Energy: 0.7213729435403666
Energy: 0.7061112509955227
Energy: 0.7212782880150638
Energy: 0.7213729431162738
Energy: 0.7061112509955227
Energy: 0.7212782865365466
Energy: 0.7213729437086652
Energy: 0.7061112509955227
Energy: 0.7854008659993628
Energy: 0.65438446286791
Energy: 0.6610770028441092
Energy: 0.7854475403886202
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Energy: 0.6610770028441092
Energy: 0.7854249028627477
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Energy: 0.7854450970800697
Energy: 0.6712757625319798
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Energy: 0.7883316864243913
Energy: 0.6712757625319798
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Energy: 0.6659120409661478
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Energy: 0.7016725209350538
Energy: 0.691910415355714
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Energy: 0.6919009651057022
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Energy: 0.6569276330267827
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Energy: 0.6494578828792877
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Energy: 0.7773948298702321
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Energy: 0.663764662292454
Energy: 0.777394829871883
Energy: 0.6302318424382368
Energy: 0.8003659608892963
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Energy: 0.8003659608892963
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Energy: 0.6664200753447288
Energy: 0.6803552627474547
Energy: 0.6301353206961865
Energy: 0.7074718715202842
Energy: 0.6803552627474547
Energy: 0.6301353206945356
Energy: 0.7074718715334912
Energy: 0.6803552627474547
Energy: 0.6301353206961865
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Energy: 0.6803552627474547
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Energy: 0.7206592244024134
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Energy: 0.76198452805423
Energy: 0.6323996380258026
Energy: 0.6372416196043388
Energy: 0.9118298283001111
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Energy: 0.6369438754517525
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Energy: 0.6615920194976944
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Energy: 0.6788525175507845
Energy: 0.6866161707189189
Energy: 0.6656445539268994
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Energy: 0.6656445539268994
Energy: 0.6788525175507845
Energy: 0.6866161707766691
Energy: 0.6656445539285502
Energy: 0.6788525175507845
Energy: 0.7470727093755566
Energy: 0.7085110730786217
Energy: 0.661053018006474
Energy: 0.7470727093755566
Energy: 0.7085110730786217
Energy: 0.661053018006474
Energy: 0.7470727093755566
Energy: 0.7085110730786217
Energy: 0.661053018006474
Energy: 0.7470727093755566
Energy: 0.630178874185298
Energy: 0.7356302348098341
Energy: 0.6935742698885913
Energy: 0.630178874185298
Energy: 0.7356296624061054
Energy: 0.6935742698885913
Energy: 0.630178874185298
Energy: 0.7356274262026785
Energy: 0.6935742698885913
Energy: 0.630178874185298
Energy: 0.7511305737475958
Energy: 0.6724545361528368
Energy: 0.6931287219032803
Energy: 0.7511305737475958
Energy: 0.6724545361528368
Energy: 0.6931287219032803
Energy: 0.7511305737475958
Energy: 0.6724545361528368
Energy: 0.6931287219032803
Energy: 0.7511305737475958
Energy: 0.667840998058669
Energy: 0.7361581082387483
Energy: 0.7462429968761157
Energy: 0.6678409980570182
Energy: 0.7361581082387483
Energy: 0.7462429968761157
Energy: 0.667840998058669
Energy: 0.7361581082387483
Energy: 0.7462429968744648
Energy: 0.667840998058669
Energy: 0.8021064355441082
Energy: 0.6306552893303741
Energy: 0.7292001849420909
Energy: 0.8021064355441082
Energy: 0.630655289332025
Energy: 0.7292001849420909
Energy: 0.8021064355441082
Energy: 0.6306552893303741
Energy: 0.72920018494044
Energy: 0.8021064355457591
Energy: 0.65368263266798
Energy: 0.6360927338255963
Energy: 0.6736577453950827
Energy: 0.65368263266798
Energy: 0.6360927338255963
Energy: 0.6736577453967336
Energy: 0.65368263266798
Energy: 0.6360927338255963
Energy: 0.6736577453983844
Energy: 0.65368263266798
Energy: 0.7704293519535528
Energy: 0.7612235754192002
Energy: 0.6326292386500616
Energy: 0.7704293519552036
Energy: 0.7612235754192002
Energy: 0.6326292386500616
Energy: 0.7704293519535528
Energy: 0.7612235754192002
Energy: 0.6326292386500616
Energy: 0.7704293519552036
Energy: 0.635228571617169
Energy: 0.6989529187332019
Energy: 0.7919534557279434
Energy: 0.635228571617169
Energy: 0.6989529187332019
Energy: 0.7919534557279434
Energy: 0.635228571617169
Energy: 0.6989529187332019
Energy: 0.7919534557279434
Energy: 0.635228571617169
Energy: 0.723500941911628
Energy: 0.688981917628692
Energy: 0.6686610094249004
Energy: 0.723500941911628
Energy: 0.6889869938677462
Energy: 0.6686610094249004
Energy: 0.723500941911628
Energy: 0.6889831639689947
Energy: 0.6686610094249004
Energy: 0.723500941911628
Energy: 0.7144972963555991
Energy: 0.7220191965307573
Energy: 0.7260210329946282
Energy: 0.7144972963555991
Energy: 0.7220191965307573
Energy: 0.7260210329863738
Energy: 0.7144972963539483
Energy: 0.7220191965307573
Energy: 0.7260210329946282
Energy: 0.7144972963555991
Energy: 0.6364818477534389
Energy: 0.8069546387095301
Energy: 0.7336706137570485
Energy: 0.6364818477534389
Energy: 0.8069546387062284
Energy: 0.7336706137570485
Energy: 0.6364818477534389
Energy: 0.8069546387078792
Energy: 0.7336706137570485
Energy: 0.6364818477534389
Energy: 0.7683253043810128
Energy: 0.6336319561355312
Energy: 0.7727475990004327
Energy: 0.7683253043810128
Energy: 0.6336319561355312
Energy: 0.7727475990020836
Energy: 0.7683253043810128
Energy: 0.6336319561355312
Energy: 0.7727475990004327
Energy: 0.7683253043793619
Energy: 0.6818409354626181
Energy: 0.7786549434302792
Energy: 0.6388118872814956
Energy: 0.6818409354626181
Energy: 0.7786549434302792
Energy: 0.6388118872814956
Energy: 0.6818409354626181
Energy: 0.7786549434302792
Energy: 0.6388118872814956
Energy: 0.6818409354609672
Energy: 0.7351318397576811
Energy: 0.7697026248030662
Energy: 0.636839486425605
Energy: 0.7351194028492835
Energy: 0.7697026248030662
Energy: 0.6368394864272557
Energy: 0.735130267781414
Energy: 0.7697026248030662
Energy: 0.636839486425605
Energy: 0.7351298018344689
Energy: 0.720554778064017
Energy: 0.7475569027212595
Energy: 0.7506621909672792
Energy: 0.720554778064017
Energy: 0.7475569027212595
Energy: 0.7506621909672792
Energy: 0.720554778064017
Energy: 0.7475569027212595
Energy: 0.7506621909672792
Energy: 0.720554778064017
Energy: 0.829697966315827
Energy: 0.7225107605380267
Energy: 0.6300918122854623
Energy: 0.829697966315827
Energy: 0.7225107605380267
Energy: 0.6300918122838115
Energy: 0.8296979663141762
Energy: 0.7225107605396774
Energy: 0.6300918122838115
Energy: 0.829697966315827
Energy: 0.6335422481962808
Energy: 0.685419629514925
Energy: 0.6649099689707579
Energy: 0.6335422481962808
Energy: 0.685419629514925
Energy: 0.6649099689707579
Energy: 0.6335422481962808
Energy: 0.685419629514925
Energy: 0.6649099689707579
Energy: 0.6335422481962808
Energy: 0.6860889117760358
Energy: 0.6648791082689178
Energy: 0.6837656807062592
Energy: 0.6860890199984976
Energy: 0.6648791082689178
Energy: 0.6837656807062592
Energy: 0.6860884996152357
Energy: 0.6648791082689178
Energy: 0.6837656807062592
Energy: 0.6860885686288356
Energy: 0.7777414239237775
Energy: 0.6773420354404015
Energy: 0.7331686966538874
Energy: 0.7777414239221268
Energy: 0.6773420354404015
Energy: 0.7331686966522366
Energy: 0.7777414239237775
Energy: 0.6773420354404015
Energy: 0.7331686966538874
Energy: 0.7777414239237775
Energy: 0.6598512122145622
Energy: 0.917417769828325
Energy: 0.6598315760761485
Energy: 0.6598512122145622
Energy: 0.917417769828325
Energy: 0.6598315760761485
Energy: 0.6598512122145622
Energy: 0.917417769828325
Energy: 0.6598315760761485
Energy: 0.6598512122145622
Energy: 0.7054436722495181
Energy: 0.6345254629435741
Energy: 0.8200081080841142
Energy: 0.7054436664476181
Energy: 0.6345254629435741
Energy: 0.8200081080841142
Energy: 0.7054436576622998
Energy: 0.6345254629435741
Energy: 0.8200081080841142
Energy: 0.7054436566903888
Energy: 0.6829841705077985
Energy: 0.6593891877401835
Energy: 0.7412645166753967
Energy: 0.6829841705077985
Energy: 0.6593891877401835
Energy: 0.7412645166753967
Energy: 0.6829841705077985
Energy: 0.6593891877401835
Energy: 0.7412645166753967
Energy: 0.6829841705077985
Energy: 0.6991506528386897
Energy: 0.6550482504497455
Energy: 0.6369314605875432
Energy: 0.6991489505710693
Energy: 0.6550482504497455
Energy: 0.6369314605875432
Energy: 0.6715220140227858
Energy: 0.6550482504480947
Energy: 0.6369314605875432
Energy: 0.6715939119583791
Energy: 0.63726052816525
Energy: 0.6507280009838353
Energy: 0.7911492758698576
Energy: 0.6372605281669009
Energy: 0.650728000988788
Energy: 0.7911492758682067
Energy: 0.63726052816525
Energy: 0.650728000988788
Energy: 0.7911492758698576
Energy: 0.6372605281669009
Energy: 0.7148947652151423
Energy: 0.7258219263719873
Energy: 0.720045998587063
Energy: 0.7148947652151423
Energy: 0.7258219263719873
Energy: 0.720045998587063
Energy: 0.7148947652151423
Energy: 0.7258219263719873
Energy: 0.720045998587063
Energy: 0.7148947652167932

minimum gb energy = 0.6300918122838115 eV
minimum distance =  2.50561076516866 Angstroms
sigma value = 437


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

Energy: 0.6432822587702417
Energy: 0.6058258337358619
Energy: 0.6056942941756263
Energy: 0.6432822587708432
Energy: 0.6058258337358619
Energy: 0.6056942941756263
Energy: 0.6432822587702417
Energy: 0.6058258337358619
Energy: 0.6056942941756263
Energy: 0.6432822587708432
Energy: 0.7307357321120314
Energy: 0.6245268735688846
Energy: 0.5924879407268087
Energy: 0.730747509316014
Energy: 0.6245268735688846
Energy: 0.59248794072741
Energy: 0.7307501171622343
Energy: 0.6245268735688846
Energy: 0.5924879407268087
Energy: 0.7307518925899037
Energy: 0.7293558942027109
Energy: 0.6364762686256312
Energy: 0.7464276147564285
Energy: 0.7293558942039138
Energy: 0.6364762686262325
Energy: 0.7464276153305578
Energy: 0.7293558942027109
Energy: 0.6364762686250297
Energy: 0.7464276148459884
Energy: 0.7293558942033123
Energy: 0.6761402893496695
Energy: 0.7893352670676949
Energy: 0.6444557235791043
Energy: 0.676140289349068
Energy: 0.7893352668723088
Energy: 0.6444557235797058
Energy: 0.6761402893496695
Energy: 0.7893352671049841
Energy: 0.6444557235791043
Energy: 0.676140289349068
Energy: 0.7071436445332901
Energy: 0.5892366551152045
Energy: 0.7098747631513769
Energy: 0.7071436445332901
Energy: 0.5892366551146029
Energy: 0.709874763238531
Energy: 0.7071436445332901
Energy: 0.5892366551164072
Energy: 0.7098747632313138
Energy: 0.7071436445332901
Energy: 0.6350629044729794
Energy: 0.7750708931196525
Energy: 0.6154451929867256
Energy: 0.6350629044729794
Energy: 0.7750708931196525
Energy: 0.6154451929867256
Energy: 0.6350629044729794
Energy: 0.7750708931196525
Energy: 0.6154451929867256
Energy: 0.6350629044735808
Energy: 0.7110133426198141
Energy: 0.61014757270898
Energy: 0.6475656589957121
Energy: 0.7112409832548071
Energy: 0.6101475727095814
Energy: 0.6475656589963136
Energy: 0.7110141573897335
Energy: 0.61014757270898
Energy: 0.6475656589957121
Energy: 0.7809141974258261
Energy: 0.6634026587654624
Energy: 0.7484465862438087
Energy: 0.6880455478131071
Energy: 0.6634026587654624
Energy: 0.7484465862143656
Energy: 0.6880455478293459
Energy: 0.663402658766064
Energy: 0.7484465862912951
Energy: 0.6880455478155127
Energy: 0.6634026587654624
Energy: 0.9582311504260006
Energy: 0.6906683231904972
Energy: 0.6023162769301594
Energy: 0.9582311504260006
Energy: 0.6906683231910986
Energy: 0.6023162769301594
Energy: 0.9582311504260006
Energy: 0.6906683231904972
Energy: 0.6023162769301594
Energy: 0.9582311504260006
Energy: 0.6904047084424907
Energy: 0.671709029950913
Energy: 0.6679221772055394
Energy: 0.6904047084424907
Energy: 0.671709029209064
Energy: 0.6679262411338621
Energy: 0.6904047084424907
Energy: 0.6717090297344765
Energy: 0.6679262471750547
Energy: 0.6904047084418893
Energy: 0.6747001002657195
Energy: 0.7206418354643225
Energy: 0.6382674585030239
Energy: 0.6747043371557546
Energy: 0.7206418354643225
Energy: 0.6382674585024224
Energy: 0.6747001893469567
Energy: 0.7206418354649239
Energy: 0.6382674585024224
Energy: 0.6747096188593925
Energy: 0.664450418766823
Energy: 0.6134162947664386
Energy: 0.5922402781343016
Energy: 0.664450418766823
Energy: 0.6134162947664386
Energy: 0.5922212480823047
Energy: 0.6644504187704317
Energy: 0.6134162947664386
Energy: 0.5922460351367931
Energy: 0.6644504187680259
Energy: 0.6022879340263834
Energy: 0.6282619915598896
Energy: 0.6021943795948349
Energy: 0.6022879340257818
Energy: 0.6282619915604911
Energy: 0.6021943795942336
Energy: 0.6022879340263834
Energy: 0.6282619915616939
Energy: 0.6021943795954363
Energy: 0.6022879340251804
Energy: 0.7169030552312683
Energy: 0.5924333502807562
Energy: 0.7531694911886981
Energy: 0.716903055233674
Energy: 0.5924333502813577
Energy: 0.7531694911892995
Energy: 0.7169030552318697
Energy: 0.5924333502807562
Energy: 0.7531694911886981
Energy: 0.7169030552324711

minimum gb energy = 0.5892366551146029 eV
minimum distance =  2.5760057930652 Angstroms
sigma value = 33