Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Mo__MO_230319944007_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150138273835182
cohesive_energy=6.810539053672873
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.019624288896650455
Energy: 0.020874087122778294
Energy: 0.02160245074907016
Energy: 3.0906332175908178
Energy: 0.021602450750973768
Energy: 0.020874087122778294
Energy: 0.019624288896650455
Energy: 0.02087408712468191
Energy: 0.021602450750973768
Energy: 3.0906332175851063
Energy: 1.4576411956933302
Energy: 0.020525815627168435
Energy: 0.020178199305905455
Energy: 1.42239837042075
Energy: 0.020178199305905455
Energy: 0.020525815627168435
Energy: 1.4576411956933302
Energy: 0.020525815627168435
Energy: 0.020178199305905455
Energy: 1.42239837042075
Energy: 0.019624288896650455
Energy: 0.02087408712468191
Energy: 0.02160245074907016
Energy: 3.09063321758701
Energy: 0.02160245074907016
Energy: 0.020874087122778294
Energy: 0.019624288896650455
Energy: 0.020874087122778294
Energy: 0.02160245074907016
Energy: 3.0906332175984317
Energy: 1.4576411956933302
Energy: 0.020525815627168435
Energy: 0.020178199305905455
Energy: 1.42239837042075
Energy: 0.020178199305905455
Energy: 0.020525815627168435
Energy: 1.4576411956933302
Energy: 0.020525815627168435
Energy: 0.020178199305905455
Energy: 1.42239837042075
Energy: 0.019624288896650455
Energy: 0.020874087122778294
Energy: 0.02160245074907016
Energy: 2.9017687085305894
Energy: 0.021602450750973768
Energy: 0.02087408712468191
Energy: 0.019624288896650455
Energy: 0.02087408712468191
Energy: 0.021602450750973768
Energy: 2.9017687085305894
Energy: 1.4576411956933302
Energy: 0.020525815627168435
Energy: 0.020178199305905455
Energy: 1.42239837042075
Energy: 0.020178199305905455
Energy: 0.020525815627168435
Energy: 1.4576411956933302
Energy: 0.020525815627168435
Energy: 0.020178199305905455
Energy: 1.42239837042075
Energy: 0.019624288896650455
Energy: 0.02087408712468191
Energy: 0.02160245074907016
Energy: 2.343972551161879
Energy: 0.02160245074907016
Energy: 0.020874087122778294
Energy: 0.019624288896650455
Energy: 0.020874087122778294
Energy: 0.02160245074907016
Energy: 2.343972551161879

minimum gb energy = 0.019624288896650455 eV
minimum distance =  2.54442005934316 Angstroms
sigma value = 3


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

Energy: 2.4601360792188656
Energy: 2.2169860712493037
Energy: 2.235363412746721
Energy: 2.3400856592186727
Energy: 2.235530465785219
Energy: 2.2168697135262723
Energy: 2.4601360792193314
Energy: 2.2169860712488374
Energy: 2.2353634127481197
Energy: 2.3017696974739126
Energy: 2.3601996328827335
Energy: 2.2178396076153173
Energy: 2.346883793002068
Energy: 2.460578773327963
Energy: 2.25148161595498
Energy: 2.184120311419379
Energy: 2.3601996328832
Energy: 2.2178396076143843
Energy: 2.3468837930006696
Energy: 2.4605787733265636
Energy: 2.3064400974792028
Energy: 2.210650950217633
Energy: 2.2426637821757374
Energy: 2.236972092097739
Energy: 2.212082220639527
Energy: 2.121638486406903
Energy: 2.306440097481068
Energy: 2.1759606722036406
Energy: 2.2426637821748048
Energy: 2.2369720920982052
Energy: 2.2053240346025955
Energy: 2.193032964829783
Energy: 2.171537060132661
Energy: 2.14866399396051
Energy: 2.169993036921021
Energy: 2.192406178025953
Energy: 2.2053240346039944
Energy: 2.193032964827452
Energy: 2.171537060133594
Energy: 2.148663993963308
Energy: 2.1952780318393113
Energy: 2.1912992126080835
Energy: 2.1919058921743373
Energy: 2.178452970763821
Energy: 2.1873349764706798
Energy: 2.046356258207277
Energy: 2.1952780318397775
Energy: 2.1912992126066846
Energy: 2.191905892174803
Energy: 2.1784529707628884
Energy: 2.074286089853412
Energy: 2.1650852104417697
Energy: 2.190404708974157
Energy: 2.185355293623655
Energy: 2.1146379955981587
Energy: 2.2286835459687455
Energy: 2.0742860898520132
Energy: 2.1650852104427023
Energy: 2.190404708973691
Energy: 2.1853552936250535
Energy: 2.1399780664044665
Energy: 2.171199989905961
Energy: 2.1592358956035156
Energy: 2.239790726908762
Energy: 2.195746482922396
Energy: 2.1758387973742024
Energy: 2.139978066402135
Energy: 2.1711999899082923
Energy: 2.1592358956039814
Energy: 2.2397907269092276
Energy: 2.1877644876676063
Energy: 2.2948071391541722
Energy: 2.1571507588445322
Energy: 2.16644355092826
Energy: 2.1614246551160488
Energy: 2.318600284555511
Energy: 2.187764487670871
Energy: 2.2948071391541722
Energy: 2.1571507588436
Energy: 2.16644355092826
Energy: 2.2176681566886174
Energy: 2.3469378808040835
Energy: 2.5264768708015723
Energy: 2.3755711445838825
Energy: 2.279687922589655
Energy: 2.3787043545020783
Energy: 2.2176681566900167
Energy: 2.3469378808059482
Energy: 2.526476870799241
Energy: 2.375571144582018
Energy: 2.21123765923887
Energy: 2.212150848558654
Energy: 2.3267598440987682
Energy: 2.3154394148865047
Energy: 2.4771051719493316
Energy: 2.428328655029281
Energy: 2.216503779188049
Energy: 2.2121508485600527
Energy: 2.3267598440969035
Energy: 2.315439414886039
Energy: 2.18354322268809
Energy: 2.2516188354081805
Energy: 2.208710609329554
Energy: 2.2394713415934957
Energy: 2.197170939569725
Energy: 2.1908375973271825
Energy: 2.183543222689023
Energy: 2.2516188354091127
Energy: 2.2087106093309528
Energy: 2.239471341593962
Energy: 2.1464603643218405
Energy: 2.117674256844669
Energy: 2.2017143310692515
Energy: 2.162106963384895
Energy: 2.0448353466555402
Energy: 2.228762907559244
Energy: 2.1464603643218405
Energy: 2.1176742568428044
Energy: 2.201714331067852
Energy: 2.162106963385361
Energy: 2.2159579382551247
Energy: 2.170208398537773
Energy: 2.2475720168148703
Energy: 2.1782192031360084
Energy: 2.212047272695201
Energy: 2.1957842832749828
Energy: 2.2159579382560577
Energy: 2.17020839853824
Energy: 2.247572016813005
Energy: 2.1782192031346095
Energy: 2.175231834132359
Energy: 2.247572016815337
Energy: 2.1702563402431143
Energy: 2.215978073032099
Energy: 2.195788407763693
Energy: 2.212090933596174
Energy: 2.175231834135623
Energy: 2.247572016814404
Energy: 2.1702563402440473
Energy: 2.215978073029301
Energy: 2.1616989651295317
Energy: 2.2017192009586144
Energy: 2.117888798878405
Energy: 2.146735766747348
Energy: 2.2290253059714606
Energy: 2.04480996104715
Energy: 2.1616989651285987
Energy: 2.2017192009581477
Energy: 2.1178887988760735
Energy: 2.146735766746882
Energy: 2.2393785347819977
Energy: 2.192063579707819
Energy: 2.251462502973076
Energy: 2.183726339128964
Energy: 2.1898370949520425
Energy: 2.197097184557202
Energy: 2.2393785347819977
Energy: 2.192063579708285
Energy: 2.2514625029772732
Energy: 2.18372633912943
Energy: 2.315407716142683
Energy: 2.3264872203282705
Energy: 2.2128677646745314
Energy: 2.2158893038632845
Energy: 2.4285789943731113
Energy: 2.4740449293923055
Energy: 2.315407716142217
Energy: 2.3264872203287363
Energy: 2.212867764673599
Energy: 2.215889303866082
Energy: 2.374548568000931
Energy: 2.5686207678079938
Energy: 2.3467818020070124
Energy: 2.2175861467374776
Energy: 2.3786838675095336
Energy: 2.279801909824001
Energy: 2.3745485680023295
Energy: 2.5686207678098594
Energy: 2.3467818020079454
Energy: 2.2175861467370113
Energy: 2.166530351575117
Energy: 2.0741284481472304
Energy: 2.294867714595607
Energy: 2.138087320014012
Energy: 2.3182997092181976
Energy: 2.161315656469315
Energy: 2.166530351575117
Energy: 2.0741284481458315
Energy: 2.294867714599337
Energy: 2.1380873200154107
Energy: 2.239754670323423
Energy: 2.1593067076175863
Energy: 2.1715062922281896
Energy: 2.1408731890131314
Energy: 2.1765100629217065
Energy: 2.195613288120585
Energy: 2.239754670322957
Energy: 2.1593067076199177
Energy: 2.171506292229122
Energy: 2.140873189011266
Energy: 2.1853356876752605
Energy: 2.1901143386446176
Energy: 2.165041801905058
Energy: 2.063162956427855
Energy: 2.228673017005256
Energy: 2.200720504021475
Energy: 2.1853356876761927
Energy: 2.190114338645084
Energy: 2.165041801903193
Energy: 2.0451624818605176
Energy: 2.178527526367956
Energy: 2.1921781661491297
Energy: 2.1913486958676445
Energy: 2.194963518401236
Energy: 2.046356258210075
Energy: 2.1874824259853543
Energy: 2.1785275263660906
Energy: 2.1921781661458657
Energy: 2.1913486958667114
Energy: 2.1949635184040344
Energy: 2.1471995209148704
Energy: 2.171206035106798
Energy: 2.1927964014884047
Energy: 2.208955109862161
Energy: 2.192405129553313
Energy: 2.1699266143632223
Energy: 2.147199520916269
Energy: 2.171206035106798
Energy: 2.1927964014888714
Energy: 2.2089551098616944
Energy: 2.2369720920972727
Energy: 2.242260678520419
Energy: 2.1495616767345647
Energy: 2.30632439591111
Energy: 2.1474487987362254
Energy: 2.2117037502398875
Energy: 2.236972092096807
Energy: 2.2422606785208847
Energy: 2.1176467928156915
Energy: 2.306324395910644
Energy: 2.460463758594613
Energy: 2.3475207297262295
Energy: 2.2179455663266747
Energy: 2.361351621104877
Energy: 2.184168219141815
Energy: 2.2517815145961784
Energy: 2.460463758594613
Energy: 2.3475207297276284
Energy: 2.217945566323876
Energy: 2.36135162110581
Energy: 2.3024990017305575
Energy: 2.235530465781955
Energy: 2.2168697135253397
Energy: 2.460136079216068
Energy: 2.216986071247905
Energy: 2.235363412748586
Energy: 2.302499001731956
Energy: 2.235530465781489
Energy: 2.2168697135267386
Energy: 2.4601360792188656
Energy: 2.460578773331693
Energy: 2.251481615952649
Energy: 2.1841203114151826
Energy: 2.360199632879003
Energy: 2.217839607612519
Energy: 2.3468837929960067
Energy: 2.4605787733302944
Energy: 2.2514816159535815
Energy: 2.1841203114142496
Energy: 2.360199632880402
Energy: 2.2369720920963396
Energy: 2.212082220633932
Energy: 2.1216384864045716
Energy: 2.306440097474073
Energy: 2.2106509502167
Energy: 2.2426637821724733
Energy: 2.2369720920963396
Energy: 2.212082220633466
Energy: 2.089819006303625
Energy: 2.306440097475473
Energy: 2.1486639939609766
Energy: 2.1699930369149594
Energy: 2.192406178024554
Energy: 2.2053240346053515
Energy: 2.193032964835844
Energy: 2.171537060130796
Energy: 2.1486639939609766
Energy: 2.169993036915426
Energy: 2.1924061780264195
Energy: 2.2053240346062837

minimum gb energy = 2.04480996104715 eV
minimum distance =  2.42666358212813 Angstroms
sigma value = 75


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

Energy: 2.710616965942301
Energy: 2.459044058765022
Energy: 2.5509568526400006
Energy: 2.2587890096986043
Energy: 2.5172029069330977
Energy: 2.529400189985909
Energy: 2.710616965942301
Energy: 2.4590440587672977
Energy: 2.550956852637725
Energy: 2.258789009696329
Energy: 2.3933878701105153
Energy: 2.1704557649156704
Energy: 2.419121367032112
Energy: 2.530954108575742
Energy: 2.390167009352237
Energy: 2.431058904291599
Energy: 2.39338787010824
Energy: 2.152156364717743
Energy: 2.419121367029837
Energy: 2.521813032795237
Energy: 2.2770989230975958
Energy: 2.1974036046955905
Energy: 2.2522555430357327
Energy: 2.2258197784533893
Energy: 2.320000398480245
Energy: 2.2631902426146318
Energy: 2.2770989230953207
Energy: 2.1974036046955905
Energy: 2.2522555430379665
Energy: 2.225819778455665
Energy: 2.214721256257857
Energy: 2.2602059901600517
Energy: 2.2533113628710084
Energy: 2.246801881370464
Energy: 2.2263576012615265
Energy: 2.253603181729879
Energy: 2.214721256257857
Energy: 2.260205990155501
Energy: 2.253311362866458
Energy: 2.2468018813727397
Energy: 2.2244501608663296
Energy: 2.2402309090859958
Energy: 2.40455864470769
Energy: 2.392233627366718
Energy: 2.1325021122841976
Energy: 2.242727141271983
Energy: 2.224450160868605
Energy: 2.2402309090837207
Energy: 2.40455864470769
Energy: 2.3922336273689933
Energy: 2.4751700945207706
Energy: 2.49061445719171
Energy: 2.3627911828010815
Energy: 2.391415655266415
Energy: 2.4142690292688784
Energy: 2.4223302913148927
Energy: 2.4751700945207706
Energy: 2.4906144571848845
Energy: 2.362791182805632
Energy: 2.3914156552732413
Energy: 2.498952875582155
Energy: 2.4387057232250355
Energy: 2.588457930191843
Energy: 2.4182136707072885
Energy: 2.2724291442765328
Energy: 2.445355593391156
Energy: 2.498952875582155
Energy: 2.4387057232273106
Energy: 2.5884579301941186
Energy: 2.418213670705013
Energy: 2.4265437753870476
Energy: 2.4866779448623406
Energy: 2.1971558594269576
Energy: 2.4188319443016826
Energy: 2.497145560579963
Energy: 2.389880873361853
Energy: 2.426543775377947
Energy: 2.48667794485779
Energy: 2.1971558594269576
Energy: 2.418831944303958
Energy: 2.261565126467679
Energy: 2.2399911707936035
Energy: 2.197861196975554
Energy: 2.2535694474698973
Energy: 2.2260008335253003
Energy: 2.328847462380913
Energy: 2.2615651264699546
Energy: 2.239991170795879
Energy: 2.1978611969778292
Energy: 2.253569447465388
Energy: 2.254719978891575
Energy: 2.3366182024585243
Energy: 2.1930109502653083
Energy: 2.253614970475983
Energy: 2.2303717768003573
Energy: 2.2262230631761764
Energy: 2.2547199788847494
Energy: 2.3366182024585243
Energy: 2.1930109502698585
Energy: 2.2536149704828086
Energy: 2.364137843159805
Energy: 2.2626222332408465
Energy: 2.2409207922755363
Energy: 2.423649684726496
Energy: 2.390015935798824
Energy: 2.243021668951097
Energy: 2.364137843159805
Energy: 2.262622233243122
Energy: 2.2409207922709857
Energy: 2.423649684726496
Energy: 2.481123354695213
Energy: 2.5081334731062603
Energy: 2.489128312083906
Energy: 2.3454224629690104
Energy: 2.3447222530882845
Energy: 2.3433189343587886
Energy: 2.481123354697488
Energy: 2.5081334730994347
Energy: 2.489128312090731
Energy: 2.3454224629644598
Energy: 2.4015078439097564
Energy: 2.5018524946020833
Energy: 2.444255907465225
Energy: 2.739917385550898
Energy: 2.4195982985302167
Energy: 2.5675690412970438
Energy: 2.401507843907481
Energy: 2.5018524946020833
Energy: 2.444255907465225
Energy: 2.7399173855486225
Energy: 2.4674342271317653
Energy: 2.4114906888258454
Energy: 2.39406996984126
Energy: 2.3044061305044354
Energy: 2.4614621798850016
Energy: 2.3589563510713405
Energy: 2.4674342271340404
Energy: 2.4114906888281205
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Energy: 2.3044061305044354
Energy: 2.5193155763779047
Energy: 2.2820948060080606
Energy: 2.2406421935529046
Energy: 2.31460283270209
Energy: 2.253140220777132
Energy: 2.225808033684324
Energy: 2.5193155763756296
Energy: 2.28209480600351
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Energy: 2.3146028326998156
Energy: 2.2256082187417316
Energy: 2.2535423978869047
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Energy: 2.2403835044079643
Energy: 2.212186269228005
Energy: 2.19382483121022
Energy: 2.225608218744007
Energy: 2.2535423978846296
Energy: 2.3185431718322573
Energy: 2.2403835044079643
Energy: 2.364232362535745
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Energy: 2.3014213011245457
Energy: 2.240614913886998
Energy: 2.4113879259655597
Energy: 2.3900642695982617
Energy: 2.36423236253347
Energy: 2.3633712321556275
Energy: 2.3014213011268208
Energy: 2.2406149138938236
Energy: 2.3446413722995976
Energy: 2.4222083128643135
Energy: 2.567960421484167
Energy: 2.509475830176562
Energy: 2.171308853770205
Energy: 2.271488660769396
Energy: 2.3446413722995976
Energy: 2.4222083128734146
Energy: 2.567960421484167
Energy: 2.5094758301742868
Energy: 2.4009207681649896
Energy: 2.382615026951788
Energy: 2.192774686310617
Energy: 2.5082160134780493
Energy: 2.581476695390541
Energy: 2.422250381948459
Energy: 2.4009207681581644
Energy: 2.382615026942687
Energy: 2.1927746863083417
Energy: 2.508216013480325
Energy: 2.3640196952019727
Energy: 2.3906114640714224
Energy: 2.411527187434567
Energy: 2.2405459561338894
Energy: 2.3014213011313713
Energy: 2.65406701787437
Energy: 2.3640196952019727
Energy: 2.3906114640714224
Energy: 2.4115271874368425
Energy: 2.2405459561316143
Energy: 2.2268740930948296
Energy: 2.193824831212495
Energy: 2.238144170172933
Energy: 2.2406243975790168
Energy: 2.3185431718344907
Energy: 2.2537039206187877
Energy: 2.2268740930993802
Energy: 2.193824831212495
Energy: 2.238144170170658
Energy: 2.2406243975835674
Energy: 2.223227263682053
Energy: 2.2255389537520927
Energy: 2.253245994821137
Energy: 2.31460283270209
Energy: 2.240523275571167
Energy: 2.275725997046336
Energy: 2.2232272636888792
Energy: 2.225538953754368
Energy: 2.253245994821137
Energy: 2.3146028326929895
Energy: 2.467544391330615
Energy: 2.3759598241622366
Energy: 2.398402592903202
Energy: 2.304406130508986
Energy: 2.427816796995725
Energy: 2.4264359943079845
Energy: 2.4675443913328907
Energy: 2.375959824157686
Energy: 2.398402592903202
Energy: 2.304406130508986
Energy: 2.300394625852461
Energy: 2.138249317114273
Energy: 2.4192089027461288
Energy: 2.6125113250333736
Energy: 2.4442752343228276
Energy: 2.1852078599518028
Energy: 2.3003946258501853
Energy: 2.204681447326313
Energy: 2.419208902741578
Energy: 2.6125113250356486
Energy: 2.4809490691067415
Energy: 2.4020658495915077
Energy: 2.392613189468766
Energy: 2.5038674657385074
Energy: 2.443987791284212
Energy: 2.5799179207807748
Energy: 2.480949069104466
Energy: 2.4020658495937828
Energy: 2.392613189466491
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minimum gb energy = 2.1192400117771486 eV
minimum distance =  2.39208403889236 Angstroms
sigma value = 105


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

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Energy: 2.253442731961367
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Energy: 2.161464606365204
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Energy: 2.621353151634216
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Energy: 2.6104345237850537
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Energy: 2.372557359456226
Energy: 2.61043452378426
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Energy: 2.2655635640497884
Energy: 2.357646027844587
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Energy: 2.217123009654366
Energy: 2.311329113435221
Energy: 2.3780057198482507
Energy: 2.265563564049275
Energy: 2.3576460278435603
Energy: 2.2433187387590268
Energy: 2.1788889370448783
Energy: 2.265690716081906
Energy: 2.388325374694861
Energy: 2.158992838304074
Energy: 2.4201494323939836
Energy: 2.211307224891323
Energy: 2.1788889370456253
Energy: 2.2656907160808792
Energy: 2.388325374694348
Energy: 2.158992838300247
Energy: 2.1782036432323366
Energy: 2.337102539499887
Energy: 2.2916894533316916
Energy: 2.176143586853532
Energy: 2.182146356370616
Energy: 2.178637434922792
Energy: 2.1782036432315897
Energy: 2.3371025394981144
Energy: 2.291689453330152
Energy: 2.1761435868594594
Energy: 2.364397107023289
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Energy: 2.292278267662205
Energy: 2.3498279044493335
Energy: 2.2648048823179847
Energy: 2.4845915665146117
Energy: 2.3643971070707526
Energy: 2.2597772255841133
Energy: 2.2922782676596376
Energy: 2.3498279044490533

minimum gb energy = 2.1371467446720054 eV
minimum distance =  2.42403995260756 Angstroms
sigma value = 165


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

Energy: 2.207948186617357
Energy: 2.5244344267306826
Energy: 2.165362717087933
Energy: 2.195535324710453
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Energy: 2.134075529608265
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Energy: 2.0555702400823317
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Energy: 2.460616438330275
Energy: 2.2063576154236078
Energy: 2.1340755296091465
Energy: 2.0568561561963277
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Energy: 2.057106792276556
Energy: 2.3450427171243784
Energy: 2.228760269505156
Energy: 2.0568561561972087
Energy: 2.342511162245407
Energy: 2.4601197243504695
Energy: 2.057106792276556
Energy: 2.339966539274252
Energy: 2.166128571120256
Energy: 2.1336648386142363
Energy: 2.210807812669864
Energy: 2.056556467808882
Energy: 2.003676391996966
Energy: 2.339966539276014
Energy: 2.166128571120256
Energy: 2.1336648386142363
Energy: 2.210807812668983
Energy: 2.423067663265827
Energy: 2.165388327839327
Energy: 2.523854725973151
Energy: 2.207948186617357
Energy: 2.524434426729802
Energy: 2.1653627170861705
Energy: 2.423067663266708
Energy: 2.1653883278402075
Energy: 2.523854725973151
Energy: 2.207948186617357

minimum gb energy = 2.0035601973522263 eV
minimum distance =  2.45084812286702 Angstroms
sigma value = 41


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

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Energy: 2.2440628392252115
Energy: 1.8223104870080644
Energy: 2.092773615140507
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Energy: 2.258809061901401
Energy: 1.8810240409433743
Energy: 2.233605851787445
Energy: 2.2825083921997553
Energy: 2.168657272757778
Energy: 1.8807419727932202
Energy: 2.1588977648812415
Energy: 1.8219075510765568
Energy: 2.233605851787445
Energy: 2.2825083921983866
Energy: 2.16865727275094
Energy: 1.8807419727829633
Energy: 2.230866683753317
Energy: 2.5586513450185544
Energy: 2.218984508837773
Energy: 1.8221282439736346
Energy: 2.341103708297912
Energy: 1.822330746239852
Energy: 2.2308666837509548
Energy: 2.5586513450182435
Energy: 2.2189845088374005
Energy: 1.8221282439667965
Energy: 2.0175262544567927
Energy: 2.103738559670795
Energy: 2.2177221649050423
Energy: 1.8218917658372202
Energy: 1.9915201986035325
Energy: 1.8807525447055786
Energy: 2.0175262544567927
Energy: 2.10373855967353
Energy: 2.2177221649118803
Energy: 1.8218917658399554
Energy: 2.2611554110716003
Energy: 2.083680578521611
Energy: 2.0951434775571833
Energy: 2.2641997197081976
Energy: 1.8823521778612808
Energy: 1.882384701136637
Energy: 2.2611554110716003
Energy: 2.0836805785181918
Energy: 2.0951434775571833
Energy: 2.2641997197081976
Energy: 1.8219042591486874
Energy: 2.2328818838615145
Energy: 2.144178025165261
Energy: 1.90506721731539
Energy: 1.8807125299417886
Energy: 2.088926960131225
Energy: 1.8219042591404815
Energy: 2.232881883854676
Energy: 2.1441780251628986
Energy: 1.9050672173188088
Energy: 1.822156012370346
Energy: 2.280532427326241
Energy: 2.558656617676323
Energy: 2.1728412804914305
Energy: 1.8222853421458793
Energy: 2.3474911851046523
Energy: 1.8221560123707188
Energy: 2.2805324273289767
Energy: 2.5586566176674337
Energy: 2.172841280497212
Energy: 1.8808103045632465
Energy: 2.1792668350651727
Energy: 2.2616690086520057
Energy: 2.2176149414926685
Energy: 1.82175369793346
Energy: 2.1592128397320502
Energy: 1.8808103045700846
Energy: 2.1792668350617532
Energy: 2.2616690086520057
Energy: 2.2176149414926685
Energy: 1.8809422119049233
Energy: 2.25243215397568
Energy: 2.090950972317793
Energy: 2.076382482819744
Energy: 2.262301331993383
Energy: 1.8831415026443399
Energy: 1.8809422119015045
Energy: 2.2524321539722614
Energy: 2.090950972321212
Energy: 2.076382482819744
Energy: 2.078869194175759
Energy: 1.822130812984408
Energy: 2.2370846113819343
Energy: 1.9638708812602417
Energy: 1.859740814514194
Energy: 1.8862869159042623
Energy: 2.078869194175759
Energy: 1.8221308129796217
Energy: 2.2370846113853533
Energy: 1.9638708812636607
Energy: 2.3481947150539964
Energy: 1.8219117935230054
Energy: 2.2988147215992187
Energy: 2.538479919297355
Energy: 2.1687229855333237
Energy: 2.18620032932287
Energy: 2.348194715060834
Energy: 1.8219117935230054
Energy: 2.298814721589646
Energy: 2.5384799192962975
Energy: 2.174305323800619
Energy: 1.8809821360099657
Energy: 2.4218983447221167
Energy: 2.282958640769997
Energy: 2.1220164567760897
Energy: 1.8254898443710421
Energy: 2.174305323790362
Energy: 1.8809821359997088
Energy: 2.4218983447255362
Energy: 2.2829586407662052

minimum gb energy = 1.8185637711989304 eV
minimum distance =  2.44861193406257 Angstroms
sigma value = 185


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

Energy: 2.232378489092042
Energy: 1.9538571250537928
Energy: 1.8880865956164863
Energy: 2.7027005642662902
Energy: 2.0459148116912624
Energy: 2.174469218907951
Energy: 2.232378489093665
Energy: 1.953857125050952
Energy: 1.8880865956116162
Energy: 2.4166972404193405
Energy: 1.888414989255685
Energy: 1.887051055049426
Energy: 1.7834682535400241
Energy: 1.8883831929503425
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Energy: 2.0846615946783356
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Energy: 2.7057438544411694
Energy: 1.8356457049533268
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Energy: 1.8356743038673498
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Energy: 1.887697046339358
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Energy: 1.8876410290725474
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Energy: 1.8876410290762002
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Energy: 1.8363452070107908
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Energy: 2.0968012340965263
Energy: 1.8626221218927215
Energy: 1.8360446410881095
Energy: 1.9738489019945786
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Energy: 2.028476033012531
Energy: 1.8626221218939392
Energy: 1.8360446410877038
Energy: 1.810059623131205
Energy: 1.8872496817644737
Energy: 1.783323041418317
Energy: 2.7180551053615405
Energy: 2.1228907366740652
Energy: 2.511778351774087
Energy: 1.810059623133234
Energy: 1.8872496817632562
Energy: 1.7833230414142587
Energy: 2.7180551053574824
Energy: 1.7830425595404118
Energy: 1.886874537111465
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Energy: 2.70330735132381
Energy: 1.9890414297554075
Energy: 1.9071143820559282
Energy: 1.7830425595383828
Energy: 1.8868745371102473
Energy: 1.8358134345316957
Energy: 2.703307351322187
Energy: 2.519568239501198
Energy: 2.5956222597374174
Energy: 1.8356042589397925
Energy: 2.673424981200751
Energy: 1.9160638595522648
Energy: 1.8357717961714757
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Energy: 2.595622259732953
Energy: 1.83560425894101
Energy: 2.6734249812011566
Energy: 1.8886263122093476
Energy: 1.7834471733879906
Energy: 1.8874786856784778
Energy: 1.7476723492663817
Energy: 2.12393533268355
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Energy: 1.8886263122057316
Energy: 1.7834471733883963
Energy: 1.8874786856809127
Energy: 1.7476723492667876
Energy: 2.728122554086686
Energy: 2.046814603278372
Energy: 2.012935773307633
Energy: 2.12258266906981
Energy: 1.8065054971075314
Energy: 1.888086595609181
Energy: 2.692680674592393
Energy: 2.0468146032804015
Energy: 2.012935773308039
Energy: 2.1225826690718392
Energy: 1.8883831929499368
Energy: 1.8356329281570656
Energy: 2.123935332681927
Energy: 1.7476785489554936
Energy: 1.8870510550482082
Energy: 1.7834682535448945
Energy: 1.8883831929556187
Energy: 1.8356329281627475
Energy: 2.123935332680709
Energy: 1.7476785489498115
Energy: 2.520061920903573
Energy: 1.8357313655276575
Energy: 2.2002193057434334
Energy: 2.7057438544326833
Energy: 1.8355236909879842
Energy: 2.5956222597333585
Energy: 2.520061920902356
Energy: 1.8357313655252225
Energy: 2.2002193057381576
Energy: 2.7057438544371477
Energy: 1.783303443615023
Energy: 1.995101267705351
Energy: 1.9882396184498075
Energy: 2.633500446684362
Energy: 1.835686027704318
Energy: 1.8871307534208552
Energy: 1.7833034436109643
Energy: 1.9951012677021043
Energy: 1.9882396184441256
Energy: 2.6335004466811154
Energy: 1.8947006970843787
Energy: 2.2241686652592403
Energy: 2.1226751516677593
Energy: 2.708652630353996
Energy: 1.7833746960700394
Energy: 1.8876970463348937
Energy: 1.8947006970827551
Energy: 2.2241686652580226
Energy: 2.1226751516685707
Energy: 2.70865263035359
Energy: 1.8363452070132258
Energy: 2.0934698324380894
Energy: 1.9512447357218778
Energy: 1.8850165136891592
Energy: 1.8876410290753884
Energy: 2.0382460858111413
Energy: 1.8363452070144435
Energy: 2.093469832439713
Energy: 1.9512447357247191
Energy: 1.8191492522700676
Energy: 1.836044641084457
Energy: 1.9738489019901142
Energy: 1.8891840785643563
Energy: 1.8362656675372282
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Energy: 1.887655975417778
Energy: 1.8360446410913565
Energy: 1.9738489019949843
Energy: 1.889184078562327
Energy: 1.8362656675412867
Energy: 2.7180551053574824
Energy: 2.122890736670818
Energy: 2.51177835177084
Energy: 1.810059623130799
Energy: 1.886808026025121
Energy: 1.7833505366373452
Energy: 2.718055105361135
Energy: 2.122890736668789
Energy: 2.5117783517684047
Energy: 1.810059623133234
Energy: 2.703307351319752
Energy: 1.989041429757031
Energy: 1.9071143820563343
Energy: 1.7830425595391943
Energy: 1.8868745371122768
Energy: 1.835813434530478
Energy: 2.7033073513209698
Energy: 1.989041429754596
Energy: 1.9071143820555227
Energy: 1.7830425595396002
Energy: 2.6500966332396865
Energy: 1.9160638595518589
Energy: 1.8357180243924678
Energy: 2.5195682395044448
Energy: 2.5990261547339513
Energy: 1.8356042589393866
Energy: 2.6500966332388747
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Energy: 2.519568239503633
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Energy: 1.8355219442282442
Energy: 1.8884618089099343
Energy: 1.7832645944458216
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Energy: 1.8884618089074992
Energy: 2.232378489092853
Energy: 1.9538571250517636
Energy: 1.888086595617298
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Energy: 2.0459148116908565
Energy: 1.7551734610963587
Energy: 2.2323784890944767
Energy: 1.9538571250460817
Energy: 1.8880865956128337
Energy: 2.4166972404205587
Energy: 1.888414989257714
Energy: 1.8870510550482082
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Energy: 1.888414989255685
Energy: 1.887051055049426
Energy: 1.7834682535396187
Energy: 1.8883831929475017
Energy: 2.705743854441981
Energy: 1.8356457049549502
Energy: 2.599026154729929
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Energy: 2.000461395463662
Energy: 2.7057438544371477
Energy: 1.8356457049480506
Energy: 2.5990261547339513
Energy: 2.519979304779749
Energy: 2.6335004466835508
Energy: 1.8356743038677554
Energy: 1.8871713345301964
Energy: 1.7833017616807532
Energy: 1.9951012677012925
Energy: 1.9882396184518367
Energy: 2.633500446685174
Energy: 1.835674303875061
Energy: 1.8871713345301964
Energy: 1.7833017616815647
Energy: 2.7086526303515606
Energy: 1.783374696066387
Energy: 1.8876970463369227
Energy: 1.894700697083973
Energy: 2.224168665256399
Energy: 2.122675151672629
Energy: 2.7086526303548077
Energy: 1.7833746960647636
Energy: 1.887697046338952
Energy: 1.8947006970795086
Energy: 1.8191492522737203
Energy: 1.8876410290729535
Energy: 1.9744639297578768
Energy: 1.8363452070095732
Energy: 2.2427246661966644
Energy: 1.9512447357251248
Energy: 1.8191492522684445
Energy: 1.8876410290757943
Energy: 1.974463929759906
Energy: 1.8363452070103852
Energy: 1.8362698839191247
Energy: 2.2230647321128223
Energy: 1.862622121894345
Energy: 1.8360446410856746
Energy: 1.9738489019941725
Energy: 1.8891840785611094
Energy: 1.836269883920748
Energy: 2.223064732112416
Energy: 1.862622121894345
Energy: 1.8360446410864861
Energy: 1.810059623131205
Energy: 1.8872496817628504
Energy: 1.783323041415476
Energy: 2.7180551053639754
Energy: 2.1228907366740652
Energy: 2.5117783517769277
Energy: 1.810059623133234
Energy: 1.8872496817624445
Energy: 1.783323041413041
Energy: 2.7180551053595114
Energy: 1.783042559542441
Energy: 1.8868745371102473
Energy: 1.8358134345276371
Energy: 2.703307351320563
Energy: 1.9890414297566252
Energy: 1.9071143820555227
Energy: 1.7830425595391943
Energy: 1.8868745371102473
Energy: 1.8358134345329131
Energy: 2.7033073513209698
Energy: 2.5195682395028216
Energy: 2.5956222597374174
Energy: 1.8356042589414159
Energy: 2.6734249811995334
Energy: 1.916063859549018
Energy: 1.8357717961722873
Energy: 2.519568239499575
Energy: 2.595622259734576
Energy: 1.8356042589425965
Energy: 2.6734249812003457
Energy: 1.8886263122081666
Energy: 1.7834471733879906
Energy: 1.8874786856768542
Energy: 1.747672349263135
Energy: 2.1239353326815213
Energy: 1.8355579703875815
Energy: 1.8886263122053257
Energy: 1.7834471733879906
Energy: 1.8874786856801011
Energy: 1.7476723492647583

minimum gb energy = 1.747672349263135 eV
minimum distance =  2.48209974952384 Angstroms
sigma value = 33


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

Energy: 2.2595022610025217
Energy: 2.527053184221017
Energy: 2.275013880520317
Energy: 2.7163639489168827
Energy: 2.113516497077148
Energy: 2.52640985353459
Energy: 2.2595022609914226
Energy: 2.5270531842254735
Energy: 2.2750138805247735
Energy: 2.7163639489146543
Energy: 2.5501112924679163
Energy: 2.346171879159161
Energy: 2.266030787431118
Energy: 2.22488544413869
Energy: 2.018288384220029
Energy: 2.0607661827665686
Energy: 2.550111292461233
Energy: 2.346171879161389
Energy: 2.2660307874288894
Energy: 2.22488544413869
Energy: 2.056522716491603
Energy: 1.9573678732422335
Energy: 2.443371646411183
Energy: 2.502697100442263
Energy: 2.019326547938135
Energy: 2.064373422392815
Energy: 2.0565227159014237
Energy: 1.9573678732422335
Energy: 2.4433716464067268
Energy: 2.502697100442263
Energy: 2.178081112745051
Energy: 1.957539226291738
Energy: 2.1842133873694105
Energy: 2.2363366983288375
Energy: 2.3785493485693268
Energy: 2.4850363852016994
Energy: 2.178081112740595
Energy: 1.957539226287282
Energy: 2.1842133873716385
Energy: 2.236336698326609
Energy: 2.183554682204605
Energy: 1.957448534532596
Energy: 2.2435054320898296
Energy: 2.476189414509435
Energy: 2.2858029990162123
Energy: 2.236356014470326
Energy: 2.1835546822068324
Energy: 1.957448534532596
Energy: 2.243505432092058
Energy: 2.476189414513891
Energy: 2.59302839074195
Energy: 1.9574603206158372
Energy: 2.057406062012468
Energy: 2.0642268811055358
Energy: 2.018878573912993
Energy: 2.5416576815407126
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Energy: 2.057406062016924
Energy: 2.06422688110108
Energy: 2.266079583913336
Energy: 2.503821377920088
Energy: 2.5241976693934074
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Energy: 2.018190218516869
Energy: 2.2245065619675586
Energy: 2.266079583917792
Energy: 2.503821377926772
Energy: 2.5241976693956354
Energy: 2.1267020578383935
Energy: 2.1131016988787024
Energy: 2.5410870720637875
Energy: 2.1677398801235452
Energy: 2.4702545028149716
Energy: 2.2751947921996325
Energy: 2.4374145754679475
Energy: 2.11310169888093
Energy: 2.5410870720637875
Energy: 2.1677398801257732
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Energy: 2.0640335471386457
Energy: 2.5391355207118345
Energy: 2.3475746738083147
Energy: 2.266152000146834
Energy: 2.2250903158937705
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Energy: 2.06403354714533
Energy: 2.53913552071629
Energy: 2.3475746738127707
Energy: 2.0191997725928053
Energy: 2.064854867569888
Energy: 2.056434104106798
Energy: 1.9573191975625472
Energy: 2.460404192012638
Energy: 2.4415836651709197
Energy: 2.019199772597261
Energy: 2.0648548675721154
Energy: 2.05643410410457
Energy: 1.9573191975603192
Energy: 2.4939203459353254
Energy: 2.284105303755258
Energy: 2.374670352740267
Energy: 1.9579143457387445
Energy: 2.1838598604539547
Energy: 2.2377135802899444
Energy: 2.4939203459330974
Energy: 2.2841053037508026
Energy: 2.374670352742495
Energy: 1.9579143457409727
Energy: 2.285754911506247
Energy: 2.2363783844795417
Energy: 2.18356312413683
Energy: 1.9573587085747657
Energy: 2.23002798552935
Energy: 2.5292678377831304
Energy: 2.2857549115107036
Energy: 2.23637838448177
Energy: 2.18356312413683
Energy: 1.9573587085814497
Energy: 2.018767656421083
Energy: 2.275834155335492
Energy: 2.6011519128061362
Energy: 1.9573745245267595
Energy: 2.058992126952611
Energy: 2.063933677211831
Energy: 2.018767656423311
Energy: 2.27583415533772
Energy: 2.6011519128150478
Energy: 1.9573745245289877
Energy: 2.0182354903969975
Energy: 2.2245286934204396
Energy: 2.265981238188905
Energy: 2.4781233637135025
Energy: 2.5231490616886867
Energy: 2.3197599476745463
Energy: 2.0182354903969975
Energy: 2.2245286934182116
Energy: 2.2659812381822206
Energy: 2.478123363709047
Energy: 2.281297390303404
Energy: 2.415849030676603
Energy: 2.3365654765337665
Energy: 2.540883076173983
Energy: 2.169294056214865
Energy: 2.4702948180424813
Energy: 2.281297390298948
Energy: 2.4158490306743756
Energy: 2.3365654765382224
Energy: 2.540883076173983
Energy: 2.2662805134107114
Energy: 2.225901263389291
Energy: 2.0181353384936074
Energy: 2.063682981221887
Energy: 2.3919237414252317
Energy: 2.4376063902588454
Energy: 2.266280513406256
Energy: 2.225901263389291
Energy: 2.018135338498064
Energy: 2.063682981217431
Energy: 2.1176885790271918
Energy: 2.4758395699983637
Energy: 2.0193091786832245
Energy: 2.0636618691278867
Energy: 2.062123768800603
Energy: 1.957357881505757
Energy: 2.1176885790316478
Energy: 2.4758395700005913
Energy: 2.0193091786787694
Energy: 2.063661869121243
Energy: 2.183874449824907
Energy: 2.236504053351547
Energy: 2.493914972551351
Energy: 2.283735059569942
Energy: 2.2949097881432245
Energy: 1.9578492453017513
Energy: 2.183874449829363
Energy: 2.236504053349319
Energy: 2.493914972553579
Energy: 2.283735059569942
Energy: 2.000519865609561
Energy: 2.5290792651390084
Energy: 2.2860228792320094
Energy: 2.2363266985929116
Energy: 2.1034631329984057
Energy: 1.9575838893042097
Energy: 2.000519865611789
Energy: 2.5290792651300964
Energy: 2.2860228792364654
Energy: 2.2363266985951396
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Energy: 2.5536462394085118
Energy: 2.3277598988570656
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Energy: 2.0635684589683994
Energy: 1.9872882223429902
Energy: 2.3719489722816642
Energy: 2.113139703947853
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Energy: 2.023620362933044
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Energy: 2.2403060913378643
Energy: 2.2786661172586222
Energy: 2.2456446089829876
Energy: 2.063841153662951
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Energy: 2.27866611726085
Energy: 2.2456446089829876
Energy: 2.063841153660723
Energy: 2.1864723000023933
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Energy: 2.5583557258403586
Energy: 2.1864723000023933
Energy: 2.236308522196442
Energy: 2.4947595862792378
Energy: 2.2368566549797118

minimum gb energy = 1.9510535253396744 eV
minimum distance =  2.40765802769563 Angstroms
sigma value = 219


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

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Energy: 2.1476117963911676
Energy: 2.0047536186121673
Energy: 2.4366495143700826
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Energy: 2.1643971480389985
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Energy: 2.0970722140861855
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Energy: 2.0888987597042346
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Energy: 2.014140716908067
Energy: 1.894917856966412
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Energy: 1.821243307864959
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Energy: 1.9596332769667746
Energy: 2.0141407169095418
Energy: 2.004956458327751
Energy: 2.042560253068433
Energy: 2.0047673040751195
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Energy: 2.147390970007143
Energy: 2.0049564583292248
Energy: 2.042560253068433
Energy: 2.0047673040751195
Energy: 2.5826358313602746

minimum gb energy = 1.8208961214753068 eV
minimum distance =  2.50279698329177 Angstroms
sigma value = 15


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

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Energy: 2.428764680666599
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Energy: 2.1391250817762417
Energy: 2.851646630741923
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minimum gb energy = 2.0802705888070183 eV
minimum distance =  2.43878374997372 Angstroms
sigma value = 293


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

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Energy: 2.2501270940384517
Energy: 2.3025260198795223
Energy: 2.3461687789444445
Energy: 2.164429368862956
Energy: 2.569348655554358
Energy: 2.2134414321713405
Energy: 2.2501270940384517
Energy: 2.4282697321307385
Energy: 2.2562730639514923
Energy: 2.3611013051359766
Energy: 2.227077326106538
Energy: 2.2812889140419745
Energy: 2.1097944459967946
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Energy: 2.256273063951159
Energy: 2.3611013051353105
Energy: 2.2270773261102015
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Energy: 2.2082732938333405
Energy: 2.5049562548883917
Energy: 2.2618756235416786
Energy: 2.25579984734384
Energy: 2.648280137403889
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Energy: 2.5049562548883917
Energy: 2.2618756235413455
Energy: 2.255799847343174
Energy: 2.2084578083326516
Energy: 2.2087459255063133
Energy: 2.183319174504423
Energy: 2.559654667682887
Energy: 2.3935929037680643
Energy: 2.344276696891401
Energy: 2.2084578083316524
Energy: 2.2087459255069795
Energy: 2.1833191745047555
Energy: 2.5596546676832195
Energy: 2.236032843060998
Energy: 2.319105580011463
Energy: 2.268840450651549
Energy: 2.4413591330975217
Energy: 2.2845528982303946
Energy: 2.473852808825091
Energy: 2.2360328430613308
Energy: 2.319105580010797
Energy: 2.268840450650883
Energy: 2.4413591330928894
Energy: 2.2288007470037563
Energy: 2.337810136303297
Energy: 2.337805723652306
Energy: 2.2287407331649276
Energy: 2.1790870455912437
Energy: 2.1791040988524495
Energy: 2.2288007470027575
Energy: 2.33781013630363
Energy: 2.3378057236526395
Energy: 2.2287407331642615
Energy: 2.4415203543466113
Energy: 2.2687859454739776
Energy: 2.3192453293209163
Energy: 2.232942360955087
Energy: 2.4737307278623457
Energy: 2.284259971047643
Energy: 2.441520354347611
Energy: 2.2687859454726453
Energy: 2.319245329319584
Energy: 2.232942360954754
Energy: 2.559363555324229
Energy: 2.183320149450107
Energy: 2.2087081434201132
Energy: 2.208411422491408
Energy: 2.3442921749234933
Energy: 2.3935490721631996
Energy: 2.5593635553258944
Energy: 2.1833201494507732
Energy: 2.2087081434201132
Energy: 2.208411422492407
Energy: 2.2557128958498542
Energy: 2.262212012818554
Energy: 2.5049562548873925
Energy: 2.2082099525310297
Energy: 2.1430521641599523
Energy: 2.6482801374028893
Energy: 2.2557128958501877
Energy: 2.2622120128188876
Energy: 2.5049562548880586
Energy: 2.2082099525310297
Energy: 2.318868569103115
Energy: 2.2206462302778087
Energy: 2.2562451449670164
Energy: 2.3470063683343647
Energy: 2.2286535665189633
Energy: 2.410974304734458
Energy: 2.318868569103781
Energy: 2.2206462302771426
Energy: 2.2562451449663503
Energy: 2.3470063683356965

minimum gb energy = 2.1097944459964615 eV
minimum distance =  2.42036710187184 Angstroms
sigma value = 293


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

Energy: 1.7535300307476986
Energy: 2.267997388380968
Energy: 1.8709356792327385
Energy: 2.5909310835781754
Energy: 1.8709377435528898
Energy: 2.172315214850894
Energy: 1.7535300307470965
Energy: 2.26799774516257
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Energy: 2.724558361002765
Energy: 2.0284987102906076
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Energy: 1.8756771832492283
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Energy: 1.8709743845520608
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Energy: 2.0287348356180384
Energy: 1.752890154420066
Energy: 2.571661227752884
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Energy: 2.4088507998278903
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Energy: 1.7535300307476986
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Energy: 1.8712605463169307
Energy: 2.571634947556222
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Energy: 1.8712700250046257
Energy: 2.5147320990339366
Energy: 2.515006733999201
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Energy: 3.1220621958242494
Energy: 2.028636803284985
Energy: 1.8712700250124512
Energy: 2.5147320990339366
Energy: 2.5150067339979967
Energy: 1.7535300307476986
Energy: 2.2679982139232098
Energy: 1.8709356792351468
Energy: 2.4619225806142917
Energy: 1.8709377435498797
Energy: 1.8751545844462842
Energy: 1.7535300307476986
Energy: 2.2679970612323124
Energy: 1.8709356792357488
Energy: 2.461922580613717
Energy: 2.02849871032492
Energy: 2.487013415274105
Energy: 1.870974384553265
Energy: 2.06461133314285
Energy: 2.51470943675135
Energy: 1.8712605313837567
Energy: 2.028498710199764
Energy: 2.4870134152753094
Energy: 1.870974384553265
Energy: 2.0646113331410443
Energy: 1.8756771832474224
Energy: 1.752910159438979
Energy: 2.5716349475556197
Energy: 1.7529130829404362
Energy: 2.0285997498022863
Energy: 1.8726062152829597
Energy: 1.8756771832474224
Energy: 1.7529101594401828
Energy: 2.571634947557426
Energy: 1.7529130829422421
Energy: 2.571661227754088
Energy: 1.752897094839065
Energy: 1.8756355875843735
Energy: 1.8725996827546623
Energy: 2.028734841097792
Energy: 1.7528901544188622
Energy: 2.5716612277522817
Energy: 1.752897094837259
Energy: 1.8756355875861794
Energy: 1.8725996827540603
Energy: 1.8710159129844814
Energy: 3.1220621958254533
Energy: 2.0286367875701727
Energy: 1.8712700250076357
Energy: 2.5147320990339366
Energy: 2.5150067339979967
Energy: 1.8710159129874915
Energy: 3.1220621958242494
Energy: 2.028636793637181
Energy: 1.8712700250064316
Energy: 1.8709377435516856
Energy: 1.875147039269806
Energy: 1.7535300307476986
Energy: 2.2679973575175567
Energy: 1.8709356792351468
Energy: 2.4619225806154956
Energy: 1.8709377435510837
Energy: 1.8751461422157425
Energy: 1.7535300307476986
Energy: 2.267996981750283
Energy: 2.5147094367519522
Energy: 1.8712605341341544
Energy: 2.0284987100770158
Energy: 2.4870134152753094
Energy: 1.8709743845508569
Energy: 2.0646113331422478
Energy: 2.5147094367519522
Energy: 1.8712605324319325
Energy: 2.0284987100613643
Energy: 2.487013415274707

minimum gb energy = 1.75289015441826 eV
minimum distance =  2.47663433189223 Angstroms
sigma value = 15


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

Energy: 2.5260902998606936
Energy: 2.4240247119635034
Energy: 2.2157788667502905
Energy: 2.2372331266366188
Energy: 2.228747584225498
Energy: 2.45379356389716
Energy: 2.5260902998634225
Energy: 2.424024711966232
Energy: 2.215778866758427
Energy: 2.237233126644805
Energy: 2.334181394845984
Energy: 2.5197949090866096
Energy: 2.1708996944065997
Energy: 2.2239969315335166
Energy: 2.2440236786661223
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Energy: 2.3910577701581723
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Energy: 2.2788055703054977
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Energy: 2.375072976940657
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Energy: 2.2587047582016755
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Energy: 2.5559598202242526
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Energy: 2.1856346265561455
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Energy: 2.1856346265561455
Energy: 2.557081824503143
Energy: 2.2349625427622892
Energy: 2.601636747902616
Energy: 2.1910254822905464
Energy: 2.2162590580076817
Energy: 2.1436379960480223
Energy: 2.20179423142778
Energy: 2.261238146354872
Energy: 2.6016367479053453
Energy: 2.1910254822823605
Energy: 2.2162590580022243
Energy: 2.1436379960507512
Energy: 2.1681285130488885
Energy: 2.379197413133381
Energy: 2.197041476324252
Energy: 2.2172270450905747
Energy: 2.3271040928080002
Energy: 2.3405931820452586
Energy: 2.1681285130461596
Energy: 2.379197413133381
Energy: 2.197041476326981
Energy: 2.2172270450797087
Energy: 2.4269355570015687
Energy: 2.4399091391417063
Energy: 2.304645542723396
Energy: 2.2305642019614345
Energy: 2.183764164135452
Energy: 2.261857641947671
Energy: 2.4269355570070266
Energy: 2.43990913913352
Energy: 2.304645542723396
Energy: 2.2305642019723493
Energy: 2.60143574297866
Energy: 2.1446461924376226
Energy: 2.2048852633894613
Energy: 2.140428934367182
Energy: 2.221907514971453
Energy: 2.1867573585005142
Energy: 2.601435742975932
Energy: 2.1446461924430804
Energy: 2.2048852633840035
Energy: 2.1404289343699103
Energy: 2.4734818139921706
Energy: 2.2942016382262804
Energy: 2.2225964622385668
Energy: 2.244775449294588
Energy: 2.4095923682418814
Energy: 2.190126327570025
Energy: 2.4734818139948995
Energy: 2.294201638231738
Energy: 2.2225964622385668
Energy: 2.2447754492918595
Energy: 2.1479633071079243
Energy: 2.370699114939885
Energy: 2.5674657291493306
Energy: 2.2174081079568686
Energy: 2.244111244950481
Energy: 2.4255649790862215
Energy: 2.1479633071133817
Energy: 2.370699114945342
Energy: 2.5674657291493306
Energy: 2.217408107959597
Energy: 2.2791435541762857
Energy: 2.36609524338669
Energy: 2.1890508667140387
Energy: 2.552767801697025
Energy: 2.191188267129925
Energy: 2.404361044879925
Energy: 2.2791435541817435
Energy: 2.36609524338669
Energy: 2.1890508667085813
Energy: 2.552767801699753
Energy: 2.269012450181188
Energy: 2.4767221763697926
Energy: 2.275330026484846
Energy: 2.248455255220557
Energy: 2.2046673941942947
Energy: 2.2067377988254107
Energy: 2.2690124501784585
Energy: 2.4767221763752496
Energy: 2.275330026490303
Energy: 2.2484552552178285
Energy: 2.205816753539503
Energy: 2.3460132540717304
Energy: 2.4885103102220967
Energy: 2.1786508426694327
Energy: 2.230016532765639
Energy: 2.2299269284422567
Energy: 2.2058167535422317
Energy: 2.346013254069002
Energy: 2.4885103102166393
Energy: 2.178650842680348
Energy: 2.3960042949380376
Energy: 2.260532287691179
Energy: 2.5283492551919107
Energy: 2.2948965000277073
Energy: 2.212577204847018
Energy: 2.195599039976688
Energy: 2.396004294940766
Energy: 2.260532287685722
Energy: 2.5283492551919107
Energy: 2.2948965000277073
Energy: 2.291537269565838
Energy: 2.5572463677624775
Energy: 2.303954696876248
Energy: 2.2761496170659092
Energy: 2.1681624193627655
Energy: 2.217433217887781
Energy: 2.291537269565838
Energy: 2.5572463677624775
Energy: 2.3039546968789764
Energy: 2.2761496170604523
Energy: 2.1954921467682085
Energy: 2.5251247726707104
Energy: 2.3757178404824963
Energy: 2.3025105074660477
Energy: 2.2328215758966747
Energy: 2.2422498357775633
Energy: 2.1954921467654795
Energy: 2.525124772676168
Energy: 2.3757178404852253
Energy: 2.302510507455133
Energy: 2.3059919384687224
Energy: 2.2290291502233295
Energy: 2.4645625247103022
Energy: 2.3936969604614555
Energy: 2.185615771583328
Energy: 2.2210272240115962
Energy: 2.305991938463265
Energy: 2.2290291502206006
Energy: 2.4645625247130307
Energy: 2.3936969604641845
Energy: 2.507716263365788
Energy: 2.3186860878639375
Energy: 2.2660420512430273
Energy: 2.274196955982128
Energy: 2.588661703800327
Energy: 2.1995731568419092
Energy: 2.5077162633685166
Energy: 2.318686087866666
Energy: 2.2660420512402983
Energy: 2.2741969559848565
Energy: 2.2184997950844885
Energy: 2.2904761231760693
Energy: 2.4609160207378515
Energy: 2.3000481429386603
Energy: 2.4243505115261894
Energy: 2.1896017410632154
Energy: 2.218499795089946
Energy: 2.2904761231787982
Energy: 2.460916020732394
Energy: 2.300048142935932
Energy: 2.24251143124502
Energy: 2.193461334330531
Energy: 2.2806188104865677
Energy: 2.586901180241513
Energy: 2.2009333691935153
Energy: 2.2418291874721468
Energy: 2.24251143124502
Energy: 2.1934613343332594
Energy: 2.280618810489296
Energy: 2.586901180241513
Energy: 2.142827652018552
Energy: 2.243145271774588
Energy: 2.284903551547857
Energy: 2.615946186785583
Energy: 2.23315853328223
Energy: 2.192759877140578
Energy: 2.142827652018552
Energy: 2.2431452717800453
Energy: 2.2849035515533145
Energy: 2.6159461867910414
Energy: 2.229049432169145
Energy: 2.296654098214642
Energy: 2.3989203477611625
Energy: 2.2803440540853956
Energy: 2.256107422584977
Energy: 2.1326376836105756
Energy: 2.229049432169145
Energy: 2.2966540982091845
Energy: 2.3989203477584335
Energy: 2.280344054090853

minimum gb energy = 2.1274002230166005 eV
minimum distance =  2.42759856246803 Angstroms
sigma value = 437


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

Energy: 2.3650698049554983
Energy: 2.481018378498023
Energy: 2.200194736392835
Energy: 2.7526796072292083
Energy: 2.2002731904844692
Energy: 2.4233605954741737
Energy: 2.365069804957487
Energy: 2.481018378495041
Energy: 2.2001947363948227
Energy: 2.7526796072321904
Energy: 2.3260425333123798
Energy: 2.5078763786199767
Energy: 2.2003761056654656
Energy: 2.274145253573787
Energy: 2.3885328889731494
Energy: 2.367506132553252
Energy: 2.326042533310392
Energy: 2.5078763786229583
Energy: 2.2003761056664595
Energy: 2.274145253571799
Energy: 2.209410074570172
Energy: 2.1704071061100128
Energy: 2.4155959610081705
Energy: 2.067588675191122
Energy: 2.1905420155132145
Energy: 2.426252163776907
Energy: 2.2094100745681837
Energy: 2.1704071061060364
Energy: 2.4155959610071767
Energy: 2.0675886751901276
Energy: 2.7704468787596075
Energy: 2.1764578327054864
Energy: 2.172186279080253
Energy: 2.2150672346489433
Energy: 2.2011953071295722
Energy: 2.3269714176038967
Energy: 2.7704468787586136
Energy: 2.1764578327094632
Energy: 2.172186279080253
Energy: 2.215067234645961
Energy: 2.3932135701129944
Energy: 2.4032649835884397
Energy: 2.155853539567079
Energy: 2.2034909876917914
Energy: 2.2365640743838746
Energy: 2.257841051980661
Energy: 2.393213570115977
Energy: 2.403264983589434
Energy: 2.155853539568073
Energy: 2.2034909876858264
Energy: 2.393415131614628
Energy: 2.5547553151819975
Energy: 2.177850457825399
Energy: 2.2057072391327575
Energy: 2.11521164177642
Energy: 2.285295287761978
Energy: 2.393415131611646
Energy: 2.554755315180009
Energy: 2.177850457824405
Energy: 2.205707239137728
Energy: 2.610573891610777
Energy: 2.1767280963893736
Energy: 2.398926853335317
Energy: 2.2132078166730103
Energy: 2.1521562846774427
Energy: 2.1700939229246243
Energy: 2.6105738916077943
Energy: 2.176728096390368
Energy: 2.398926853333329
Energy: 2.213207816672016
Energy: 2.260385696518147
Energy: 2.3073675710336885
Energy: 2.6033460606322714
Energy: 2.214211301976599
Energy: 2.2023074824536586
Energy: 2.176483257547196
Energy: 2.26038569651417
Energy: 2.307367571030706
Energy: 2.6033460606322714
Energy: 2.214211301980576
Energy: 2.4556997051102045
Energy: 2.32696186761293
Energy: 2.648396038631196
Energy: 2.1501812311275765
Energy: 2.2002496404222613
Energy: 2.620159733264442
Energy: 2.4556997051131875
Energy: 2.326961867616906
Energy: 2.6483960386341785
Energy: 2.150181231125588
Energy: 2.356552930744436
Energy: 2.2524227669395698
Energy: 2.170453194851302
Energy: 2.2073821413096013
Energy: 2.200206464713159
Energy: 2.330983656797133
Energy: 2.3565529307474185
Energy: 2.2524227669425523
Energy: 2.170453194850308
Energy: 2.2073821413096013
Energy: 2.6710567420147826
Energy: 2.333019931446653
Energy: 2.2096198273868732
Energy: 2.2673743237753095
Energy: 2.3836109036401156
Energy: 2.184111370420516
Energy: 2.6710567420177647
Energy: 2.3330199314506292
Energy: 2.209619827389856
Energy: 2.2673743237753095
Energy: 2.209804440245538
Energy: 2.1717038661851973
Energy: 2.798050356266264
Energy: 2.0719501026763165
Energy: 2.1906437829764784
Energy: 2.2850986291569386
Energy: 2.2098044402495143
Energy: 2.171703866187186
Energy: 2.79805035626527
Energy: 2.071950102678305
Energy: 2.1690644988591936
Energy: 2.1773004243712117
Energy: 2.421765482744891
Energy: 2.2399878195614207
Energy: 2.208096894049702
Energy: 2.326054071942717
Energy: 2.1690644988572054
Energy: 2.177300424374194
Energy: 2.4217654827458848
Energy: 2.239987819558438
Energy: 2.377002993493832
Energy: 2.4339594173389
Energy: 2.2007539016506326
Energy: 2.4171450511019805
Energy: 2.182978648469158
Energy: 2.3304591784478403
Energy: 2.377002993495821
Energy: 2.4339594173408887
Energy: 2.2007539016476496
Energy: 2.4171450511009867

minimum gb energy = 2.0675886751901276 eV
minimum distance =  2.420653674825 Angstroms
sigma value = 33