Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_003
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=3.140962809324265
cohesive_energy=6.754333578238715
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: 0.01961867121924623
Energy: 0.03601137879688532
Energy: 0.024133075119571086
Energy: 4.372084850200988
Energy: 0.024133075117656336
Energy: 0.03601137879688532
Energy: 0.01961867121924623
Energy: 0.03601137879688532
Energy: 0.024133075117656336
Energy: 2.9681304595294
Energy: 1.2566003616029793
Energy: 0.031503830778985914
Energy: 0.020892668125142407
Energy: 1.2469957643264409
Energy: 0.020892668123227653
Energy: 0.03150383078090067
Energy: 1.2566003616029793
Energy: 0.031503830784730166
Energy: 0.020892668123227653
Energy: 1.2469957643283558
Energy: 0.01961867121924623
Energy: 0.03601137879688532
Energy: 0.024133075119571086
Energy: 4.372084850200988
Energy: 0.024133075117656336
Energy: 0.03601137879688532
Energy: 0.01961867121924623
Energy: 0.036011378798800064
Energy: 0.024133075117656336
Energy: 2.9681304595313147
Energy: 1.2566003616029793
Energy: 0.03150383078281541
Energy: 0.020892668125142407
Energy: 1.2469957643283558
Energy: 0.020892668123227653
Energy: 0.03150383078281541
Energy: 1.2566003616010646
Energy: 0.03150383077707116
Energy: 0.020892668125142407
Energy: 1.2469957643264409
Energy: 0.01961867121924623
Energy: 0.03601137879688532
Energy: 0.024133075119571086
Energy: 1.1971764503075826
Energy: 0.024133075119571086
Energy: 0.03601137879688532
Energy: 0.01961867121924623
Energy: 0.03601137879688532
Energy: 0.024133075117656336
Energy: 2.9681304595294
Energy: 1.2566003616029793
Energy: 0.03150383078090067
Energy: 0.020892668125142407
Energy: 1.2469957643264409
Energy: 0.020892668123227653
Energy: 0.03150383077707116
Energy: 1.2566003616029793
Energy: 0.031503830778985914
Energy: 0.020892668123227653
Energy: 1.2469957643283558
Energy: 0.01961867121924623
Energy: 0.03601137879688532
Energy: 0.024133075119571086
Energy: 3.7050461116933753
Energy: 0.024133075117656336
Energy: 0.03601137879688532
Energy: 0.01961867121924623
Energy: 0.03601137879688532
Energy: 0.024133075117656336
Energy: 2.9681304595294

minimum gb energy = 0.01961867121924623 eV
minimum distance =  2.5481581902369 Angstroms
sigma value = 3


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

Energy: 2.01699383376701
Energy: 2.352659704651024
Energy: 2.283523083248682
Energy: 2.6889570764556683
Energy: 2.2835195248068647
Energy: 2.3526624021362137
Energy: 2.016993833767948
Energy: 2.3526597046505544
Energy: 2.283523083248682
Energy: 2.221373430972284
Energy: 2.1548923729977103
Energy: 2.275553158527707
Energy: 0.8666948874709579
Energy: 2.3137899167071097
Energy: 1.4569443527966914
Energy: 2.1142549237041806
Energy: 2.1548923729906755
Energy: 2.2755531585244237
Energy: 0.8668754476047698
Energy: 2.313789916702888
Energy: 2.0606337037106193
Energy: 2.2215375038468266
Energy: 2.1645253528888
Energy: 2.1566984373602947
Energy: 2.270355038958907
Energy: 2.1514304674421867
Energy: 2.060633703713433
Energy: 2.009673751784765
Energy: 2.1645253528925523
Energy: 2.1566984373598257
Energy: 2.166087305480262
Energy: 1.4120857313885247
Energy: 2.146786831607726
Energy: 2.1122812217755085
Energy: 2.1535993775962217
Energy: 2.148470346280342
Energy: 2.1660873054835452
Energy: 1.412085728907599
Energy: 2.1467868316053806
Energy: 2.1122812217769162
Energy: 1.97551081720194
Energy: 2.14235359374523
Energy: 2.014110089717895
Energy: 2.143154973560139
Energy: 1.4996641369740682
Energy: 2.185377394048193
Energy: 1.9755108172052231
Energy: 2.1423535937438225
Energy: 2.0141100897272755
Energy: 2.1431549735582625
Energy: 2.122871587071137
Energy: 2.165753393221589
Energy: 2.1589683527829693
Energy: 2.144271617783371
Energy: 2.220845763857425
Energy: 2.1686395001553036
Energy: 2.1560204679616497
Energy: 2.165753393223935
Energy: 2.1589683527853145
Energy: 2.1442716177829015
Energy: 2.1784582085278696
Energy: 2.1450026572463914
Energy: 2.2076587740505924
Energy: 2.1366577565850875
Energy: 2.134925690881083
Energy: 2.1447983540787647
Energy: 2.1784582085274002
Energy: 2.145002657244515
Energy: 2.2076587740496545
Energy: 2.1366577565850875
Energy: 2.2868788915257654
Energy: 2.285111851548155
Energy: 2.3371717301536883
Energy: 2.152238186077621
Energy: 2.1391532682963654
Energy: 2.03547686314468
Energy: 2.126998505441533
Energy: 2.285111851545341
Energy: 2.337171730149467
Energy: 2.1522381860719926
Energy: 2.27008848228672
Energy: 1.4272598481922123
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Energy: 2.113915982044695
Energy: 2.2713143288276156
Energy: 2.3686800750896775
Energy: 2.270088482290004
Energy: 0.8654847801187505
Energy: 2.356876631057134
Energy: 2.1139159820517306
Energy: 2.3676905349972337
Energy: 2.274334715912314
Energy: 2.504669416202709
Energy: 2.1794498000719793
Energy: 2.3371769106912574
Energy: 2.312448513770628
Energy: 2.367690534998172
Energy: 2.274334715911845
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Energy: 2.1794498000719793
Energy: 2.0951059068586337
Energy: 1.24777084835376
Energy: 2.259175310636639
Energy: 2.135469116709011
Energy: 2.1463630448052746
Energy: 2.412712091962145
Energy: 2.095105906859572
Energy: 1.4533363143594265
Energy: 2.2591753106328865
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Energy: 2.1442573156101576
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Energy: 2.164459709812473
Energy: 1.6744934528283688
Energy: 2.1579059282570867
Energy: 2.1600130035772613
Energy: 2.1162172197700135
Energy: 2.17925576551075
Energy: 2.160104929773274
Energy: 1.6744934523375645
Energy: 2.1579059282556794
Energy: 2.160013003580075
Energy: 2.1162172197718894
Energy: 2.1188309308086484
Energy: 2.160013003583827
Energy: 2.156030675164856
Energy: 1.6747773955998377
Energy: 2.160312842561778
Energy: 2.1771517277439774
Energy: 2.1188309308119315
Energy: 2.1600130035866414
Energy: 2.1560306751625107
Energy: 1.6747773955965546
Energy: 2.1642480055104194
Energy: 2.1370639786349948
Energy: 2.1443516715369797
Energy: 2.142089118045364
Energy: 2.162849885486765
Energy: 2.154368284019986
Energy: 2.164248005513233
Energy: 2.137063978631712
Energy: 2.144351671540263
Energy: 2.142089118044426
Energy: 2.1505419772525762
Energy: 2.2591956166496696
Energy: 1.247366010213547
Energy: 2.094794062212531
Energy: 2.4124821909796896
Energy: 2.146160597284382
Energy: 2.1505419772502314
Energy: 2.2591956166496696
Energy: 1.4580964494925899
Energy: 2.094794062213469
Energy: 2.1795335099058164
Energy: 2.504464868418769
Energy: 2.271801156408194
Energy: 2.3449551802209276
Energy: 2.312432382734114
Energy: 2.360567420091967
Energy: 2.1795335099119133
Energy: 2.5044648684183
Energy: 2.2718011564114766
Energy: 2.3449551802199893
Energy: 2.1139231745592997
Energy: 2.357241190054125
Energy: 1.428336379010693
Energy: 2.2701284747425667
Energy: 2.3685949382223135
Energy: 2.2710254177002813
Energy: 2.113923174559769
Energy: 2.357241190054125
Energy: 0.8697545790023404
Energy: 2.2701284747425667
Energy: 2.152239357939836
Energy: 2.265516041520812
Energy: 2.285042603477583
Energy: 2.1267985238699563
Energy: 2.0346583481089793
Energy: 2.139094933692234
Energy: 2.1522393579370216
Energy: 2.2655160415226883
Energy: 2.2850426034785207
Energy: 2.1267985238633895
Energy: 2.141341646324576
Energy: 2.2074239487707694
Energy: 2.1463533953256606
Energy: 2.179284922903609
Energy: 2.2187732435701313
Energy: 2.1350784230506656
Energy: 2.1413416463217616
Energy: 2.207423948773114
Energy: 2.1463533953298817
Energy: 2.179284922899388
Energy: 2.1435887113389835
Energy: 2.158893521866274
Energy: 2.1657226162144583
Energy: 2.127454871648082
Energy: 2.16844325580318
Energy: 2.211409662739778
Energy: 2.1435887113385146
Energy: 2.158893521870964
Energy: 2.1657226162163337
Energy: 2.16555603152818
Energy: 2.1435209637442667
Energy: 1.9735258116923573
Energy: 2.142621584084796
Energy: 1.9760846124425033
Energy: 2.1853773940453785
Energy: 1.5007750735435046
Energy: 2.1435209637423904
Energy: 1.9735258116862602
Energy: 2.142621584084327
Energy: 1.9760846124410965
Energy: 2.112415550189765
Energy: 2.1470875875684774
Energy: 1.4124896464901686
Energy: 2.164849981696296
Energy: 2.148718804745898
Energy: 2.1536497641719636
Energy: 2.112415550187419
Energy: 2.1470875875680084
Energy: 1.4124897072158007
Energy: 2.164849981695827
Energy: 2.1566984373654536
Energy: 2.1645380838407178
Energy: 2.2079704728349228
Energy: 2.060161383575835
Energy: 2.127479429972877
Energy: 2.2703383561146313
Energy: 2.156698437365922
Energy: 2.1645380838421246
Energy: 2.2211994813270204
Energy: 2.060161383575835
Energy: 2.3137180317762263
Energy: 1.429407586169698
Energy: 2.275523127731295
Energy: 2.1557954688522525
Energy: 2.1146420069368577
Energy: 1.5152173887279217
Energy: 2.3137180317729436
Energy: 1.436206442200978
Energy: 2.27552312772895
Energy: 2.155795468856474
Energy: 2.2219995096470613
Energy: 2.2835195248091673
Energy: 2.3526624021315232
Energy: 2.0169938337585678
Energy: 2.3526597046524307
Energy: 2.283523083246806
Energy: 2.2219995104023487
Energy: 2.283519524810574
Energy: 2.3526624021305853
Energy: 2.0169938337717004
Energy: 2.3137899167010123
Energy: 1.245533821638099
Energy: 2.114254923698552
Energy: 2.154892373004277
Energy: 2.2755531585314595
Energy: 0.8674529674754506
Energy: 2.313789916702888
Energy: 1.4471468395351463
Energy: 2.1142549237023043
Energy: 2.1548923730014624
Energy: 2.1566984373612326
Energy: 2.2703550389560934
Energy: 2.2270678697662842
Energy: 2.0606337037068667
Energy: 2.1480452636797764
Energy: 2.1645253528911454
Energy: 2.156698437365922
Energy: 2.270355038952341
Energy: 2.1514304674380083
Energy: 2.0606337037092115
Energy: 2.1122812217787916
Energy: 2.153599377587779
Energy: 2.148470346286439
Energy: 2.1660873054877663
Energy: 1.4120857294884543
Energy: 2.146786831610071
Energy: 2.1122812217806683
Energy: 2.1535993775924696
Energy: 2.148470346286439
Energy: 2.166087305481669

minimum gb energy = 0.8654847801187505 eV
minimum distance =  2.54077509835779 Angstroms
sigma value = 75


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

Energy: 0.9496809448629766
Energy: 1.2171940463786035
Energy: 1.8046535126964458
Energy: 2.0034127220338505
Energy: 1.8968088575872146
Energy: 1.4541707455560828
Energy: 0.9496809458512206
Energy: 1.2171940463900464
Energy: 1.8046535126964458
Energy: 1.9957721295281474
Energy: 1.8513926459137149
Energy: 2.0352861283912356
Energy: 0.9656419983708562
Energy: 1.9060343195238278
Energy: 1.869146765721644
Energy: 1.9639509890214846
Energy: 1.8513926459091379
Energy: 2.0098961399104764
Energy: 0.9656419983639905
Energy: 1.2544147011549038
Energy: 1.392605550750937
Energy: 1.8054559884387569
Energy: 2.040217541822219
Energy: 2.0295182185899194
Energy: 1.1406216159362303
Energy: 2.0459361361736343
Energy: 1.3926055507417827
Energy: 1.805455988431891
Energy: 2.0402175418199304
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Energy: 2.0248246478000955
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Energy: 2.0260143192526074
Energy: 2.0446809503816645
Energy: 2.0215386097425703
Energy: 2.024824647806961
Energy: 2.0340397979411207
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Energy: 2.0260143192548963
Energy: 2.047514032840248
Energy: 1.5795540744876602
Energy: 2.0646767288743084
Energy: 0.6772587232060848
Energy: 2.1385775494600394
Energy: 2.10809523496594
Energy: 2.0475140328356707
Energy: 1.5795540744876602
Energy: 2.0646767288788856
Energy: 0.6772586915074998
Energy: 1.5386125426464499
Energy: 1.3070300565904645
Energy: 2.182804097503676
Energy: 1.4330652761180138
Energy: 1.4789378364497383
Energy: 0.7792413494715175
Energy: 1.5386125426487385
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Energy: 1.898845847267307
Energy: 1.4121415261811223
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Energy: 2.0029002007512013
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Energy: 1.1948170325317549
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Energy: 2.018956972430925
Energy: 1.8674804655703743
Energy: 2.0886068229398727
Energy: 2.046436461701592
Energy: 2.0226579048298996
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Energy: 2.018956972430925
Energy: 1.8674804655657973
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Energy: 0.8969838081807007
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Energy: 1.8640859903553337
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Energy: 1.8065742232675295
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Energy: 1.8986451399783475
Energy: 1.7775687254732837
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Energy: 2.006254583635758
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Energy: 1.993399439774006
Energy: 2.0327446082247795
Energy: 2.113805432884772
Energy: 2.0664144703610154
Energy: 1.4334581722720416
Energy: 1.9523912983285538
Energy: 1.9933994397831603
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Energy: 2.113805432884772
Energy: 2.0664144703587266
Energy: 1.8250175271903737
Energy: 2.0594252222495584
Energy: 1.7606120425384255
Energy: 2.066944321465295
Energy: 2.0136927066906773
Energy: 1.9655153045220262
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Energy: 2.00061184377284
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Energy: 0.7820799367748285
Energy: 0.9007436259331283
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Energy: 0.7814599608715048
Energy: 0.68033850888596
Energy: 0.9007436259308397
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minimum gb energy = 0.22680639490726923 eV
minimum distance =  2.54092650766188 Angstroms
sigma value = 105


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

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Energy: 2.2560711394604005
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Energy: 2.2357757938291374
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Energy: 2.0525383181741654
Energy: 2.278782009789783
Energy: 2.2357757938312024
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Energy: 2.2903255028308074
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Energy: 2.2638198014776436
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Energy: 2.367543511985252
Energy: 2.100208103116205
Energy: 2.3328865558750733
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Energy: 2.336177799349037
Energy: 1.9080670235606978
Energy: 2.367543511981919
Energy: 2.1002081031208526
Energy: 2.33288655587221
Energy: 2.3616518266799686
Energy: 2.24758573373733
Energy: 2.1925693263475203
Energy: 2.269236778825711
Energy: 2.2557839987874386
Energy: 2.117293403032795
Energy: 2.2605268493691004
Energy: 2.247585733730852
Energy: 2.1925693263444215
Energy: 2.269236778824959
Energy: 2.255783998790537
Energy: 2.2709825985637604
Energy: 2.3064514757379437
Energy: 2.2560529724647314
Energy: 2.325620523904806
Energy: 2.2675184512111874
Energy: 2.2922859134236524
Energy: 2.2709825985686893
Energy: 2.3064514757374273
Energy: 2.256052972466797
Energy: 2.3256205239133028
Energy: 2.239642446015221
Energy: 2.308759835538075
Energy: 2.191336624277716
Energy: 2.235425624613039
Energy: 2.1731205164206058
Energy: 2.268953029800615
Energy: 2.2396424460178035
Energy: 2.308759835530846
Energy: 2.1913366242828793
Energy: 2.235425624608626

minimum gb energy = 1.2853617119344691 eV
minimum distance =  2.53518009990769 Angstroms
sigma value = 165


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

Energy: 2.423658535228913
Energy: 2.472559315241986
Energy: 2.3517318306318495
Energy: 2.2030501371417266
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Energy: 2.365534229677421
Energy: 2.3682245265294024
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Energy: 2.3546300097003874
Energy: 2.415275560907001
Energy: 2.368695751612979
Energy: 2.3655342296783077
Energy: 2.3682245265276296
Energy: 2.366503449831761
Energy: 2.371514477228146
Energy: 2.409547314407553
Energy: 2.4879864974477957
Energy: 2.416105047147599
Energy: 2.412341037498236
Energy: 2.3698314928400954
Energy: 2.3715144772272594
Energy: 2.409547314404894
Energy: 2.4879864974442505
Energy: 2.416105047147599
Energy: 2.4120847750754932
Energy: 2.356888047708334
Energy: 2.3664163502981665
Energy: 2.354333579519597
Energy: 2.366047790057631
Energy: 2.3546637587051933
Energy: 2.412084775076379
Energy: 2.3568880477101066
Energy: 2.366416350296394
Energy: 2.354333579522256
Energy: 2.3901850133202434
Energy: 2.351906463035567
Energy: 2.4722615203647518
Energy: 2.4236585352227085
Energy: 2.4725593152437586
Energy: 2.3517318306309627
Energy: 2.390185013136888
Energy: 2.351906463038226
Energy: 2.472261520362979
Energy: 2.4236585352253672

minimum gb energy = 2.2030501371417266 eV
minimum distance =  2.52021461657782 Angstroms
sigma value = 41


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

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Energy: 1.6583233728213336
Energy: 1.7252329715368788
Energy: 1.8818211309993704
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Energy: 1.6634033233961163
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Energy: 1.7444055760863826
Energy: 1.7613814397736889
Energy: 1.7612238387111108
Energy: 1.77305632763164
Energy: 1.7621120000446604
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Energy: 1.761223838717301
Energy: 1.7730563276385178
Energy: 1.7621120000487875
Energy: 1.7600569986372359
Energy: 1.5502203962900674
Energy: 1.7964793815530926
Energy: 1.7629406123605191
Energy: 1.761910740698917
Energy: 1.7252005166136615
Energy: 1.760056998639612
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Energy: 1.7964793815565316
Energy: 1.762940612357768
Energy: 1.5467221821641135
Energy: 1.6968519830245925
Energy: 1.655899418652705
Energy: 1.735972838786607
Energy: 1.8860535919204917
Energy: 1.702085501835576
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Energy: 1.696851983019465
Energy: 1.6558994186537677
Energy: 1.7359728387759774
Energy: 1.7742817662459025
Energy: 1.5504681648085885
Energy: 1.9662162207826357
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Energy: 1.822542242164056
Energy: 1.7742817662500292
Energy: 1.5504681648040866
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Energy: 1.7753297000435417
Energy: 1.8015763059672787
Energy: 1.7625089714535631
Energy: 1.7763238176884735
Energy: 1.8028222849316726
Energy: 1.8237626023336044
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Energy: 1.8015763059552732
Energy: 1.762508971454626
Energy: 1.7763238176815956
Energy: 1.724695027458054
Energy: 1.8869055537456467
Energy: 1.6285680870713255
Energy: 1.7637144618577736
Energy: 1.754361654243734
Energy: 1.7812496683752634
Energy: 1.7246950274529267
Energy: 1.8869055537473975
Energy: 1.6285680870775157
Energy: 1.763714461854022
Energy: 1.7272428740118808
Energy: 1.6034788804636853
Energy: 1.6771848561140614
Energy: 1.6084374078577617
Energy: 1.7263076334665788
Energy: 1.8856109988695724
Energy: 1.7272428740163825
Energy: 1.6034788804668116
Energy: 1.677184856123628
Energy: 1.6084374078584496
Energy: 1.8225637308576264
Energy: 1.9464120133350427
Energy: 1.6139548259644174
Energy: 1.9833888725350795
Energy: 1.7310184264012476
Energy: 1.7615813802596643
Energy: 1.8225637308517486
Energy: 1.9464120133350427
Energy: 1.6139548259657932
Energy: 1.9833888725347044
Energy: 1.8235434084570905
Energy: 1.824297281956842
Energy: 1.9724142817067076
Energy: 1.7614321772087131
Energy: 1.8527147837897104
Energy: 1.762191075139893
Energy: 1.8235434084615925
Energy: 1.8242972819637198
Energy: 1.9724142817135855
Energy: 1.7614321772055865
Energy: 1.723400986908993
Energy: 1.7359020923294157
Energy: 1.8866543838292136
Energy: 1.7287715242307713
Energy: 1.7630994826578623
Energy: 1.7535643007130308
Energy: 1.7234009869031155
Energy: 1.735902092328353
Energy: 1.8866543838339656
Energy: 1.7287715242358983
Energy: 1.760848992959524
Energy: 1.7299827344860597
Energy: 1.7830948203825483
Energy: 1.5490380406586468
Energy: 1.5455552760048943
Energy: 1.7633851651729768
Energy: 1.760848992957461
Energy: 1.729982734485747
Energy: 1.7830948203931778
Energy: 1.5490380406558957
Energy: 1.7722223133133945
Energy: 1.8228277484390811
Energy: 1.8215503443599985
Energy: 1.5492891449771975
Energy: 1.7622886067783745
Energy: 1.726964772235727
Energy: 1.772222313304078
Energy: 1.8228277484404565
Energy: 1.8215503443634375
Energy: 1.5492891449713826

minimum gb energy = 1.2666872343572575 eV
minimum distance =  2.57133170761661 Angstroms
sigma value = 185


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

Energy: 2.3869841126948756
Energy: 2.5796077357985894
Energy: 2.590294178294635
Energy: 0.6468820148278248
Energy: 2.5897904458484797
Energy: 2.4354770782496615
Energy: 2.386984112704265
Energy: 2.579607735792874
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Energy: 2.4599929446351676
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Energy: 2.1954691907861186
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Energy: 2.3890616284639346
Energy: 1.0249942275308468
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Energy: 2.468832789877084
Energy: 2.390688542651815
Energy: 2.5475226400830033
Energy: 2.397056045632395
Energy: 2.4066353525140296
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Energy: 2.4688327898746345
Energy: 2.3906885426530393
Energy: 2.547522640082595
Energy: 2.3445232133429132
Energy: 2.2861761999478856
Energy: 2.4410604959823448
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Energy: 2.409056923295931
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Energy: 2.2861761999470693
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Energy: 2.393976362843152
Energy: 2.56059149144938
Energy: 2.4026912608737945
Energy: 2.2924879083348086
Energy: 2.5796077358022638
Energy: 2.590294178290145
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Energy: 2.560591491446522
Energy: 2.464756198745381
Energy: 2.2924879083348086
Energy: 2.4055279759975927
Energy: 2.3906340637453054
Energy: 2.409056923300421
Energy: 2.4684521028474373
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Energy: 2.390634063752245
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Energy: 2.468452102838048
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Energy: 2.339645456600033
Energy: 2.337194892821522
Energy: 2.369028887268561
Energy: 2.392213269976713
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Energy: 2.578012508825941
Energy: 2.3396454566008495
Energy: 2.3371948928264206
Energy: 2.3690288872689695
Energy: 2.2539269119858583
Energy: 2.395954402478861
Energy: 2.415837517214627
Energy: 2.4719069194909165
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Energy: 2.2539269119923895
Energy: 2.3959544024857635
Energy: 2.4158375172097277
Energy: 2.471906919487242
Energy: 2.3646629069658114
Energy: 2.4958956414871016
Energy: 2.334902782320192
Energy: 2.325247498684473
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Energy: 2.427536887104985
Energy: 2.364662906969486
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Energy: 2.3252474986836567
Energy: 2.3495455893959454
Energy: 2.3900203677733467
Energy: 2.468964173355986
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Energy: 2.559950301689027
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Energy: 2.349545589393496
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Energy: 2.4689641733486383
Energy: 2.359701221105792
Energy: 2.4356693902423125
Energy: 2.4901645903874976
Energy: 2.438475628099546
Energy: 2.4017396055526685
Energy: 2.4807713959686684
Energy: 2.571614792907965
Energy: 2.43566939024068
Energy: 2.4901645903895386
Energy: 2.43847562809873
Energy: 2.401739605550219
Energy: 2.454239617244249
Energy: 2.4755010196979628
Energy: 1.9746876826284792
Energy: 2.4221211342874867
Energy: 2.4280424499686863
Energy: 2.2426456822249263
Energy: 2.454239617249519
Energy: 2.475501019700004
Energy: 1.9746876826243969
Energy: 2.4221211342891196
Energy: 1.0249942292201615
Energy: 2.3900924139764763
Energy: 2.347084148613867
Energy: 2.1954691907906088
Energy: 2.3406348430904487
Energy: 2.3890616284655675
Energy: 1.0249942336751725
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Energy: 2.347084148613867
Energy: 2.1954691907942827
Energy: 2.3811568838558483
Energy: 2.3970560456409307
Energy: 2.3395896907976863
Energy: 2.560669243391814
Energy: 2.344333004958791
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Energy: 2.397056045636032
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Energy: 2.5606692433914056
Energy: 2.489658556625437
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Energy: 2.393615814475008
Energy: 2.386984112647559
Energy: 2.579607735792466
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Energy: 0.5559573060275877
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Energy: 2.1878487755395044
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Energy: 2.579607735783893
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Energy: 0.5559585319055427
Energy: 2.459992944635984
Energy: 2.4705039052320625
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Energy: 2.4093101242665402
Energy: 2.3443330049591995
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Energy: 2.502023058687354
Energy: 2.382714293347363
Energy: 2.3362610593999333
Energy: 2.2521911751869896
Energy: 2.4977278966132404
Energy: 2.4967057470874305
Energy: 2.502023058683271
Energy: 2.382714293348587
Energy: 2.33626105940769
Energy: 2.25219117518005
Energy: 2.3252474986869225
Energy: 2.2414674114701567
Energy: 2.427536887112333
Energy: 2.364662906966628
Energy: 0.6653761227855394
Energy: 2.3842487183517784
Energy: 2.3252474986856972
Energy: 2.241467411471381
Energy: 2.4275368871004943
Energy: 2.3646629069658114
Energy: 2.5729576093539257
Energy: 2.559950301687802
Energy: 2.439184542842059
Energy: 2.3495455893885966
Energy: 2.366438913794907
Energy: 2.4527263498101486
Energy: 2.5729576093482103
Energy: 2.5599503016902516
Energy: 2.4391845428432832
Energy: 2.349545589393496
Energy: 2.3828259608612075
Energy: 2.56989243257865
Energy: 2.571802554190292
Energy: 2.5697557013635945
Energy: 2.4901645903858647
Energy: 2.438475628104445
Energy: 2.3828259608583497
Energy: 2.5698924325794668
Energy: 2.571802554187842
Energy: 2.569755701361554
Energy: 2.4221211342866704
Energy: 2.446994456397908
Energy: 2.2431877118511916
Energy: 2.454239617241391
Energy: 2.4755010196991876
Energy: 1.974687682626846
Energy: 2.422121134288304
Energy: 2.4469944563950503
Energy: 2.243187711852417
Energy: 2.4542396172479233
Energy: 2.19546919079265
Energy: 2.34063484309943
Energy: 2.3890616284635264
Energy: 1.024994238530913
Energy: 2.390092413972394
Energy: 2.3470841486171325
Energy: 2.195469190791834
Energy: 2.340634843100246
Energy: 2.3890616284631183
Energy: 1.0249942372092617
Energy: 2.560669243390181
Energy: 2.468832789875043
Energy: 2.3906885426587543
Energy: 2.547522640085861
Energy: 2.397056045634436
Energy: 2.4066353525152544
Energy: 2.5606692433922222
Energy: 2.4688327898758593
Energy: 2.3906885426571214
Energy: 2.5475226400756554
Energy: 2.3445232133371983
Energy: 2.2861761999478856
Energy: 2.4410604959786704
Energy: 2.4125263278569715
Energy: 2.409056923297564
Energy: 2.3669729786446987
Energy: 2.344523213343322
Energy: 2.2861761999438035
Energy: 2.441060495982753
Energy: 2.412526327855747

minimum gb energy = 0.5559573060275877 eV
minimum distance =  2.47226257716688 Angstroms
sigma value = 33


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

Energy: 2.1969897703885
Energy: 2.4020649199652464
Energy: 2.264773672942611
Energy: 2.6270571995514267
Energy: 2.264778094452975
Energy: 2.3375957674983714
Energy: 2.1969897704019052
Energy: 2.402064919945117
Energy: 2.2647736729448513
Energy: 2.627057199544704
Energy: 2.5289349352510726
Energy: 2.291371318000766
Energy: 2.2649563182629717
Energy: 2.288239189667452
Energy: 2.2737051504081585
Energy: 2.2705606655893305
Energy: 2.5289349352600365
Energy: 2.291371317991801
Energy: 2.2649563182674544
Energy: 2.2882391896629697
Energy: 2.3979454514273777
Energy: 2.2457671500022363
Energy: 2.262018521706672
Energy: 2.3579700081182535
Energy: 2.2734387219398293
Energy: 2.2795713991776894
Energy: 2.3979454514296186
Energy: 2.245767150008919
Energy: 2.262018521708913
Energy: 2.357970008124976
Energy: 2.242513496633188
Energy: 2.2452917400602472
Energy: 2.244364796047184
Energy: 2.229098855964482
Energy: 2.3062356810239977
Energy: 2.481935606583459
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Energy: 2.244364796053907
Energy: 2.229098855968964
Energy: 2.244626037400291
Energy: 2.246188355417609
Energy: 2.2652829323947135
Energy: 2.4818221767882287
Energy: 2.2540245364669027
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Energy: 2.2446260373913267
Energy: 2.246188355426573
Energy: 2.2652829324014365
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Energy: 2.54208540064303
Energy: 2.2452426325606916
Energy: 2.2728376594098303
Energy: 2.2807653984860243
Energy: 2.273351401017751
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Energy: 2.5420854006407887
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Energy: 2.4208695197851204
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Energy: 2.2736240740736786
Energy: 2.289863617613604
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Energy: 2.3379253961789126
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Energy: 2.289863617611363
Energy: 2.231772205876672
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Energy: 2.3979036231549964
Energy: 2.246148469930903
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Energy: 2.357891930825467
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Energy: 2.2451560664173
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Energy: 2.2865608560166595
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Energy: 2.2752573542905408
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Energy: 2.2444333160698426
Energy: 2.246428162070089
Energy: 2.327936516459393
Energy: 2.478922155852582
Energy: 2.2752573542927816
Energy: 2.2321100212691745
Energy: 2.2444333160810475
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Energy: 2.2734000601955966
Energy: 2.271555557860584
Energy: 2.35470653766647
Energy: 2.245211060479241
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Energy: 2.279597518328199
Energy: 2.2734000601933553
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Energy: 2.354706537668711
Energy: 2.2452110604814823
Energy: 2.273282729433189
Energy: 2.2858939445675115
Energy: 2.264275361252016
Energy: 2.327545247349864
Energy: 2.47569389821473
Energy: 2.2769786985450686
Energy: 2.2732827294399116
Energy: 2.2858939445630297
Energy: 2.2642753612632207
Energy: 2.3275452473342173
Energy: 2.2646125352567608
Energy: 2.400393303866719
Energy: 2.2645680730711613
Energy: 2.422346314795122
Energy: 2.1488369328345156
Energy: 2.237915741457179
Energy: 2.264612535247797
Energy: 2.4003933038533134
Energy: 2.2645680730868487
Energy: 2.4223463147996043
Energy: 2.264845531170956
Energy: 2.2892640547108605
Energy: 2.2734557212149844
Energy: 2.289913036926075
Energy: 2.2525396967386335
Energy: 2.272627775421616
Energy: 2.2648455311664737
Energy: 2.289264054699655
Energy: 2.2734557212149844
Energy: 2.289913036935039
Energy: 2.3226443339925513
Energy: 2.3269948471288644
Energy: 2.2733950044123503
Energy: 2.281773409073647
Energy: 2.217887055349492
Energy: 2.246759208323837
Energy: 2.322644333990311
Energy: 2.3269948471288644
Energy: 2.2733950044145907
Energy: 2.2817734090669233
Energy: 2.3157275014189804
Energy: 2.4222900802991476
Energy: 2.286535577602341
Energy: 2.231834973485183
Energy: 2.497060879361129
Energy: 2.245012049473413
Energy: 2.315727501416739
Energy: 2.4222900802969063
Energy: 2.2865355775911356
Energy: 2.231834973494106
Energy: 2.2798453051177683
Energy: 2.3952425075049364
Energy: 2.2751288178241507
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Energy: 2.897588481442926
Energy: 2.260849617402259
Energy: 2.232100567919517
Energy: 2.232463305022039
Energy: 2.231060921164782

minimum gb energy = 2.1488369328345156 eV
minimum distance =  2.51550440994673 Angstroms
sigma value = 219


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

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Energy: 1.749348832519803
Energy: 1.746922421745153
Energy: 3.2381385293605507
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Energy: 1.7470762273736073
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Energy: 1.746831652688933
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Energy: 1.867557825793925
Energy: 1.7488314269698795
Energy: 1.746831652688933
Energy: 1.7550932382031026
Energy: 1.7463163457308482
Energy: 1.9726192655543116

minimum gb energy = 1.5498379116932774 eV
minimum distance =  2.54700833063767 Angstroms
sigma value = 15


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

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Energy: 1.1150806958633692
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minimum gb energy = 0.5831435336819721 eV
minimum distance =  2.50629445376829 Angstroms
sigma value = 293


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

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Energy: 2.4208375974129765
Energy: 2.730068029965242
Energy: 2.7232308517097916
Energy: 2.614913056420034
Energy: 2.570601465288647
Energy: 2.628163343419461
Energy: 2.5434107419612193
Energy: 2.6726601831648016
Energy: 2.5433400072316408
Energy: 2.5905338001303906
Energy: 2.5706014652879774
Energy: 2.6281633434197964
Energy: 2.5434107419612193
Energy: 2.672660183137666
Energy: 2.4207517119991318
Energy: 2.6195491018427575
Energy: 2.5438532315052242
Energy: 2.6149099711967025
Energy: 2.7232671480253563
Energy: 2.730027773315689
Energy: 2.4207517119991318
Energy: 2.6195491018427575
Energy: 2.543853231507569
Energy: 2.6149099711980424
Energy: 2.6505153157463166
Energy: 2.420305185724167
Energy: 2.72233717183738
Energy: 2.554549769603937
Energy: 2.6250316277133585
Energy: 2.493626316956661
Energy: 2.6505153157466514
Energy: 2.4203051857251414
Energy: 2.7223371718347
Energy: 2.554549769603602
Energy: 2.704615469957733
Energy: 2.420438585643994
Energy: 2.5094984207909627
Energy: 2.7046591501750004
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Energy: 2.5538822536069627
Energy: 2.7046154699587386
Energy: 2.4204385856449986
Energy: 2.5094984207909627
Energy: 2.7046591501770103
Energy: 2.5448831420990254
Energy: 2.8895225371294484
Energy: 2.7610594547696654
Energy: 2.4616610543887982
Energy: 2.6534605108034106
Energy: 2.537703093744521
Energy: 2.5448831420996956
Energy: 2.889522537130119
Energy: 2.7610594547700007
Energy: 2.461661054391143
Energy: 2.5732812488158308
Energy: 2.5437180431193975
Energy: 2.504523611880713
Energy: 2.72538358173976
Energy: 2.5595994048060513
Energy: 2.6372897539808693
Energy: 2.5732812488151606
Energy: 2.5437180431190627
Energy: 2.504523611881048
Energy: 2.7253835817407652
Energy: 2.554310875602824
Energy: 2.577519014323366
Energy: 2.49570767647196
Energy: 2.714471548854258
Energy: 2.393162517528512
Energy: 2.74499183566058
Energy: 2.5543108756071793
Energy: 2.5775190143240363
Energy: 2.49570767647196
Energy: 2.714471548853923
Energy: 2.5534841004187956
Energy: 2.7509568764352794
Energy: 2.7509489874248696
Energy: 2.5545703716646306
Energy: 2.5416132112794494
Energy: 2.541494536806132
Energy: 2.553484100419131
Energy: 2.75095687643059
Energy: 2.7509489874225244
Energy: 2.5545703716666406
Energy: 2.6640306224972172
Energy: 2.495800240178557
Energy: 2.577699618105201
Energy: 2.554176083402665
Energy: 2.7449734300240154
Energy: 2.393106616078691
Energy: 2.6640306224938675
Energy: 2.495800240178557
Energy: 2.577699618104531
Energy: 2.554176083401995
Energy: 2.725334833886417
Energy: 2.5045065303055405
Energy: 2.5437293807061723
Energy: 2.573292937186611
Energy: 2.6372261558337446
Energy: 2.5598512307881744
Energy: 2.725334833885747
Energy: 2.5045065303058753
Energy: 2.543729380704497
Energy: 2.573292937184601
Energy: 2.461667663025043
Energy: 2.7607052596996144
Energy: 2.889522537129113
Energy: 2.544725817010188
Energy: 2.53772506422623
Energy: 2.653460510735434
Energy: 2.4616676630270535
Energy: 2.760705259699279
Energy: 2.8895225371287783
Energy: 2.5447258170111926
Energy: 2.704664762769512
Energy: 2.509411215121794
Energy: 2.4204530645657814
Energy: 2.704651785658839
Energy: 2.5535845691740895
Energy: 2.642268196253091
Energy: 2.7046647627675022
Energy: 2.509411215121794
Energy: 2.420453064567121
Energy: 2.704651785661184

minimum gb energy = 1.987840596479232 eV
minimum distance =  2.50177841557137 Angstroms
sigma value = 293


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

Energy: 1.5702553750482044
Energy: 1.843112002769228
Energy: 1.8413914407940137
Energy: 2.410612629000568
Energy: 1.841388554102168
Energy: 1.8959312181963557
Energy: 1.57025537504881
Energy: 1.8431120027698338
Energy: 1.8413914407921972
Energy: 2.643569479796912
Energy: 1.8417148766116842
Energy: 2.657093232270302
Energy: 1.841316362721342
Energy: 2.0142495729559204
Energy: 2.791076387643405
Energy: 1.841887961915389
Energy: 1.8417148766128952
Energy: 3.0966240090227624
Energy: 1.8413163627207365
Energy: 1.8955563839890495
Energy: 1.895347077266218
Energy: 1.567712692100872
Energy: 2.8514697094807695
Energy: 1.565207840849382
Energy: 1.9045104317191082
Energy: 1.8427654601888457
Energy: 1.8953470772656122
Energy: 1.5677126920990556
Energy: 2.851469709479558
Energy: 1.5652078408481709
Energy: 2.8514833257258334
Energy: 1.5668083047742656
Energy: 1.895580564176206
Energy: 1.8427004789978625
Energy: 1.9044961227704964
Energy: 1.5658021794892516
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Energy: 1.5668083047754766
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Energy: 1.8427004789984682
Energy: 1.8413164162005569
Energy: 2.6910174040355637
Energy: 1.8418987698469236
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Energy: 2.5308500258676623
Energy: 1.8413164161999513
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Energy: 1.8418987698457125
Energy: 1.8419322507005857
Energy: 1.8413885540991406
Energy: 2.013821433703557
Energy: 1.57025537504881
Energy: 1.843112002769228
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Energy: 2.2229737725587033
Energy: 1.841388554102168
Energy: 1.8959312181957502
Energy: 1.57025537504881
Energy: 1.843112002770439
Energy: 2.7910763876409828
Energy: 1.841887961914178
Energy: 1.8417148766122897
Energy: 2.55567020265522
Energy: 1.841316362721342
Energy: 1.9664995596016506
Energy: 2.7910763876440106
Energy: 1.841887961915389
Energy: 1.8417148766128952
Energy: 2.5903085728494384
Energy: 1.9045104317209247
Energy: 1.8427654601894514
Energy: 1.8953470772668233
Energy: 1.5677126921002664
Energy: 2.8514697094807695
Energy: 1.565207840849382
Energy: 1.9045104317185026
Energy: 1.8427654601882402
Energy: 1.8953470772656122
Energy: 1.5677126921002664
Energy: 1.904496122769891
Energy: 1.5658021794910681
Energy: 2.851483325725228
Energy: 1.566808304774871
Energy: 1.8955805641756007
Energy: 1.8427004789978625
Energy: 1.9044961227704964
Energy: 1.5658021794892516
Energy: 2.8514833257264387
Energy: 1.5668083047760821
Energy: 2.7910347288514137
Energy: 2.5308500258676623
Energy: 1.8413164161993458
Energy: 3.096624009020368
Energy: 1.8418987698469236
Energy: 1.8419322507005857
Energy: 2.7910347288514137
Energy: 2.5308500258688733
Energy: 1.8413164161993458
Energy: 2.691017404036169
Energy: 1.8413914407921972
Energy: 2.4158159549362215
Energy: 1.8413885540991406
Energy: 1.937851965569659
Energy: 1.570255375047599
Energy: 1.843112002769228
Energy: 1.8413914407952248
Energy: 2.415815954938038
Energy: 1.841388554102168
Energy: 1.895931218196961
Energy: 1.8413163627219473
Energy: 1.9664995596010453
Energy: 2.7910763876409828
Energy: 1.8418879619135726
Energy: 1.8417148766128952
Energy: 2.5556702026527978
Energy: 1.841316362721342
Energy: 1.8955563839902603
Energy: 2.791076387643405
Energy: 1.8418879619147834
Energy: 2.851469709479558
Energy: 1.5652078408487764
Energy: 1.904510431720319
Energy: 1.8427654601894514
Energy: 1.895347077266218
Energy: 1.567712692100872
Energy: 2.8514697094807695
Energy: 1.565207840849382
Energy: 1.904510431717897
Energy: 1.8427654601888457
Energy: 1.8955805641749952
Energy: 1.8427004789990735
Energy: 1.904496122769891
Energy: 1.5658021794916734
Energy: 2.851483325725228
Energy: 1.5668083047754766
Energy: 1.8955805641743897
Energy: 1.8427004789978625
Energy: 1.9044961227704964
Energy: 1.5658021794892516
Energy: 1.8418987698457125
Energy: 1.8419322507005857
Energy: 2.7910347288514137
Energy: 2.530850025868268
Energy: 1.8413164161999513
Energy: 3.096624009020973
Energy: 1.8418987698469236
Energy: 1.8419322507005857
Energy: 2.7910347288514137
Energy: 2.530850025868268
Energy: 1.57025537504881
Energy: 1.8431120027710446
Energy: 1.8413914407928027
Energy: 2.6837996419710444
Energy: 1.8413885540985349
Energy: 1.8959312181963557
Energy: 1.570255375047599
Energy: 1.8431120027698338
Energy: 1.8413914407946192
Energy: 2.6837996419692276
Energy: 1.8417148766128952
Energy: 2.479299077703479
Energy: 1.841316362721342
Energy: 1.895556383987233
Energy: 2.7910763876415885
Energy: 1.841887961914178
Energy: 1.8417148766128952
Energy: 2.4792990777065063
Energy: 1.8413163627207365
Energy: 1.8955563839878384
Energy: 1.8953470772650067
Energy: 1.5677126920996611
Energy: 2.851469709479558
Energy: 1.5652078408487764
Energy: 1.904510431720319
Energy: 1.8427654601894514
Energy: 1.8953470772668233
Energy: 1.5677126921002664
Energy: 2.8514697094801638
Energy: 1.565207840849382
Energy: 2.8514833257258334
Energy: 1.5668083047754766
Energy: 1.895580564176206
Energy: 1.8427004789990735
Energy: 1.904496122769891
Energy: 1.5658021794910681
Energy: 2.8514833257258334
Energy: 1.566808304774871
Energy: 1.8955805641780228
Energy: 1.8427004789978625
Energy: 1.8413164161999513
Energy: 3.0966240090227624
Energy: 1.8418987698457125
Energy: 1.8419322507005857
Energy: 2.7910347288514137
Energy: 2.5308500258676623
Energy: 1.8413164162005569
Energy: 3.0966240090227624
Energy: 1.8418987698475289
Energy: 1.8419322506999802
Energy: 1.8413885541027735
Energy: 1.8959312181975665
Energy: 1.57025537504881
Energy: 1.8431120027698338
Energy: 1.8413914407921972
Energy: 2.6837996419692276
Energy: 1.8413885540991406
Energy: 1.8959312181975665
Energy: 1.570255375047599
Energy: 1.8431120027698338
Energy: 2.791076387643405
Energy: 1.8418879619147834
Energy: 1.8417148766128952
Energy: 2.479299077701662
Energy: 1.841316362721342
Energy: 1.8955563839878384
Energy: 2.7910763876409828
Energy: 1.8418879619135726
Energy: 1.8417148766128952
Energy: 2.479299077704084

minimum gb energy = 1.5652078408481709 eV
minimum distance =  2.59229934238187 Angstroms
sigma value = 15


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

Energy: 2.053611918678829
Energy: 1.6914792625875168
Energy: 1.9518353945142561
Energy: 2.0524510178550366
Energy: 1.9517821938978965
Energy: 2.146676362547016
Energy: 2.053611918678829
Energy: 1.691479262584772
Energy: 1.9518353945115114
Energy: 2.052451014837153
Energy: 1.9600957058336212
Energy: 2.2000892292643535
Energy: 1.9562018714500393
Energy: 2.1366416340718244
Energy: 2.1818594164484706
Energy: 2.03672732843941
Energy: 1.9600957058391109
Energy: 2.200089229258864
Energy: 1.9562018714472944
Energy: 2.136641634074569
Energy: 2.261221104958989
Energy: 1.859554974839683
Energy: 2.137946473753587
Energy: 2.2218148120354804
Energy: 1.8464659638778746
Energy: 2.3169067520050657
Energy: 2.261221104961734
Energy: 1.859554974839683
Energy: 2.1379464737508416
Energy: 2.2218148120354804
Energy: 2.40897569063506
Energy: 1.858989767747561
Energy: 2.136923784266683
Energy: 1.7886284894575732
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Energy: 2.40897569063506
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Energy: 1.58035611694453
Energy: 2.45664530906914
Energy: 1.984268562628226
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Energy: 1.8445913748306022
Energy: 1.5803561169390905
Energy: 0.6231250316866003
Energy: 1.9842685626309708
Energy: 1.9282632706048732
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Energy: 2.3010258174022553
Energy: 2.1225783394952455
Energy: 1.7923116662584018
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Energy: 1.7923116662556575
Energy: 2.201244664952646
Energy: 1.6251653955378451
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Energy: 1.7951024173003853
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Energy: 2.3711499180241553
Energy: 1.7368051543219865
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Energy: 1.8549665699058226
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Energy: 1.7368051543192415
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Energy: 2.0420177066188363
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Energy: 2.2704739721215663
Energy: 1.9559809254751588
Energy: 1.860834470757555
Energy: 2.1025840697895775
Energy: 1.7430113215720227
Energy: 2.0518592172670567
Energy: 1.9568886102830902
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Energy: 1.860834470757555
Energy: 2.102584069786833
Energy: 1.7430113215692777
Energy: 2.0518592172588224
Energy: 2.0873270690680177
Energy: 2.198061553329479
Energy: 1.6309477422844583
Energy: 1.8716511350338574
Energy: 1.728390905238078
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Energy: 2.0873270690680177
Energy: 2.1980615533267343
Energy: 1.6309477422844583
Energy: 1.8716511350311125
Energy: 2.0864584108509043
Energy: 2.109788556038631
Energy: 2.1466725884910707
Energy: 1.9012201859223823
Energy: 2.1782320826651205
Energy: 2.0888270407851417
Energy: 2.0864584108481594
Energy: 2.109788556038631
Energy: 2.1466725884965605
Energy: 1.9012201859196374
Energy: 1.894932414932689
Energy: 1.6387120027993678
Energy: 2.370128022889178
Energy: 1.5769809468176954
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Energy: 1.6387120028021125
Energy: 2.370128022889178
Energy: 1.576980946814951
Energy: 1.7888723130046842
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Energy: 1.8524216707882653
Energy: 2.143367339314895
Energy: 2.183148768328998
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Energy: 1.7888723130046842
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Energy: 2.0285221017126585
Energy: 2.3766765682196414
Energy: 1.4984147212716605
Energy: 1.9562384703494007
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Energy: 1.8897796914878346
Energy: 2.0285221017126585
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Energy: 1.4984147212689158
Energy: 1.9562384703494007
Energy: 1.843034445970989
Energy: 2.221256885668556
Energy: 2.368089157386071
Energy: 2.2251178561176093
Energy: 1.7450365672189936
Energy: 2.176990009657377
Energy: 1.8430344459682444
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Energy: 2.3680891573888156
Energy: 2.2251178561230986
Energy: 2.152736949160865
Energy: 1.954131511479668
Energy: 1.8164369109173362
Energy: 1.6544377415635434
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Energy: 2.156011101957482
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Energy: 1.5775392193842737
Energy: 1.8443490454988916
Energy: 1.8462589430581577
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Energy: 2.3087757285663604
Energy: 2.0366382096825313
Energy: 2.177132305096391
Energy: 1.9038609935123891
Energy: 2.289195516933106
Energy: 1.794193700385279
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Energy: 1.9038609935123891
Energy: 1.8151566527488723
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Energy: 2.3223866462388143
Energy: 1.579986341561939
Energy: 2.2081366387121553
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Energy: 2.042274530506413
Energy: 1.9838055969657888
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Energy: 2.087900818633698
Energy: 2.0293009219253757
Energy: 2.258331966766161
Energy: 2.214353357178754
Energy: 2.1916483965989295
Energy: 1.746346046458408
Energy: 1.7483172954439559
Energy: 1.7364133291088426
Energy: 2.37092929128195
Energy: 2.214353357178754
Energy: 2.1916483965989295
Energy: 1.746346046458408
Energy: 1.7483172954412112
Energy: 2.214784835612726
Energy: 1.895972897466162
Energy: 1.8913566259544248
Energy: 2.1788221205279714
Energy: 1.6255832498051888
Energy: 2.2210459396365527
Energy: 2.214784835612726
Energy: 1.895972897466162
Energy: 1.8913566259544248
Energy: 2.1788221205197376
Energy: 1.8240613773042094
Energy: 2.086774599632555
Energy: 2.3080071599457908
Energy: 1.8617991994352847
Energy: 2.3199993806773764
Energy: 1.754480275494492
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Energy: 2.0867745996352993
Energy: 2.3080071599457908
Energy: 1.8617991994352847
Energy: 1.9480982998194036
Energy: 1.7629732383443104
Energy: 2.3302663626576954
Energy: 1.7896832640772113
Energy: 2.3703352910011635
Energy: 1.751267518774507
Energy: 1.9480982998194036
Energy: 1.7629732383525445
Energy: 2.3302663626604407
Energy: 1.7896832640772113
Energy: 1.745449318566925
Energy: 1.8951157501944738
Energy: 2.089010547627607
Energy: 1.8925042620710888
Energy: 1.636328410966377
Energy: 2.506136886376228
Energy: 1.745449318566925
Energy: 1.8951157501944738
Energy: 2.089010547627607
Energy: 1.8925042620738335
Energy: 2.034687501459859
Energy: 2.0337654441639628
Energy: 2.2217425285131154
Energy: 2.128307063781276
Energy: 1.6415518323694425
Energy: 2.260602811807733
Energy: 2.034687501451625
Energy: 2.0337654441639628
Energy: 2.2217425285185546
Energy: 2.1283070637840207
Energy: 1.745907595585359
Energy: 2.470614200197639
Energy: 1.844262439978009
Energy: 1.7902189919108118
Energy: 1.9628850643936935
Energy: 2.0283642512935263
Energy: 1.745907595585359
Energy: 2.470614200197639
Energy: 1.8442624399725198
Energy: 1.790218991908067
Energy: 1.6911647218350874
Energy: 2.1470453647224312
Energy: 2.1554898968334895
Energy: 1.789608844354179
Energy: 1.9780614373234515
Energy: 1.9457464232493602
Energy: 1.6911647218350874
Energy: 2.1470453647224312
Energy: 2.1554898968334895
Energy: 1.789608844354179
Energy: 2.1921368424538317
Energy: 1.8253833138809135
Energy: 2.1367826854937064
Energy: 1.8428661380456959
Energy: 1.8437077849096446
Energy: 2.049873468268809
Energy: 2.1921368424538317
Energy: 1.825383313875424
Energy: 2.136782685490961
Energy: 1.8428661380429512
Energy: 1.5832080975865288
Energy: 1.95696995023931
Energy: 2.221818358017868
Energy: 2.3520951096749068
Energy: 2.294643685502253
Energy: 2.158141116673376
Energy: 1.5832080975865288
Energy: 1.95696995023931
Energy: 2.221818358015124
Energy: 2.3520951096749068
Energy: 1.5814305935870123
Energy: 2.369524154644166
Energy: 1.957074429650511
Energy: 2.3545215589131767
Energy: 2.0355254854430056
Energy: 2.2620614771036247
Energy: 1.581430593589757
Energy: 2.369524154646911
Energy: 1.957074429647766
Energy: 2.354521558915921
Energy: 2.192409986381104
Energy: 1.6785193416970852
Energy: 2.22548180286309
Energy: 1.842529315719978
Energy: 2.1366100445139184
Energy: 2.1475953486201678
Energy: 2.1924099863838484
Energy: 1.6785193416943405
Energy: 2.225481802860345
Energy: 1.842529315719978
Energy: 2.299495491148444
Energy: 1.4999552811203047
Energy: 1.9780227402341681
Energy: 1.7893276560150337
Energy: 2.288204647165193
Energy: 1.8331182441156406
Energy: 2.299495491145699
Energy: 1.4999552811230494
Energy: 1.9780227402341681
Energy: 1.7893276560150337
Energy: 1.8979152604535086
Energy: 2.0310687598664043
Energy: 2.4666681391768965
Energy: 2.2817851179021273
Energy: 1.8437492179460646
Energy: 2.4727649230542883
Energy: 1.8979152604535086
Energy: 2.0310687598664043
Energy: 2.4666681391741516
Energy: 2.2817851178993824
Energy: 1.5773554143723902
Energy: 2.2993408236697044
Energy: 2.110837499218261
Energy: 2.398837710636984
Energy: 2.2232247060931716
Energy: 2.4693874703733383
Energy: 1.5773554143723902
Energy: 2.29934082366696
Energy: 2.110837499218261
Energy: 2.3988377106424728
Energy: 2.098280842419436
Energy: 2.2556188077219073
Energy: 1.6350601126859363
Energy: 1.8919857117692276
Energy: 2.087138016635404
Energy: 2.2798199312625855
Energy: 2.0982808424249253
Energy: 2.255618807719163
Energy: 1.635060112688681
Energy: 1.8919857117719723
Energy: 1.8709655202146092
Energy: 1.743048655985303
Energy: 2.36968885039823
Energy: 1.9570247996256631
Energy: 1.8940711533560821
Energy: 1.730378189439484
Energy: 1.8709655202146092
Energy: 1.743048655982558
Energy: 2.3696888503927402
Energy: 1.9570247996201737
Energy: 2.4575211128314205
Energy: 1.6282805246708052
Energy: 2.2343241925000785
Energy: 1.853521101733207
Energy: 2.308940297342685
Energy: 2.0872245369790905
Energy: 2.4575211128259316
Energy: 1.6282805246680605
Energy: 2.2343241925000785
Energy: 1.8535211017359516
Energy: 1.8548690360639322
Energy: 1.8954527788280457
Energy: 1.626630770006979
Energy: 1.8921784063463554
Energy: 1.8918192100437787
Energy: 1.8959058935660682
Energy: 1.8548690360666769
Energy: 1.8954527788280457
Energy: 1.626630770006979
Energy: 1.892178406343611
Energy: 1.9582763824771505
Energy: 2.370073535750751
Energy: 1.7431175270537929
Energy: 1.8713607724331338
Energy: 1.7277030729644038
Energy: 1.8949236515120387
Energy: 1.9582763824771505
Energy: 2.370073535745262
Energy: 1.7431175270537929
Energy: 1.8713607724331338
Energy: 2.208456096084483
Energy: 1.64756597532129
Energy: 2.2724285759387057
Energy: 2.4236382083931094
Energy: 2.0259683699466167
Energy: 2.086774993222129
Energy: 2.208456096084483
Energy: 1.6475659753240348
Energy: 2.27242857594145
Energy: 2.4236382083958548
Energy: 1.8178277863267356
Energy: 2.1238670959585093
Energy: 1.948983498419468
Energy: 1.5783946355608256
Energy: 2.0845985729293868
Energy: 2.0301597232893998
Energy: 1.817827786323991
Energy: 2.1238670959612547
Energy: 1.9489834984222127
Energy: 1.5783946355635705
Energy: 2.3069653775376837
Energy: 2.144715733100909
Energy: 2.0917717190115086
Energy: 1.9012031892854726
Energy: 2.4726945728568728
Energy: 2.0357727827582766
Energy: 2.3069653775349392
Energy: 2.1447157331063984
Energy: 2.091771719014253
Energy: 1.9012031892882175
Energy: 1.7889039918715242
Energy: 1.9784350658113443
Energy: 1.498901556039946
Energy: 2.0591709978974047
Energy: 1.730435140754803
Energy: 1.9278264589051124
Energy: 1.7889039918742689
Energy: 1.9784350658168337
Energy: 1.4989015560344567
Energy: 2.0591709978974047
Energy: 1.8429375641555643
Energy: 1.9296966109853504
Energy: 1.852195357895899
Energy: 1.8498257399704165
Energy: 2.1507110533980964
Energy: 1.845263586981501
Energy: 1.8429375641555643
Energy: 1.9296966109880949
Energy: 1.852195357895899
Energy: 1.8498257399649272
Energy: 2.355885986408852
Energy: 1.9536762391746054
Energy: 2.369570989709306
Energy: 1.5794547124734435
Energy: 2.26482209333242
Energy: 1.8444066197240396
Energy: 2.3558859864115966
Energy: 1.9536762391691158
Energy: 2.369570989706561
Energy: 1.579454712470699

minimum gb energy = 0.6231250316866003 eV
minimum distance =  2.5788460075502 Angstroms
sigma value = 437


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

Energy: 1.709376157632484
Energy: 1.7965356759874613
Energy: 2.04756862666732
Energy: 2.4438921311085275
Energy: 2.04305804887096
Energy: 1.6893182502281625
Energy: 1.7093761576354838
Energy: 1.7965356759854614
Energy: 2.04756862666632
Energy: 2.4438921401819935
Energy: 1.8127101878962195
Energy: 2.098367328020872
Energy: 2.1964009880486053
Energy: 2.0348126233166255
Energy: 2.240982763818859
Energy: 2.1869329803146775
Energy: 1.8127101878962195
Energy: 2.0983673280238717
Energy: 2.196400988044606
Energy: 2.0348126233146258
Energy: 1.765059276435064
Energy: 1.824020452050271
Energy: 2.023541287595382
Energy: 1.7559962315722568
Energy: 2.0425055828154988
Energy: 1.788740708527421
Energy: 1.765059276435064
Energy: 1.824020452051271
Energy: 2.023541287594382
Energy: 1.7559962315732567
Energy: 1.9690074975753742
Energy: 1.8167716828523157
Energy: 2.0438272859160964
Energy: 2.0423923016789605
Energy: 2.1981257710660884
Energy: 2.182191857194963
Energy: 1.969007497574374
Energy: 1.8167716828563156
Energy: 2.0438272859140967
Energy: 2.04239230168096
Energy: 1.7589730590606854
Energy: 2.322535556167388
Energy: 2.0174495373345964
Energy: 2.0452823700735396
Energy: 1.8278328579396304
Energy: 2.155114232843128
Energy: 1.7589730590566854
Energy: 1.829991762092594
Energy: 2.0174495373335963
Energy: 2.04528237006554
Energy: 1.7598497150990031
Energy: 1.9117821579242456
Energy: 1.9480829033762346
Energy: 2.388759401829189
Energy: 1.7909347994226905
Energy: 2.6676950892618367
Energy: 1.7598497150920036
Energy: 1.9117821579242456
Energy: 1.9480829033712348
Energy: 2.3887594018311886
Energy: 1.943665535540605
Energy: 1.8307963336468516
Energy: 2.1279521489187916
Energy: 2.028078625114086
Energy: 2.0080319324096942
Energy: 1.8246233415114215
Energy: 1.943665535538605
Energy: 1.8307963336478514
Energy: 2.1279521489227915
Energy: 2.028078625116086
Energy: 2.0507384036410317
Energy: 1.8117576701107079
Energy: 2.047558674030198
Energy: 2.040865435926191
Energy: 2.027740772000107
Energy: 1.7904515311528355
Energy: 2.0507384036470317
Energy: 1.8117576701077083
Energy: 2.047558674032198
Energy: 2.0408654359281906
Energy: 1.7532428736305008
Energy: 2.0341110724055462
Energy: 2.1812292841324483
Energy: 2.03741424020885
Energy: 2.049535253489984
Energy: 2.1125097893992537
Energy: 1.7532428736335006
Energy: 2.0341110724045466
Energy: 2.181229284129449
Energy: 2.0374142402048503
Energy: 1.4924992907709809
Energy: 1.6674877946491984
Energy: 1.947362491849655
Energy: 2.408048303998526
Energy: 2.1951320025241516
Energy: 2.127710067918656
Energy: 1.492499290761027
Energy: 1.667487794652198
Energy: 1.9473624918546548
Energy: 2.4080483040005256
Energy: 2.0874099335592176
Energy: 2.0137235072140016
Energy: 2.016982537020134
Energy: 2.0426156443636008
Energy: 2.0030078205615345
Energy: 1.8103028391151776
Energy: 2.0874099335602176
Energy: 2.0137235072140016
Energy: 2.0169825370161343
Energy: 2.0426156443586008
Energy: 2.0049923588562217
Energy: 1.8274637318150835
Energy: 2.3478913468389577
Energy: 1.8130930503222662
Energy: 2.3525804546667994
Energy: 1.8096825580788254
Energy: 2.0049923588582215
Energy: 1.8274637318180833
Energy: 2.347891346836958
Energy: 1.8130930503222662
Energy: 1.962257589909409
Energy: 1.8283954005534484
Energy: 2.167191791029588
Energy: 2.042867372400997
Energy: 2.197033624557318
Energy: 2.1818970468036376
Energy: 1.9622575899064094
Energy: 1.8283954005534484
Energy: 2.167191791027588
Energy: 2.042867372400997
Energy: 1.5961346437289774
Energy: 2.1356245275877113
Energy: 2.0398380002842926
Energy: 2.5437459774171782
Energy: 1.9491216062475065
Energy: 1.8196344539822709
Energy: 1.596134643732977
Energy: 2.1356245275827113
Energy: 2.0398380002852923
Energy: 2.543745977414179

minimum gb energy = 1.492499290761027 eV
minimum distance =  2.55075854791497 Angstroms
sigma value = 33