Model name: model_name=MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_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=3.167413122951984
cohesive_energy=6.817913822056273
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: 0.01942076761582355
Energy: 0.020079529973770376
Energy: 0.020308250940478032
Energy: 2.9391360324920055
Energy: 0.020308250942360943
Energy: 0.020079529973770376
Energy: 0.01942076761582355
Energy: 0.020079529973770376
Energy: 0.020308250942360943
Energy: 1.822784292471043
Energy: 1.4844021426839016
Energy: 0.020486625858022352
Energy: 0.020212246856838437
Energy: 1.4751516943616931
Energy: 0.020212246856838437
Energy: 0.020486625858022352
Energy: 1.4844021426820189
Energy: 0.02048662585990526
Energy: 0.020212246856838437
Energy: 1.4751516943522784
Energy: 0.01942076761582355
Energy: 0.020079529973770376
Energy: 0.020308250940478032
Energy: 2.939136032490165
Energy: 0.020308250942360943
Energy: 0.020079529975653283
Energy: 0.01942076761582355
Energy: 0.020079529973770376
Energy: 0.020308250942360943
Energy: 1.822784292471043
Energy: 1.4844021426820189
Energy: 0.02048662585990526
Energy: 0.020212246856838437
Energy: 1.4751516943616931
Energy: 0.020212246856838437
Energy: 0.020486625858022352
Energy: 1.4844021426839016
Energy: 0.02048662585990526
Energy: 0.020212246856838437
Energy: 1.4751516943616931
Energy: 0.019420767613940647
Energy: 0.020079529973770376
Energy: 0.020308250940478032
Energy: 2.994042647289115
Energy: 0.020308250942360943
Energy: 0.020079529973770376
Energy: 0.01942076761582355
Energy: 0.020079529973770376
Energy: 0.020308250942360943
Energy: 1.822784292467277
Energy: 1.4844021426839016
Energy: 0.02048662585990526
Energy: 0.020212246856838437
Energy: 1.4751516943616931
Energy: 0.020212246856838437
Energy: 0.020486625858022352
Energy: 1.4844021426839016
Energy: 0.02048662585990526
Energy: 0.020212246856838437
Energy: 1.4751516943579275
Energy: 0.01942076761582355
Energy: 0.020079529973770376
Energy: 0.020308250940478032
Energy: 2.7683826420608715
Energy: 0.020308250942360943
Energy: 0.020079529973770376
Energy: 0.01942076761582355
Energy: 0.020079529973770376
Energy: 0.020308250942360943
Energy: 1.8227842924691602

minimum gb energy = 0.019420767613940647 eV
minimum distance =  2.45199306489532 Angstroms
sigma value = 3


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

Energy: 2.288096060547319
Energy: 2.1218934328142804
Energy: 2.136243070946761
Energy: 2.249834707683256
Energy: 2.135018762633681
Energy: 2.19418216567759
Energy: 2.288096060547319
Energy: 2.121893432815203
Energy: 2.1362430709522955
Energy: 2.249834707678644
Energy: 2.1739872220096554
Energy: 2.184033094135865
Energy: 2.1358356605458257
Energy: 2.0984497467199055
Energy: 2.1304208890464835
Energy: 2.159034354762042
Energy: 2.1739872220147287
Energy: 2.184033094139094
Energy: 2.1358356605421362
Energy: 2.098449746715293
Energy: 2.3259821799866622
Energy: 2.1609290322382377
Energy: 2.0885985624920194
Energy: 2.1576628125445074
Energy: 2.1068220992961786
Energy: 2.166955235444048
Energy: 2.325982179996809
Energy: 2.1219962963543386
Energy: 2.088598562498015
Energy: 2.1576628125417403
Energy: 2.1445845104774794
Energy: 2.1296405369374707
Energy: 2.1118427098540193
Energy: 2.1157575524119623
Energy: 2.1019073362883725
Energy: 2.1265889465693615
Energy: 2.1445845104931607
Energy: 2.1296405369370097
Energy: 2.111842709853558
Energy: 2.1157575524216474
Energy: 2.1114266143538196
Energy: 2.110438621115646
Energy: 2.1104241569974387
Energy: 2.1011240913038947
Energy: 2.1066510622778827
Energy: 2.1265467777110363
Energy: 2.111426614346901
Energy: 2.110438621116107
Energy: 2.1104241569946716
Energy: 2.101124091319115
Energy: 2.113881839432365
Energy: 2.088981263619621
Energy: 2.1103593982378834
Energy: 2.111631055118252
Energy: 2.1267090215534257
Energy: 2.18104560672633
Energy: 2.113881839433749
Energy: 2.0889812636173155
Energy: 2.1103593982341935
Energy: 2.1116310551136404
Energy: 2.1427588993811564
Energy: 2.111377049286083
Energy: 2.1399150647381764
Energy: 2.1015906298605165
Energy: 2.117416762802411
Energy: 2.1206212802773075
Energy: 2.14275889938254
Energy: 2.1113770492934627
Energy: 2.139915064732642
Energy: 2.101590629848986
Energy: 2.153804885774675
Energy: 2.136409092228602
Energy: 2.23647203539496
Energy: 2.100841999486863
Energy: 2.1540888721174465
Energy: 2.1893155378070963
Energy: 2.153804885774213
Energy: 2.1364090922129204
Energy: 2.236472035401878
Energy: 2.100841999488247
Energy: 2.1836812176096623
Energy: 2.135963464848092
Energy: 2.099395532669876
Energy: 2.157097564571565
Energy: 2.1784111286037358
Energy: 2.1879354595443217
Energy: 2.183681217601361
Energy: 2.135963464850398
Energy: 2.0993955327293725
Energy: 2.1570975645798667
Energy: 2.211949149173864
Energy: 2.1077996331729856
Energy: 2.26210117731625
Energy: 2.119180220717449
Energy: 2.1223748016580535
Energy: 2.2443149626556904
Energy: 2.21194914916464
Energy: 2.1077996331748308
Energy: 2.2621011773088706
Energy: 2.1191802207404677
Energy: 2.1318956760626993
Energy: 2.130091372918715
Energy: 2.1548388318567855
Energy: 2.1016779501359473
Energy: 2.1662234358520465
Energy: 2.1558102592716026
Energy: 2.1318956760557812
Energy: 2.1300913729058424
Energy: 2.1548388318540184
Energy: 2.1016779501258003
Energy: 2.1157020251629297
Energy: 2.1061463709621195
Energy: 2.126386924908141
Energy: 2.1008390367237966
Energy: 2.114587796978724
Energy: 2.1259901633544045
Energy: 2.115702025161546
Energy: 2.1061463709658095
Energy: 2.1263869248938425
Energy: 2.1008390367141105
Energy: 2.113426578667875
Energy: 2.1019694575792727
Energy: 2.133322393232434
Energy: 2.1009804945830606
Energy: 2.1234052743147136
Energy: 2.1022836180905946
Energy: 2.1134265786729483
Energy: 2.1019694575677423
Energy: 2.1333223932407357
Energy: 2.100980494589517
Energy: 2.101173633576211
Energy: 2.134330211340302
Energy: 2.10167699420046
Energy: 2.111603756781946
Energy: 2.1021964738747543
Energy: 2.123570458882862
Energy: 2.101173633564261
Energy: 2.1343302113352287
Energy: 2.101676994204611
Energy: 2.1116037567967054
Energy: 2.101643055603857
Energy: 2.12625308573115
Energy: 2.106411706345854
Energy: 2.1154187566857248
Energy: 2.1259177594138867
Energy: 2.1176900988240646
Energy: 2.1016430556103143
Energy: 2.126253085726538
Energy: 2.106411706340781
Energy: 2.1154187566880305
Energy: 2.1015829810029936
Energy: 2.15454754165362
Energy: 2.1301495032943625
Energy: 2.1597229163181835
Energy: 2.117144790567309
Energy: 2.1816743789300834
Energy: 2.1015829809993036
Energy: 2.154547541638861
Energy: 2.1301495033049704
Energy: 2.1597229163241796
Energy: 2.131320378486372
Energy: 2.220272468407166
Energy: 2.1069738431881615
Energy: 2.307566764820644
Energy: 2.244868359596953
Energy: 2.2066093363561823
Energy: 2.1313203784859107
Energy: 2.2202724683984028
Energy: 2.106973843182627
Energy: 2.307566764811881
Energy: 2.1807353274096366
Energy: 2.313414233065876
Energy: 2.135822395043213
Energy: 2.107872516929359
Energy: 2.200345964639055
Energy: 2.19303444998615
Energy: 2.180735327401796
Energy: 2.313414233079209
Energy: 2.135822395043213
Energy: 2.1078725169316654
Energy: 2.1010994536340535
Energy: 2.2268611720246057
Energy: 2.13540930088229
Energy: 2.132816912983294
Energy: 2.1894561830162633
Energy: 2.156352585124461
Energy: 2.101099453630825
Energy: 2.226861172027373
Energy: 2.1354093008671113
Energy: 2.1328169129869834
Energy: 2.10140436279876
Energy: 2.143159591911681
Energy: 2.11200986092532
Energy: 2.115764599102947
Energy: 2.1081563356046966
Energy: 2.141450887763025
Energy: 2.1014043628172088
Energy: 2.1431595919310515
Energy: 2.1120098609137896
Energy: 2.115764599100641
Energy: 2.1117756010744926
Energy: 2.1103803893212993
Energy: 2.0886009312807037
Energy: 2.1159959669923127
Energy: 2.18135577848156
Energy: 2.1264875260479807
Energy: 2.1117756010735698
Energy: 2.1103803893328292
Energy: 2.0886009312903893
Energy: 2.115995967008917
Energy: 2.101375264806821
Energy: 2.10997808005519
Energy: 2.110379430978601
Energy: 2.111322763110153
Energy: 2.133919960070379
Energy: 2.10640549731917
Energy: 2.1013752648105104
Energy: 2.109978080067601
Energy: 2.110379430978601
Energy: 2.1113227631179936
Energy: 2.1155843384199104
Energy: 2.111839546975314
Energy: 2.1275458296133425
Energy: 2.113648472392272
Energy: 2.126754088594048
Energy: 2.1027320243929073
Energy: 2.115584338422678
Energy: 2.111839546971163
Energy: 2.1275458296022736
Energy: 2.113648472392733
Energy: 2.1679820051430694
Energy: 2.0885237354040984
Energy: 2.1612534053985777
Energy: 2.108988838906642
Energy: 2.123402638715785
Energy: 2.107889544841787
Energy: 2.167982005155984
Energy: 2.088523735401792
Energy: 2.161253405413798
Energy: 2.108988838907565
Energy: 2.156927371279453
Energy: 2.135742212642125
Energy: 2.110062855370522
Energy: 2.1015257993957923
Energy: 2.1326282083108277
Energy: 2.1301911129366546
Energy: 2.1569273712854486
Energy: 2.135742212641202
Energy: 2.1100628553792427
Energy: 2.1015257993962537
Energy: 2.2480239081350146
Energy: 2.134867762230231
Energy: 2.178529651418267
Energy: 2.245732508532529
Energy: 2.179833451889247
Energy: 2.1362430709522955
Energy: 2.248023908129019
Energy: 2.1348677622283856
Energy: 2.1785296514214956
Energy: 2.2457325085297617
Energy: 2.0984497464243925
Energy: 2.130420889043716
Energy: 2.1590343547777233
Energy: 2.173987222017035
Energy: 2.1840330941257187
Energy: 2.1358356605532056
Energy: 2.0984497464290044
Energy: 2.1304208890372593
Energy: 2.159034354762503
Energy: 2.1739872220041203
Energy: 2.167982005143531
Energy: 2.1068220993026356
Energy: 2.141322709699953
Energy: 2.3259821799931197
Energy: 2.149196005107894
Energy: 2.0885985624998598
Energy: 2.1679820051569063
Energy: 2.1068220992989466
Energy: 2.1669552354398967
Energy: 2.3259821799931197
Energy: 2.1157575524198027
Energy: 2.101907336287911
Energy: 2.1265729480507964
Energy: 2.1445845104737895
Energy: 2.1296405369453115
Energy: 2.1118427098480237
Energy: 2.1157575524193413
Energy: 2.1019073362856053
Energy: 2.126572948037463
Energy: 2.144584510487626

minimum gb energy = 2.088523735401792 eV
minimum distance =  2.40553129885783 Angstroms
sigma value = 75


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

Energy: 2.92482743932026
Energy: 2.3003389695497707
Energy: 2.267312709917309
Energy: 2.3807676468430476
Energy: 2.2746535484462735
Energy: 2.476729209961341
Energy: 2.9248274393157585
Energy: 2.3003389695452694
Energy: 2.267312709912808
Energy: 2.3807676468340455
Energy: 2.442712388321817
Energy: 2.2118292829349984
Energy: 2.2567776866177205
Energy: 2.390925270098963
Energy: 2.2109598078254673
Energy: 2.4066239564926057
Energy: 2.442712388324068
Energy: 2.2176512680225287
Energy: 2.2567776866132605
Energy: 2.302843320202028
Energy: 2.237816268259452
Energy: 2.217088814379546
Energy: 2.2526809741040354
Energy: 2.2257460709787007
Energy: 2.268395625630422
Energy: 2.2359922750252603
Energy: 2.237816268259452
Energy: 2.2170888143817966
Energy: 2.2526809741040354
Energy: 2.225746070987703
Energy: 2.353338356756279
Energy: 2.309948577344243
Energy: 2.252389875354645
Energy: 2.2259522555939535
Energy: 2.2254200788265486
Energy: 2.2565122657009997
Energy: 2.3533383567585298
Energy: 2.3099485773487443
Energy: 2.252389875356896
Energy: 2.2259522555939535
Energy: 2.2168845873089826
Energy: 2.240423346123816
Energy: 2.360228328672165
Energy: 2.2108474618951504
Energy: 2.240592640188586
Energy: 2.2522585213639763
Energy: 2.2168845873112333
Energy: 2.2404233461193153
Energy: 2.360228328669914
Energy: 2.210847461897401
Energy: 2.4083236244541215
Energy: 2.3246676193252456
Energy: 2.299351103631076
Energy: 2.262837903616002
Energy: 2.4145004883928682
Energy: 2.2579394741172036
Energy: 2.4083236244496202
Energy: 2.3246676193252456
Energy: 2.2993511036288257
Energy: 2.2628379036205026
Energy: 2.491298755834506
Energy: 2.3301953723918154
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Energy: 2.2987937565313135
Energy: 2.231592091777421
Energy: 2.4912987558367568
Energy: 2.330195372394066
Energy: 2.301466872330448
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Energy: 2.4065183320531154
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Energy: 2.5904055015607836
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Energy: 2.2575950094564603
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Energy: 2.2406417388558775
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Energy: 2.2526726676200353
Energy: 2.225220062405314
Energy: 2.3044818757657266
Energy: 2.236228230389117
Energy: 2.2406417388581277
Energy: 2.2168548355889084
Energy: 2.2526726676222855
Energy: 2.2548412102622195
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Energy: 2.2853907515593046
Energy: 2.2535100801126897
Energy: 2.2421292866572813
Energy: 2.225920217901759
Energy: 2.25484121026447
Energy: 2.2436679353482125
Energy: 2.2853907515593046
Energy: 2.253510080105938
Energy: 2.232212935511665
Energy: 2.304018908013756
Energy: 2.237804671773537
Energy: 2.4747937193981357
Energy: 2.2111783932837588
Energy: 2.2856778563068
Energy: 2.2322129393065846
Energy: 2.304018908013756
Energy: 2.2378046717802884
Energy: 2.474793719395885
Energy: 2.4807592379610655
Energy: 2.407746634910658
Energy: 2.3281183790836653
Energy: 2.3247798394172503
Energy: 2.2120899838798667
Energy: 2.412069755159921
Energy: 2.480759237956565
Energy: 2.407746634906157
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Energy: 2.482264907541152
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Energy: 2.4513759020117982
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Energy: 2.3584887935165635
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Energy: 2.4596994673022423
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Energy: 2.246811170024425
Energy: 2.2981251850337667
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Energy: 2.312194437111731
Energy: 2.261162172563998
Energy: 2.227019885218483
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Energy: 2.304833424075338
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Energy: 2.293993756571027
Energy: 2.257478440747466
Energy: 2.3348363869043256
Energy: 2.352430288682107
Energy: 2.2985476136371883
Energy: 2.257769595264755
Energy: 2.293993756562025
Energy: 2.257478440742965
Energy: 2.3348363868975746
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Energy: 2.242635628660927
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Energy: 2.353058039821874
Energy: 2.4978415693919698
Energy: 2.256411342206878
Energy: 2.4071879156498985
Energy: 2.2426356286631774
Energy: 2.2070646497162656
Energy: 2.353058039817373
Energy: 2.2851583242825497
Energy: 2.2113556424898695
Energy: 2.406508046352701
Energy: 2.237656060149014
Energy: 2.304833424075338
Energy: 2.231622894307909
Energy: 2.2851583242825497
Energy: 2.2113556424898695
Energy: 2.406508046361703
Energy: 2.2376560601467634
Energy: 2.2252792972322526
Energy: 2.242955164523129
Energy: 2.252332322231555
Energy: 2.2380139977322573
Energy: 2.3058932717247798
Energy: 2.256554123230496
Energy: 2.225279297227752
Energy: 2.24295516452763
Energy: 2.2523323222383067
Energy: 2.2380139977255062
Energy: 2.2417259173405553
Energy: 2.2255641668958233
Energy: 2.2518779855496116
Energy: 2.305192248779402
Energy: 2.2371216666716447
Energy: 2.2677864032530084
Energy: 2.2417259173405553
Energy: 2.2255641668958233
Energy: 2.25187798554286
Energy: 2.3051922487816525
Energy: 2.459147164884383
Energy: 2.297599556543182
Energy: 2.275433364724323
Energy: 2.266546947102617
Energy: 2.217375458741446
Energy: 2.4066462536582724
Energy: 2.4591471648776317
Energy: 2.2975995565409315
Energy: 2.275433364724323
Energy: 2.2665469471115784
Energy: 2.1952353600193435
Energy: 2.486340108990341
Energy: 2.2577204134423834
Energy: 2.46624323517353
Energy: 2.333211634660321
Energy: 2.332831621315956
Energy: 2.1952353600193435
Energy: 2.5112203011797387
Energy: 2.257720413435632
Energy: 2.4662432351847414
Energy: 2.480666629756669
Energy: 2.4080310036706294
Energy: 2.2622419781999956
Energy: 2.3047844913895927
Energy: 2.276643266986727
Energy: 2.4974314335852545
Energy: 2.480666629754418
Energy: 2.4080310036706294
Energy: 2.2622419781999956
Energy: 2.304784491385092
Energy: 2.235783669495228
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minimum gb energy = 2.1952353600193435 eV
minimum distance =  2.34066225793389 Angstroms
sigma value = 105


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

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Energy: 2.2863496383537196
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Energy: 2.197336359769045
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Energy: 2.4936985338530278
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Energy: 2.4950999488049788
Energy: 2.3353991813635093
Energy: 2.2562711804533007
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Energy: 2.3289433626596696
Energy: 2.3913512650655653
Energy: 2.494671680104615
Energy: 2.333816685646465
Energy: 2.2562711804533007
Energy: 2.286492421624063
Energy: 2.3289433626606852
Energy: 2.3913512650640416
Energy: 2.1883564985857897
Energy: 2.286665361770501
Energy: 2.3291360154553904
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Energy: 2.4600392678414535
Energy: 2.2041338823352485
Energy: 2.1883564985862973
Energy: 2.2866653617687
Energy: 2.3291360154553904
Energy: 2.1957191233470126
Energy: 2.204109974444261
Energy: 2.304766644821955
Energy: 2.2166707687938847
Energy: 2.3556286598446343
Energy: 2.3351310573541015
Energy: 2.204161150644815
Energy: 2.204109974444261
Energy: 2.3047666448204778
Energy: 2.216670768793376
Energy: 2.355628659845881
Energy: 2.195599772802744
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Energy: 2.2170888289813253
Energy: 2.329194328692359
Energy: 2.2867019221805442
Energy: 2.3549170918229856
Energy: 2.1955997728007137
Energy: 2.3048647019816237
Energy: 2.217088828981833
Energy: 2.329194328691066

minimum gb energy = 2.1857471278308385 eV
minimum distance =  2.41334940762867 Angstroms
sigma value = 165


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

Energy: 2.2653213500769858
Energy: 2.3351146185686376
Energy: 2.2348573196780532
Energy: 2.309474365867347
Energy: 2.2349525497325144
Energy: 2.33515384934819
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Energy: 2.309474365943138
Energy: 2.3154285725145045
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Energy: 2.4522748973705686
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Energy: 2.0863516697957327
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Energy: 2.1107614297492407
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Energy: 2.452274897368825
Energy: 2.2627236839961555
Energy: 2.110881651815885
Energy: 2.2115492820056284
Energy: 2.4622805969486663
Energy: 2.110511772232458
Energy: 2.5079521382115573
Energy: 2.2788054848860826
Energy: 2.1108816518167566
Energy: 2.2115492820038853
Energy: 2.4622805969486663
Energy: 2.110511772232458
Energy: 2.4070396557709275
Energy: 2.234406613176173
Energy: 2.3621492190721876
Energy: 2.31542399458594
Energy: 2.1105250341859243
Energy: 2.0864291179188084
Energy: 2.407039655772671
Energy: 2.2344066131735576
Energy: 2.362149219073059
Energy: 2.3154239945850685
Energy: 2.2386328033014293
Energy: 2.2349525497333858
Energy: 2.3351538493473187
Energy: 2.2653213500778575
Energy: 2.3351146185712524
Energy: 2.2348573196797967
Energy: 2.3094743659858072
Energy: 2.2349525497325144
Energy: 2.335153849349062
Energy: 2.2653213500778575

minimum gb energy = 2.0859512787362653 eV
minimum distance =  2.36620368346849 Angstroms
sigma value = 41


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

Energy: 2.8526382745708703
Energy: 2.2158184648472172
Energy: 2.0998198228507463
Energy: 2.12350420719854
Energy: 2.099497467042366
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Energy: 2.099469122276453
Energy: 2.1897739277190618
Energy: 2.1478850605176603
Energy: 2.180161157849435
Energy: 2.1158991436722396
Energy: 2.312273037530907
Energy: 2.670035370522665
Energy: 2.1942614535568863
Energy: 2.0998076877818965
Energy: 2.187747300804844
Energy: 2.0995139454631753
Energy: 2.312273037533612
Energy: 2.67003537052537
Energy: 2.1942614535393012
Energy: 2.0998076877927176
Energy: 2.051158702313705
Energy: 2.1485358154267047
Energy: 2.189164087255858
Energy: 2.0995255791995526
Energy: 2.2751275057486415
Energy: 2.115793362565123
Energy: 2.0511587023238502
Energy: 2.148535815432116
Energy: 2.1891640872524762
Energy: 2.0995255792083456
Energy: 2.259301699399502
Energy: 2.1503487569190045
Energy: 2.1523483426955408
Energy: 2.3226854777331924
Energy: 2.1162236780333314
Energy: 2.1172428344950998
Energy: 2.259301699399502
Energy: 2.1503487569088593
Energy: 2.1523483427023042
Energy: 2.3226854777230472
Energy: 2.099556148868177
Energy: 2.1911348190957995
Energy: 2.2149385102751022
Energy: 2.0512425608902483
Energy: 2.1157112235251314
Energy: 2.23715451514195
Energy: 2.0995561488583387
Energy: 2.191134819092418
Energy: 2.2149385102801444
Energy: 2.051242560886867
Energy: 2.0996249513961054
Energy: 2.358218756112643
Energy: 2.759955776237535
Energy: 2.190679784750953
Energy: 2.0999233549546776
Energy: 2.32433274572274
Energy: 2.099624951396474
Energy: 2.3582187561167016
Energy: 2.759955776235506
Energy: 2.1906797847550115
Energy: 2.1160476279086944
Energy: 2.2498173066894425
Energy: 2.215801943200022
Energy: 2.2194727421383638
Energy: 2.0996402676166372
Energy: 2.2819793492990055
Energy: 2.1160476279019305
Energy: 2.249817306696206
Energy: 2.215801943207831
Energy: 2.219472742155273
Energy: 2.1160827273655194
Energy: 2.328211872090595
Energy: 2.1533614174192093
Energy: 2.1453637611081904
Energy: 2.3503542801012207
Energy: 2.1172729374985533
Energy: 2.1160827273756646
Energy: 2.328211872087213
Energy: 2.1533614174124462
Energy: 2.1453637610980456
Energy: 2.325389400961376
Energy: 2.0997283154898594
Energy: 2.343315925073758
Energy: 2.1102657536465133
Energy: 2.051416797235681
Energy: 2.1201616557589222
Energy: 2.325389400961376
Energy: 2.0997283154885062
Energy: 2.34331592507714
Energy: 2.1102657536465133
Energy: 2.146222972434975
Energy: 2.0996046708827305
Energy: 2.1483106772757585
Energy: 2.1478732206592275
Energy: 2.1788896957772677
Energy: 2.282002580450451
Energy: 2.146222972434975
Energy: 2.099604670869879
Energy: 2.1483106772730536
Energy: 2.14787322066636
Energy: 2.1520499969917823
Energy: 2.116160831551852
Energy: 2.183807844309862
Energy: 2.1474228509161706
Energy: 2.320741669036192
Energy: 2.103921382986926
Energy: 2.1520499969816367
Energy: 2.1161608315450886
Energy: 2.183807844309862
Energy: 2.147422850913465

minimum gb energy = 2.000782910923838 eV
minimum distance =  2.47440430922382 Angstroms
sigma value = 185


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

Energy: 2.44162177028387
Energy: 2.07965751619154
Energy: 2.4719408411103463
Energy: 2.4115060731247904
Energy: 2.472513392675346
Energy: 2.211522332606694
Energy: 2.4416217702826652
Energy: 2.0796575161963573
Energy: 2.471940841109142
Energy: 2.3092488286555617
Energy: 2.514107542112483
Energy: 2.2521681266124536
Energy: 1.9587347122677434
Energy: 1.9874766225901017
Energy: 1.9651533341272638
Energy: 2.1547786858934863
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Energy: 1.958734712272962
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Energy: 2.0134323969529633
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Energy: 2.4413351435998303
Energy: 1.9653247329418597
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Energy: 1.9589706315928956
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Energy: 1.9867914949031922
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Energy: 1.9079078009535102
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Energy: 1.9867914949072065
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Energy: 1.966001035975097
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Energy: 2.119096366177602
Energy: 1.965371133431114
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Energy: 2.4453706207984895
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Energy: 2.0460059365976075
Energy: 1.9653711334283037
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Energy: 1.9653219551160273
Energy: 2.3419811476885135
Energy: 2.4723797201759283
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Energy: 1.9871889554618691
Energy: 1.9587425414198212
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Energy: 1.9085243179991556
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Energy: 1.9871889554666866
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Energy: 2.0375319518880217
Energy: 1.9590180897980867
Energy: 1.9862400239770799
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Energy: 2.568861809492429
Energy: 1.90827102816468
Energy: 2.040467456849407
Energy: 1.9590180897992913
Energy: 1.9862400239770799
Energy: 1.9653823342227288
Energy: 2.5688618094904223
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Energy: 2.5683842187993426
Energy: 1.9652495061281916
Energy: 2.0785806161156555
Energy: 2.014635108848474
Energy: 1.9651954640964737
Energy: 2.469012536181335
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Energy: 1.965249506126987
Energy: 2.078580616118867
Energy: 1.9876782891480598
Energy: 1.958642045507795
Energy: 2.2640857832344343
Energy: 2.476561428433101
Energy: 2.1757684864068674
Energy: 1.9650956812192901
Energy: 1.987678289150067
Energy: 1.9586420455081965
Energy: 2.2640857832328285
Energy: 2.4765614284310935
Energy: 2.5336078357698937
Energy: 2.4725942060006565
Energy: 2.207766673588211
Energy: 2.3431768385073832
Energy: 1.9227895479511277
Energy: 2.4719408411127555
Energy: 2.309248827879512
Energy: 2.472594205996241
Energy: 1.9730382381701708
Energy: 2.3431768385065803
Energy: 1.9874766225901017
Energy: 1.965153334119673
Energy: 2.1757684864044586
Energy: 2.4773655222212705
Energy: 2.2521681266104463
Energy: 1.958734712272159
Energy: 1.9874766225852842
Energy: 1.9651533341216803
Energy: 2.1757684864068674
Energy: 2.477365522221672
Energy: 2.468683703718284
Energy: 1.9652068416922297
Energy: 2.1843935734070414
Energy: 2.0134323969553716
Energy: 1.96518667583976
Energy: 2.5683842187989416
Energy: 2.468683703723904
Energy: 1.9652068416958426
Energy: 2.1843935734070414
Energy: 2.0134323969545687
Energy: 1.9589485312292445
Energy: 2.1078930914421243
Energy: 1.9082501688772626
Energy: 2.441335143600633
Energy: 1.9652857561971169
Energy: 1.9866375005552375
Energy: 1.9589485312308503
Energy: 2.1078930915312064
Energy: 1.9082501688772626
Energy: 2.4413351436054502
Energy: 2.4773064776876534
Energy: 2.4621584782143335
Energy: 1.9079078009555177
Energy: 1.9648166716840434
Energy: 1.9585536551126648
Energy: 1.9867914949084107
Energy: 2.477306477691267
Energy: 2.4621584782139316
Energy: 1.9079078009507002
Energy: 1.9648166716828392
Energy: 1.9653711334291066
Energy: 2.078237143464509
Energy: 2.445370620798088
Energy: 1.9659556973351187
Energy: 2.4721196391665927
Energy: 2.070406655855479
Energy: 1.9653711334270998
Energy: 2.0782371434580855
Energy: 2.4453706207976866
Energy: 1.9659556973387313
Energy: 2.1015715674179996
Energy: 2.4453248611921676
Energy: 2.169255954271378
Energy: 1.9653215497253214
Energy: 2.27172691132056
Energy: 2.472309551133573
Energy: 2.1855848905352655
Energy: 2.445324861189759
Energy: 2.1692559542737864
Energy: 1.9653215497237155
Energy: 2.0375319518892256
Energy: 1.9085243180015643
Energy: 2.4615388789725823
Energy: 2.477442927574316
Energy: 1.9869130322078221
Energy: 1.9586931882619407
Energy: 2.037531951892036
Energy: 1.908524317995141
Energy: 2.4615388789669623
Energy: 2.4774429275715057
Energy: 2.568861809488013
Energy: 1.9082710281642785
Energy: 2.040467456847801
Energy: 1.9590180898065168
Energy: 1.9862400239786855
Energy: 1.9653823342195174
Energy: 2.5688618094908233
Energy: 1.9082710281654829
Energy: 2.0404674568501733
Energy: 1.959018089804911
Energy: 2.01559881529642
Energy: 2.0146351088496783
Energy: 1.9652138250972417
Energy: 2.469012536179328
Energy: 2.576072290070819
Energy: 1.9652495061306
Energy: 2.01559881529361
Energy: 2.014635108848474
Energy: 1.9652138250924245
Energy: 2.469012536178525
Energy: 2.514527597070749
Energy: 2.154778685889873
Energy: 1.965091586956046
Energy: 1.9875416983173482
Energy: 1.958749810051463
Energy: 2.263756489811974
Energy: 2.5145275970667345
Energy: 2.1547786858906766
Energy: 1.9650915869564474
Energy: 1.9875416983169467
Energy: 2.441621770284271
Energy: 2.079657516188328
Energy: 2.4719408411103463
Energy: 2.3092488270396694
Energy: 2.472513392675346
Energy: 2.211522332609906
Energy: 2.4416217702834686
Energy: 2.079657516193948
Energy: 2.471940841109544
Energy: 2.30924882761668
Energy: 2.514107542113688
Energy: 2.252168126614461
Energy: 1.9587347122681447
Energy: 1.987476622588496
Energy: 1.965153334125293
Energy: 2.154778685891479
Energy: 2.5141075421116805
Energy: 2.2521681266116507
Energy: 1.9587347122725605
Energy: 1.9874766225836784
Energy: 2.0134323969533643
Energy: 1.9651800548221965
Energy: 2.57607229007122
Energy: 2.468771266949039
Energy: 1.9652068416942368
Energy: 2.1763166031722916
Energy: 2.013432396956174
Energy: 1.965180054816978
Energy: 2.5760722900700155
Energy: 2.46877126694663
Energy: 2.4413351435990274
Energy: 1.9653247329442682
Energy: 1.986664585974893
Energy: 1.9589706315936986
Energy: 2.107893091513142
Energy: 1.9082501688716422
Energy: 2.4413351436042463
Energy: 1.9653247329402541
Energy: 1.9866645859781047
Energy: 1.9589706315920927
Energy: 1.9648166716880575
Energy: 1.9585536551086502
Energy: 1.9867914949043965
Energy: 2.4773064776860476
Energy: 2.4621584782151364
Energy: 1.907907800953109
Energy: 1.9648166716820363
Energy: 1.958553655112263
Energy: 1.9867914949100165
Energy: 2.4773064776860476
Energy: 1.9660010359759
Energy: 2.4721196391694025
Energy: 2.2798023381733183
Energy: 1.965371133431114
Energy: 2.193439919279911
Energy: 2.4453706207988906
Energy: 1.9660010359730897
Energy: 2.472119639162578
Energy: 2.12932030494633
Energy: 1.9653711334291066
Energy: 1.9653219551196404
Energy: 2.1330730794644936
Energy: 2.472379720175125
Energy: 2.185584890538076
Energy: 2.445324861186949
Energy: 2.1692559542749907
Energy: 1.9653219551180345
Energy: 2.341981147684901
Energy: 2.4723797201739215
Energy: 2.185584890537273
Energy: 2.4774429275731116
Energy: 1.987188955461468
Energy: 1.9587425414190183
Energy: 2.0375319518856125
Energy: 1.9085243179983526
Energy: 2.461538878972181
Energy: 2.4774429275707033
Energy: 1.9871889554670878
Energy: 1.9587425414226314
Energy: 2.0375319518852115
Energy: 1.9590180898008969
Energy: 1.9862400239774811
Energy: 1.965382334223933
Energy: 2.568861809491225
Energy: 1.9082710281634756
Energy: 2.0404674568417795
Energy: 1.9590180898004954
Energy: 1.9862400239758753
Energy: 1.965382334223933
Energy: 2.5688618094892175
Energy: 2.4690125361797297
Energy: 2.5683842188017514
Energy: 1.965249506129797
Energy: 2.0785806161148526
Energy: 2.0146351088436565
Energy: 1.965195464095671
Energy: 2.469012536181335
Energy: 2.5683842187997445
Energy: 1.9652495061273887
Energy: 2.0785806161184652
Energy: 1.9876782891480598
Energy: 1.9586420455057878
Energy: 2.264085783232026
Energy: 2.476561428433101
Energy: 2.1757684864064655
Energy: 1.9650956812176843
Energy: 1.9876782891484612
Energy: 1.9586420455069922
Energy: 2.2640857832328285
Energy: 2.476561428431495

minimum gb energy = 1.9079078009507002 eV
minimum distance =  2.34114828467755 Angstroms
sigma value = 33


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

Energy: 2.51834233693817
Energy: 2.1723423162333146
Energy: 2.3596601290904466
Energy: 2.590866748861982
Energy: 2.359276826265831
Energy: 2.2622196892821362
Energy: 2.518342336935966
Energy: 2.1723423162289066
Energy: 2.3596601290904466
Energy: 2.565098531793668
Energy: 2.621212381050091
Energy: 2.414013167868818
Energy: 2.0960375484139213
Energy: 2.303033288002966
Energy: 2.1417264770042705
Energy: 2.115554234188323
Energy: 2.621212381054499
Energy: 2.414013167877633
Energy: 2.0960375484095137
Energy: 2.3030332879985584
Energy: 2.185873137304217
Energy: 2.1198012730709515
Energy: 2.443840563724196
Energy: 2.5184977322466002
Energy: 2.141410557854095
Energy: 2.1542324398861505
Energy: 2.185873137304217
Energy: 2.119801273073155
Energy: 2.4438405637286036
Energy: 2.518497732248804
Energy: 2.2448579035465097
Energy: 2.1196090544134356
Energy: 2.292057617059402
Energy: 2.128783303631913
Energy: 2.4433243442222783
Energy: 2.5561851838695455
Energy: 2.2448579035398977
Energy: 2.1196090544178436
Energy: 2.292057617059402
Energy: 2.1287833036297092
Energy: 2.2922813886318782
Energy: 2.1203974682107316
Energy: 2.286820654270585
Energy: 2.5698860740281635
Energy: 2.208077972361946
Energy: 2.1291147173147826
Energy: 2.292281388636286
Energy: 2.1203974682085276
Energy: 2.286820654270585
Energy: 2.569886074032571
Energy: 2.5609701756189254
Energy: 2.1196434973037412
Energy: 2.110819794034975
Energy: 2.1548485042336103
Energy: 2.141152512195957
Energy: 2.4483819047719897
Energy: 2.560970175612314
Energy: 2.119643497310352
Energy: 2.1108197940371793
Energy: 2.1548485042424255
Energy: 2.0957710139568557
Energy: 2.472866827232513
Energy: 2.636051090506937
Energy: 2.161492121204884
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Energy: 2.3029786726747288
Energy: 2.0957710139612638
Energy: 2.47286682723035
Energy: 2.6360510905091012
Energy: 2.1614921212114955
Energy: 2.3596400892850524
Energy: 2.0891028104461853
Energy: 2.4309982979408464
Energy: 2.5115941669659514
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Energy: 2.4710620628807813
Energy: 2.3596400892828493
Energy: 2.089102810443982
Energy: 2.430998297938643
Energy: 2.5115941669681554
Energy: 2.14148782459135
Energy: 2.152631714091449
Energy: 2.6513286424953075
Energy: 2.3338130654802467
Energy: 2.1210283655296576
Energy: 2.3030628788878404
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Energy: 2.152631714091449
Energy: 2.651328642499715
Energy: 2.333813065456005
Energy: 2.14170197344502
Energy: 2.1544820842095858
Energy: 2.1859012867721743
Energy: 2.1196609716760606
Energy: 2.418918568992621
Energy: 2.519053164593939
Energy: 2.141701973442816
Energy: 2.154482084200771
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Energy: 2.1196609716760606
Energy: 2.2621218799051257
Energy: 2.3840908176224938
Energy: 2.414489823140875
Energy: 2.1197291836919847
Energy: 2.2919861154127488
Energy: 2.458483275138356
Energy: 2.262121879902922
Energy: 2.3840908176224938
Energy: 2.4144898231474863
Energy: 2.1197291836875776
Energy: 2.4551403962363274
Energy: 2.129497983669903
Energy: 2.292159139843193
Energy: 2.1202435065863354
Energy: 2.264035270220295
Energy: 2.518675424989133
Energy: 2.4551403962363274
Energy: 2.12949798367431
Energy: 2.292159139843193
Energy: 2.1202435065929066
Energy: 2.1410058642164764
Energy: 2.2261179479849322
Energy: 2.560795376902674
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Energy: 2.110836520137456
Energy: 2.154473187651116
Energy: 2.1410058642230876
Energy: 2.22611794798934
Energy: 2.5607953768938594
Energy: 2.1197271489432463
Energy: 2.141903245099112
Energy: 2.3027954173688294
Energy: 2.093333565845334
Energy: 2.494775397462348
Energy: 2.578409673967265
Energy: 2.1412262676759
Energy: 2.141903245096908
Energy: 2.302795417364422
Energy: 2.0933335658299077
Energy: 2.494775397462348
Energy: 2.3600179171800986
Energy: 2.4693740830716595
Energy: 2.3599315719401077
Energy: 2.0818427647298487
Energy: 2.4721627780741198
Energy: 2.511442560275463
Energy: 2.3600179171823026
Energy: 2.4693740830716595
Energy: 2.3599315719489224
Energy: 2.0818427647386635
Energy: 2.360423609774506
Energy: 2.3031387614015637
Energy: 2.1413593877599024
Energy: 2.152714025455365
Energy: 2.225617838065003
Energy: 2.330359028810978
Energy: 2.360423609778913
Energy: 2.303138761410379
Energy: 2.14135938776431
Energy: 2.152714025453161
Energy: 2.179884410031467
Energy: 2.5202232580550104
Energy: 2.141717412017881
Energy: 2.154394311183501
Energy: 2.188318259533817
Energy: 2.119532433379451
Energy: 2.1798844100270585
Energy: 2.5202232580550104
Energy: 2.141717412022288
Energy: 2.1543943111790935
Energy: 2.2918247843884756
Energy: 2.4574132131265927
Energy: 2.262174128366901
Energy: 2.383797011877185
Energy: 2.415899545941528
Energy: 2.1197478054829397
Energy: 2.2918247843884756
Energy: 2.4574132131287962
Energy: 2.262174128355882
Energy: 2.3837970118705734
Energy: 2.108187551887271
Energy: 2.5177910127837757
Energy: 2.4030215170990776
Energy: 2.129111631057137
Energy: 2.4213072088371836
Energy: 2.12002074591859
Energy: 2.1081875518916786
Energy: 2.5177910127793686
Energy: 2.40302151709467
Energy: 2.1291116310527296
Energy: 2.207013341948787
Energy: 2.154237972612701
Energy: 2.141466049538123
Energy: 2.2262042882400266
Energy: 2.5613942388591924
Energy: 2.1197196756837453
Energy: 2.207013341955398
Energy: 2.154237972617108
Energy: 2.141466049535919
Energy: 2.22620428824223
Energy: 2.6434741754768307
Energy: 2.1643845674817035
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Energy: 2.605222305534191
Energy: 2.302063636213933
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Energy: 2.2621848611603483
Energy: 2.1288573324094076

minimum gb energy = 2.066492459996274 eV
minimum distance =  2.4322541989612 Angstroms
sigma value = 219


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

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Energy: 2.9241962782294415
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Energy: 2.1037147528835085
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Energy: 2.1584863312091165
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Energy: 2.0327645782867627
Energy: 2.032685255117317
Energy: 2.0328485612074703
Energy: 2.0331786357485107
Energy: 2.2681877845588274

minimum gb energy = 1.9989449422876422 eV
minimum distance =  2.40938290897405 Angstroms
sigma value = 15


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

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minimum gb energy = 2.2335735641423673 eV
minimum distance =  2.36741426164394 Angstroms
sigma value = 293


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

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Energy: 2.5270883618738496
Energy: 2.4388316787199975
Energy: 2.3812576252422923
Energy: 2.299297209272615
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Energy: 2.4397009407176906
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Energy: 2.2992196504272493
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Energy: 2.4397009407176906
Energy: 2.3660745452310845
Energy: 2.376631332264827
Energy: 2.315309342340523
Energy: 2.584309614564419
Energy: 2.31300210445166
Energy: 2.415932066705566
Energy: 2.6563183267938886
Energy: 2.2651533200301754
Energy: 2.315309342340523
Energy: 2.5843096145617834
Energy: 2.313002104453637
Energy: 2.4159320667039186
Energy: 2.3148317039796606
Energy: 2.3144714143048235
Energy: 2.3111286139773357
Energy: 2.332269971273872
Energy: 2.310660270814343
Energy: 2.3633976934570984
Energy: 2.3148317039786726
Energy: 2.314471414305482
Energy: 2.311128613979971
Energy: 2.3322699712718955
Energy: 2.3003607207806813
Energy: 2.384922323623194
Energy: 2.437688351986237
Energy: 2.397199894507166
Energy: 2.4664615406171753
Energy: 2.3604329347509747
Energy: 2.3003607207783756
Energy: 2.384922323627446
Energy: 2.43768835198459
Energy: 2.3971998945084843
Energy: 2.2997062469010685
Energy: 2.4151731847140336
Energy: 2.4151731045202074
Energy: 2.299734590325061
Energy: 2.303835672559578
Energy: 2.303863478962444
Energy: 2.2997062469013976
Energy: 2.415173184715022
Energy: 2.4151731045225135
Energy: 2.2997345903263784
Energy: 2.397246067649291
Energy: 2.4378074280069617
Energy: 2.3849020890594166
Energy: 2.3003892448426333
Energy: 2.3604051206413135
Energy: 2.46630807672296
Energy: 2.39724606764995
Energy: 2.4378074280043265
Energy: 2.3849020890577695
Energy: 2.3003892448423042
Energy: 2.3324028408955972
Energy: 2.311126581583136
Energy: 2.314573567128506
Energy: 2.3148266635168606
Energy: 2.3632914517901593
Energy: 2.3108109985896776
Energy: 2.332402840894609
Energy: 2.3111265815821476
Energy: 2.3145735671281766
Energy: 2.314826663515214
Energy: 2.4159488505149462
Energy: 2.312836012148166
Energy: 2.584309614558159
Energy: 2.3152401552666726
Energy: 2.2651347028410966
Energy: 2.6563183267955357
Energy: 2.4159488505139577
Energy: 2.3128360121455303
Energy: 2.584309614557501
Energy: 2.315240155267002
Energy: 2.37668271123009
Energy: 2.3660455852065736
Energy: 2.4395968515274107
Energy: 2.443672828112997
Energy: 2.299184982382569
Energy: 2.265734172781059
Energy: 2.3766827112304196
Energy: 2.366045585205256
Energy: 2.4395968515277398
Energy: 2.4436728281097024

minimum gb energy = 2.2550889234719365 eV
minimum distance =  2.36159630266406 Angstroms
sigma value = 293


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

Energy: 2.1018824355531525
Energy: 2.0447054131174336
Energy: 2.044209002536107
Energy: 2.458394982526168
Energy: 2.0442235201529595
Energy: 2.1757204838297164
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Energy: 2.0438065875820706
Energy: 2.9642986976081427
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Energy: 2.0791879031788785
Energy: 2.079421947344945
Energy: 2.0907673911008087
Energy: 2.6021493785542993
Energy: 2.0905753571792567
Energy: 2.044033025841452
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Energy: 2.079421947340777
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Energy: 2.0438065875820706
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Energy: 2.0438065875808795
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Energy: 2.6021586477589085
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Energy: 2.0443208088292293
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Energy: 2.0438065875820706
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Energy: 2.6021493785721357
Energy: 2.0905753571774706
Energy: 2.044033025841452
Energy: 2.0649516380818915
Energy: 2.079421947344349
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Energy: 2.044033025841452
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Energy: 2.6021586477636722
Energy: 2.0907697724993413
Energy: 2.0794227219919255
Energy: 2.064948202745599
Energy: 2.0439462328213875
Energy: 2.090589244517729
Energy: 2.043803973849915
Energy: 2.044180922890676
Energy: 2.606253224607714
Energy: 2.0442892906967236
Energy: 2.044320808829825
Energy: 2.9642986976111203
Energy: 2.0438039738475333
Energy: 2.0441809228888896
Energy: 2.606253224608309
Energy: 2.044289290694937
Energy: 2.1018824355519614
Energy: 2.044705413113861
Energy: 2.0442090025331296
Energy: 2.4686245584917206
Energy: 2.044223520152364
Energy: 2.079285970558746
Energy: 2.101882435553748
Energy: 2.0447054131174336
Energy: 2.044209002536107
Energy: 2.468624558494698
Energy: 2.0438065875832616
Energy: 2.4704491102860215
Energy: 2.0443174908655832
Energy: 2.07918790318007
Energy: 2.6062464495801856
Energy: 2.044179380508323
Energy: 2.0438065875820706
Energy: 2.4704491102842354
Energy: 2.0443174908673423
Energy: 2.0791879031782834
Energy: 2.0794219473413724
Energy: 2.0907673911008087
Energy: 2.602149378587021
Energy: 2.0905753571804206
Energy: 2.0440330258432384
Energy: 2.0649516380818915
Energy: 2.079421947344945
Energy: 2.0907673911014046
Energy: 2.602149378584639
Energy: 2.0905753571774706
Energy: 2.6021586477577174
Energy: 2.0907697724975556
Energy: 2.0794227219954977
Energy: 2.0649482027444086
Energy: 2.0439462328213875
Energy: 2.090589244515943
Energy: 2.6021586477559313
Energy: 2.0907697724993413
Energy: 2.0794227219925205
Energy: 2.0649482027461947
Energy: 2.044320808828634
Energy: 2.964298697605761
Energy: 2.04380397385051
Energy: 2.0441809228900807
Energy: 2.606253224606523
Energy: 2.044289290696128
Energy: 2.0443208088280387
Energy: 2.9642986976081427
Energy: 2.0438039738481284
Energy: 2.044180922887699
Energy: 2.0442235201535546
Energy: 2.079285970559341
Energy: 2.101882435552557
Energy: 2.0447054131144564
Energy: 2.0442090025331296
Energy: 2.468624558492316
Energy: 2.044223520152364
Energy: 2.079285970559937
Energy: 2.101882435553748
Energy: 2.0447054131174336
Energy: 2.6062464495819717
Energy: 2.0441793805071327
Energy: 2.0438065875820706
Energy: 2.470449110286617
Energy: 2.0443174908667467
Energy: 2.079187903177688
Energy: 2.606246449581376
Energy: 2.044179380508323
Energy: 2.043806587581475
Energy: 2.470449110286617

minimum gb energy = 2.0438039738475333 eV
minimum distance =  2.45685380808177 Angstroms
sigma value = 15


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

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Energy: 2.3675659231682302
Energy: 2.3034221841653055
Energy: 2.2889158212681995
Energy: 2.3043733226343828
Energy: 2.468460383713531
Energy: 2.529512406351669
Energy: 2.3675659231682302
Energy: 2.303422184159907
Energy: 2.288915813522631
Energy: 2.439116007293093
Energy: 2.3898169427557066
Energy: 2.301806721828222
Energy: 2.280365260778032
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Energy: 2.280365260778032
Energy: 2.294296540482872
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Energy: 2.266125167628935
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Energy: 2.3992462303396414
Energy: 2.3196147430943124
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Energy: 2.3218528162180614
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Energy: 2.2719693576826034
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Energy: 2.321223677678966
Energy: 2.3140391987635702
Energy: 2.3166106495234993
Energy: 2.409594937926028
Energy: 2.3863795337429923
Energy: 2.445048658699372
Energy: 2.3212236776708686
Energy: 2.3140391987716673
Energy: 2.3617662434674402
Energy: 2.4468030568754355
Energy: 2.3007299125387974
Energy: 2.3164500388668405
Energy: 2.296017722839613
Energy: 2.3458846309858337
Energy: 2.3617662434755373
Energy: 2.446803056872737
Energy: 2.3007299125307
Energy: 2.3164500388695393
Energy: 2.359376934400222
Energy: 2.2907014201251954
Energy: 2.3005012267492573
Energy: 2.267662598522172
Energy: 2.278424057027377
Energy: 2.34428314130154
Energy: 2.359376934400222
Energy: 2.2907014201305937
Energy: 2.30050122674116
Energy: 2.2676625985302197
Energy: 2.5757892904686823
Energy: 2.296927634385938
Energy: 2.317950010089095
Energy: 2.274060538188434
Energy: 2.355119983815804
Energy: 2.3434538805577767
Energy: 2.5757892904686823
Energy: 2.296927634385938
Energy: 2.317950010089095
Energy: 2.274060538191133
Energy: 2.3238732019295973
Energy: 2.3623733561467817
Energy: 2.3859086438910166
Energy: 2.313687842724577
Energy: 2.28049547312844
Energy: 2.4905006337415583
Energy: 2.3238732019268973
Energy: 2.3623733561440825
Energy: 2.3859086438964145
Energy: 2.3136878427353733
Energy: 2.278225190381747
Energy: 2.3891930234891703
Energy: 2.3515645396433094
Energy: 2.340140647042555
Energy: 2.295076683117917
Energy: 2.2972132902306264
Energy: 2.278225190381747
Energy: 2.3891930234918695
Energy: 2.3515645396433094
Energy: 2.3401406463518892
Energy: 2.3757536962429686
Energy: 2.4968078937118316
Energy: 2.32083329313618
Energy: 2.3011717080112732
Energy: 2.26676736801436
Energy: 2.3397004833742883
Energy: 2.3757536962456673
Energy: 2.496807893709133
Energy: 2.320833293128083
Energy: 2.3011717080112732
Energy: 2.3669875386534196
Energy: 2.3792231829579484
Energy: 2.453163348292529
Energy: 2.319558443795316
Energy: 2.352802404275389
Energy: 2.2723950843965843
Energy: 2.366987538650721
Energy: 2.3792231829606476
Energy: 2.45316334828983
Energy: 2.319558443792617
Energy: 2.42023141461215
Energy: 2.3407525172899484
Energy: 2.4218813939559074
Energy: 2.3089154267989165
Energy: 2.3010718423893364
Energy: 2.284039447271295
Energy: 2.420231414609451
Energy: 2.3407525172899484
Energy: 2.4218813939532082
Energy: 2.308915426793567
Energy: 2.3070106829352435
Energy: 2.3330291388791715
Energy: 2.3069893247843027
Energy: 2.317104751801609
Energy: 2.279459885259903
Energy: 2.298057226843957
Energy: 2.3070106829379426
Energy: 2.3330291388818702
Energy: 2.306989324776205
Energy: 2.31710475179891
Energy: 2.329241387637502
Energy: 2.461114689495388
Energy: 2.29822837107928
Energy: 2.4035307568716875
Energy: 2.27019841152089
Energy: 2.353681776188117
Energy: 2.3292413876402014
Energy: 2.4611146894980873
Energy: 2.298228371084678
Energy: 2.403530756879785
Energy: 2.385410546150479
Energy: 2.3218606228127587
Energy: 2.4606220931965175
Energy: 2.49891757360593
Energy: 2.304849262263142
Energy: 2.26531990656673
Energy: 2.3854105461585764
Energy: 2.3218606228127587
Energy: 2.4606220931938183
Energy: 2.498917573603231
Energy: 2.3156384017341303
Energy: 2.3515360308512885
Energy: 2.402443251596096
Energy: 2.2789643381239193
Energy: 2.3317134558608843
Energy: 2.294416241633365
Energy: 2.3156384017448777
Energy: 2.3515360308485893
Energy: 2.4024432516122904
Energy: 2.278964338129268
Energy: 2.322632899322765
Energy: 2.383085753337569
Energy: 2.4376411853623003
Energy: 2.312907358366774
Energy: 2.4347458014108962
Energy: 2.2635286697719903
Energy: 2.322632899322765
Energy: 2.3830857533456666
Energy: 2.437641185364999
Energy: 2.312907358369473
Energy: 2.2720364014577226
Energy: 2.3171199852917703
Energy: 2.2980979898689937
Energy: 2.3939934476182496
Energy: 2.314121404254882
Energy: 2.3712907897486843
Energy: 2.2720364014577226
Energy: 2.3171199852917703
Energy: 2.2980979898689937
Energy: 2.3939934476182496
Energy: 2.266055892478636
Energy: 2.349453631340566
Energy: 2.3268668711291873
Energy: 2.3109829615038913
Energy: 2.338109533806963
Energy: 2.2835416238964377
Energy: 2.266055892489432
Energy: 2.3494536313459644
Energy: 2.3268668711345852
Energy: 2.3109829615389788
Energy: 2.3116222087906837
Energy: 2.30453860121322
Energy: 2.483444348537498
Energy: 2.342205270150885
Energy: 2.348007033595828
Energy: 2.273035111580965
Energy: 2.3116222087852853
Energy: 2.304538601207822
Energy: 2.483444348537498
Energy: 2.342205270153584

minimum gb energy = 2.2568500576874944 eV
minimum distance =  2.41702089831178 Angstroms
sigma value = 437


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

Energy: 2.4246194997792605
Energy: 2.297718143875685
Energy: 2.2833791866143716
Energy: 2.281260028377788
Energy: 2.283521688679759
Energy: 2.3485082964635318
Energy: 2.4246194997763104
Energy: 2.2977181438796186
Energy: 2.283379186617321
Energy: 2.281260028621561
Energy: 2.294631950006538
Energy: 2.522202958067505
Energy: 2.341903669992799
Energy: 2.2398852883855316
Energy: 2.3985345663650794
Energy: 2.375006617231233
Energy: 2.294631950007522
Energy: 2.522202958070455
Energy: 2.341903669992799
Energy: 2.2398852883815983
Energy: 2.3283738332868293
Energy: 2.2962817401390327
Energy: 2.4708433226635664
Energy: 2.2472109127105027
Energy: 2.2993903748708346
Energy: 2.383367362960019
Energy: 2.328373833285846
Energy: 2.296281740141983
Energy: 2.470843322662583
Energy: 2.24721091270952
Energy: 2.40089543520148
Energy: 2.28525362243347
Energy: 2.286174478804439
Energy: 2.242304784152166
Energy: 2.2857725704040743
Energy: 2.358096141304083
Energy: 2.40089543520443
Energy: 2.28525362243052
Energy: 2.286174478801489
Energy: 2.242304784152166
Energy: 2.197930514753712
Energy: 2.293316400535772
Energy: 2.2868676985369536
Energy: 2.3161895417953535
Energy: 2.240382220120207
Energy: 2.3886741892199006
Energy: 2.197930514753712
Energy: 2.2933164005347884
Energy: 2.2868676985369536
Energy: 2.3161895417904366
Energy: 2.1986743586960293
Energy: 2.492422280086844
Energy: 2.2561757855311204
Energy: 2.4240401434931496
Energy: 2.2238591153073184
Energy: 2.2660295042045
Energy: 2.198674358694063
Energy: 2.492422280089749
Energy: 2.2561757855281703
Energy: 2.4240401434941328
Energy: 2.5464301983139808
Energy: 2.286096835832978
Energy: 2.4334635078542646
Energy: 2.2392920030462777
Energy: 2.2858910293862666
Energy: 2.2964828636911996
Energy: 2.546430198308081
Energy: 2.286096835835928
Energy: 2.4334635078542646
Energy: 2.2392920030423444
Energy: 2.257663936760833
Energy: 2.2772835088233587
Energy: 2.286300054590119
Energy: 2.2424524354098927
Energy: 2.3007456561181785
Energy: 2.2852075821182543
Energy: 2.2576639367627998
Energy: 2.277283508820409
Energy: 2.2863000545969574
Energy: 2.2424524354089095
Energy: 2.441279668204331
Energy: 2.292379239954373
Energy: 2.636719434891911
Energy: 2.2400156459831146
Energy: 2.283402563602627
Energy: 2.5189031813800637
Energy: 2.441279668204331
Energy: 2.29237923995339
Energy: 2.636719434894861
Energy: 2.240015645982131
Energy: 2.2869835863637973
Energy: 2.3631814170924073
Energy: 2.256582173786403
Energy: 2.426707402509172
Energy: 2.2867312972605407
Energy: 2.5542011371731466
Energy: 2.2869835863677306
Energy: 2.3631814170924073
Energy: 2.256582173786403
Energy: 2.4267074025081885
Energy: 2.5223148035913003
Energy: 2.3722325114866694
Energy: 2.342642830122021
Energy: 2.2397911595194757
Energy: 2.3623092263214507
Energy: 2.2859913119147395
Energy: 2.522314803590317
Energy: 2.3722325114896194
Energy: 2.3426428301249707
Energy: 2.2397911595194757
Energy: 2.3705754154282785
Energy: 2.277162261193155
Energy: 2.3015426824508927
Energy: 2.2477532886518006
Energy: 2.3004127835207986
Energy: 2.278012510565178
Energy: 2.370575415427295
Energy: 2.2771622611902047
Energy: 2.3015426824508927
Energy: 2.2477532886537674
Energy: 2.214206235775576
Energy: 2.341507639759862
Energy: 2.406877482569368
Energy: 2.2396975374660375
Energy: 2.3418105407910472
Energy: 2.355883573998627
Energy: 2.2142062357775423
Energy: 2.341507639758879
Energy: 2.406877482569368
Energy: 2.239697537468988
Energy: 2.2452555673636874
Energy: 2.4368979116250364
Energy: 2.2960866190933915
Energy: 2.2852971741730017
Energy: 2.2557894138705983
Energy: 2.351065203615568
Energy: 2.2452555673636874
Energy: 2.436897911627986
Energy: 2.296086619094375
Energy: 2.285297174172019

minimum gb energy = 2.197930514753712 eV
minimum distance =  2.32585205549837 Angstroms
sigma value = 33