Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.605663573741914
cohesive_energy=4.1815964231097436
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.66573498107078e-19, 2.57380063192296e-19, 3.2803284839842794e-19, 3.8315253113792997e-19, 4.2745431724466396e-19, 4.65018950605428e-19, 4.99571491894272e-19, 5.3185855542264e-19, 5.6050707581519395e-19, 5.844291751374479e-19, 6.03615240329598e-19, 6.18675700689198e-19, 6.303571705276919e-19, 6.3937261844721e-19, 6.463549042181819e-19, 6.5183755265973e-19, 6.562339253434259e-19, 6.59843629299828e-19, 6.628461083119439e-19, 6.653262777413759e-19, 6.672969550011959e-19, 6.687373117951621e-19, 6.69616906767228e-19, 6.699133094445179e-19, 6.6958326105791405e-19, 6.685082005365e-19, 6.665679646327258e-19, 6.63671229278454e-19, 6.59731476935448e-19, 6.546718031252761e-19, 6.48428120782578e-19, 6.40912310192484e-19, 6.31943325395352e-19, 6.21159074471898e-19, 6.08000397776856e-19, 5.91765541944534e-19, 5.718568950904499e-19, 5.4820876797261e-19, 5.19808584958326e-19, 4.75386635604042e-19, 3.7421238552020996e-19, 1.219350946895406e-19, -4.14688173824952e-19, -1.352270724805314e-18, -2.60767064596572e-18, -3.2906144579745595e-18, 1.9720711534915798e-19, 2.009129499036e-17, 9.674551343212919e-17, 3.6762743955447e-16, 1.3363563042997918e-15, 5.0924543441036396e-15]
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: 0.016210237429710745
Energy: 3.7791295742117788
Energy: 0.016531091602956065
Energy: 0.01641892302148055
Energy: 0.49437523012545714
Energy: 0.016625083699424614
Energy: 3.7791889966216585
Energy: 0.09752131274563035
Energy: 0.09754123390586969
Energy: 0.09742784439262599
Energy: 0.09759360285880347
Energy: 0.09740171916570828
Energy: 0.016531091602675855
Energy: 0.09754123390926722
Energy: 0.09753545776281596
Energy: 0.016616962577430804
Energy: 0.09757930880593818
Energy: 0.09741171407453904
Energy: 0.01641892302148055
Energy: 0.09742784439724943
Energy: 0.016616962576169864
Energy: 0.01658812251993941
Energy: 0.09749244528670385
Energy: 0.016556394707311413
Energy: 0.49437522052558885
Energy: 0.09759360285817299
Energy: 0.09757930880870523
Energy: 0.09749244528764955
Energy: 0.09785392151688783
Energy: 0.09769022894545455
Energy: 0.016625083699109377
Energy: 0.0974017191638519
Energy: 0.09741171407054605
Energy: 0.016556394706400735
Energy: 0.09769022894885207
Energy: 0.016423887730624753

minimum gb energy = 0.016210237429710745 eV
minimum distance =  2.54692944421293 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.2732488315859007
Energy: -5.563640940869014
Energy: -5.325237968309534
Energy: -2.260347763860248
Energy: -4.6832700161640215
Energy: -5.7593224287712825
Energy: -6.00439283036851
Energy: -4.566405655941433
Energy: -5.577917326167688
Energy: -3.2290998001394593
Energy: -3.195936590070208
Energy: -4.470271984245539
Energy: -5.926142869879676
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Energy: -3.402796178487837
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Energy: -3.6359285324887924
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Energy: 0.5680668608533957
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Energy: -5.068950927749145
Energy: -2.7924127470778695
Energy: -3.3605446979462608
Energy: -4.481357074596863
Energy: 0.6946991363747052
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Energy: -5.7356647814438215
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Energy: -4.605251971675132
Energy: -5.954550723988774
Energy: -5.3413688894976
Energy: -3.889230799035233
Energy: -4.946457990763276
Energy: -3.695230981875691
Energy: -3.8542677769191407
Energy: -3.8276270224692817
Energy: -5.081414662842232
Energy: -3.889267811742913
Energy: -4.053356146681552
Energy: -4.2386804119759205
Energy: -3.251287104639239
Energy: -4.028931167339793
Energy: -5.200532536969384
Energy: -3.9127185749750697
Energy: -4.48104051319528
Energy: -4.092453358157397
Energy: -4.1198601597262074
Energy: -4.0272957964376435
Energy: -5.735441864582303
Energy: -4.078071842756371
Energy: -5.52455337210334
Energy: -6.051945046060897
Energy: -4.906738290864024
Energy: -4.689732938887811
Energy: -5.361110315885813
Energy: -3.1300703923828337
Energy: -3.731787338299324
Energy: -5.17523179441876
Energy: -4.213619686751849
Energy: -4.511620747462407
Energy: -6.243809422356056
Energy: -3.657495749953849
Energy: -5.517606034348214
Energy: -5.69430412299012
Energy: -2.682524869253833
Energy: -4.901772661268613

minimum gb energy = -6.716145815107544 eV
minimum distance =  2.35646047416906 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.53623307496587
Energy: -4.330844101912505
Energy: -3.5219731613160152
Energy: -4.675256604005015
Energy: -4.578980553643528
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Energy: -5.4535414590130955
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Energy: -3.694183750864029
Energy: -4.890079351688585
Energy: -2.127487566461496
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Energy: -4.769551346018652
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Energy: -4.304364617956345
Energy: -4.3479573029651455
Energy: -4.332455575110921
Energy: -4.4690350152358045

minimum gb energy = -5.918354439936399 eV
minimum distance =  2.33776132664629 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

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Energy: -2.007786514863086
Energy: 1.1411696994778617
Energy: -2.872697997615876
Energy: -2.4372821769976545
Energy: -2.106017544190134
Energy: -2.062366827761797
Energy: -2.6497727436276595

minimum gb energy = -3.3564897517637915 eV
minimum distance =  2.34440809588988 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

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Energy: 0.08555440507489676
Energy: 0.597115802432531
Energy: 0.37048929544212117
Energy: 0.6662758144289188
Energy: 0.3972383513125284
Energy: -1.8770132849194086
Energy: 0.6208856104946456
Energy: 0.6207887250325419
Energy: 0.6096237790511393
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Energy: 0.6667251829077177
Energy: -2.6475629825224667
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Energy: 0.6650952032077947
Energy: 0.6227204003069997
Energy: 0.769106004586389
Energy: 0.6164944045846477
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Energy: 0.6192424978554626
Energy: 0.6175850485464783
Energy: 0.6235103486979555
Energy: 0.9039998481018492
Energy: 0.5944581368401209
Energy: 0.620271370239253
Energy: 0.5412747202204986
Energy: 0.5928204607157493
Energy: 0.6198424566659612
Energy: 0.9039739994011314
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Energy: 0.6087908992409863
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Energy: 0.6199725498065503
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Energy: 0.5923394356292434
Energy: 0.7043140032407362
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Energy: 0.49097498381208493
Energy: 0.6269521124472592
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Energy: 0.8733063996034489
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Energy: 0.4005802082240009
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Energy: 0.8734825648964829
Energy: 0.6242778681449104
Energy: 0.6235312951445802
Energy: 0.39752782530948094
Energy: 0.6245220752204402
Energy: 0.6228536181813601
Energy: 0.9030425763525347
Energy: 0.5936647177478195
Energy: 0.6211239486939876
Energy: 0.6103556252246283
Energy: 0.5926952229325347
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Energy: 0.904122801810214
Energy: 0.6152639787335571
Energy: 0.6101230212454097
Energy: 0.6075499324273914
Energy: 0.618140793794772
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Energy: 0.9035361258171176
Energy: 0.6093069546425119
Energy: 0.6094360571654178
Energy: 0.6161897772238762
Energy: 0.6269459852412395
Energy: 0.6088617865867009
Energy: 0.7560881219587764
Energy: 0.3693044352399078
Energy: 0.3940372375821371
Energy: 0.6152113234396684
Energy: 0.36632289145332875
Energy: 0.4977407545331873
Energy: 0.7060980925567197
Energy: 0.6069416962704219
Energy: 0.6085725581908579
Energy: 0.6680643125107131
Energy: 0.5814199898140824
Energy: 0.621827340132973
Energy: 0.7060685238656471
Energy: 0.6107662070506861
Energy: 0.6081410603239079
Energy: 0.6666683617808363
Energy: 0.6221606784236028
Energy: 0.6078895115513981
Energy: 0.6989904061178939
Energy: 0.3911496472652119
Energy: 0.3994170974891107
Energy: 0.6631960420508545
Energy: 0.4454732616895748
Energy: 0.6124609779832169
Energy: 0.904779243355777
Energy: 0.6233811736663614
Energy: 0.6266073028015139
Energy: 0.6171698764919643
Energy: 0.6219147927962622
Energy: 0.6109186755781959
Energy: 0.6993206172693777
Energy: 0.6214331137216654
Energy: 0.6203986147494405
Energy: 0.5913994104019206
Energy: 0.5442391852754372
Energy: 0.6202825054485746
Energy: 0.7677472909112786
Energy: 0.6205180111735119
Energy: 0.6191714010973006
Energy: 0.6217867663147916
Energy: 0.6087749854265329
Energy: 0.619043509415311
Energy: 1.1067069342789486
Energy: 0.5262728998906658
Energy: 0.5926053088721711
Energy: 0.49039892122377104
Energy: 0.6130424509170462
Energy: 0.5936702779097854

minimum gb energy = -2.6475629825224667 eV
minimum distance =  2.35720851327177 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.9175901180215227
Energy: -4.09721418545128
Energy: -3.0684396068577375
Energy: -3.5044542312148685
Energy: -4.171876419051497
Energy: -2.996977295258188
Energy: -3.659380371216486
Energy: -3.2035009207430267
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Energy: -4.105718988328932
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Energy: 0.7392794863854133
Energy: -4.618029752516611
Energy: -4.5688296619362845
Energy: -4.751940545122213
Energy: -4.0443014922204314
Energy: -4.421250572650339
Energy: 0.894187770523157
Energy: -2.0688107721308966
Energy: -2.137836623215899
Energy: -4.270559903264198
Energy: -2.2883683914642634
Energy: -2.3546033173132472
Energy: -2.9941755824957395
Energy: -3.800451529965709
Energy: -2.757217479495291
Energy: -3.7588626191276484
Energy: -4.401238859109272
Energy: -3.0935060150665863
Energy: 0.4879600968333507
Energy: -3.7803205128793773
Energy: -2.575608370674978
Energy: -3.871810079846664
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Energy: -3.3075226790453227
Energy: 0.6328615749125466
Energy: -2.44220922797994
Energy: -4.22686666380777
Energy: -1.8691775593659385
Energy: -2.447506105094468
Energy: -4.413953502388237
Energy: 0.48835076577646314
Energy: -4.476255882489714
Energy: -3.7871659335230703
Energy: -2.879398778096099
Energy: -4.310080406484841
Energy: -4.305514882431565
Energy: 0.6796854450873296
Energy: -4.706486123257667
Energy: -2.601097847724816
Energy: -2.5182839401809463
Energy: -4.446203054785768
Energy: -2.873352432833343
Energy: 0.6021310692334712
Energy: -2.183172029205638
Energy: -2.2242041309964184
Energy: -3.6463456841965516
Energy: -3.435385519105075
Energy: -3.2456737153174195
Energy: 0.7371919950433856
Energy: -3.5355461363255785
Energy: -3.410786667258633
Energy: -3.6227571009759747
Energy: -3.921766278535515
Energy: -3.9601097444399262
Energy: 0.6475673503724139
Energy: -4.132757375754028
Energy: -3.2620072441224917
Energy: -2.800534278453362
Energy: -3.644433249325408
Energy: -2.07611827685913

minimum gb energy = -4.751940545122213 eV
minimum distance =  2.34496282874338 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: -3.1448674812173527
Energy: -3.8334899855069113
Energy: -4.096817819005259
Energy: -5.153640518712077
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Energy: -3.9523977911689814
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Energy: 0.6394254559655252
Energy: -4.70186199840064
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Energy: -2.5400453074252916
Energy: -4.064292009820024
Energy: -4.385252399451803
Energy: -2.2051888023598387

minimum gb energy = -5.931041433466646 eV
minimum distance =  2.35450290965638 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

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Energy: -2.313548217223559
Energy: 0.2294202781688922
Energy: 0.2294157668039663
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Energy: -2.088523860209609
Energy: -2.1627551388729542
Energy: -2.9041226831795
Energy: 0.23341749473972453
Energy: 0.22932492780430472
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Energy: 0.4034796205134742
Energy: -2.413243688109086
Energy: -2.3739220154833336
Energy: -2.1913964146860794
Energy: -2.3413202028233773
Energy: -2.32147724971836
Energy: -3.352901313470905
Energy: -2.703538880748724
Energy: -2.1322690089505
Energy: -1.6823695404949317
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Energy: -2.6476394480666476
Energy: -2.8961616366632947
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Energy: -2.3361816835682894
Energy: -2.1912154739236174
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Energy: -1.7169333620072769
Energy: -3.075444229322109
Energy: -2.318075317785217
Energy: -2.3609730226883756

minimum gb energy = -5.200820273939683 eV
minimum distance =  2.3425595810698 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

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Energy: -4.57116746054555
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Energy: 0.1779549829687403
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Energy: -4.232172616828636
Energy: -4.654113782752477
Energy: -4.458151327596226
Energy: -5.758880175393222
Energy: -4.292754054784166
Energy: -6.159729866607071
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Energy: -7.0726075381634255
Energy: -3.237794208709105
Energy: -5.223089207518001
Energy: -5.358011074249989

minimum gb energy = -7.986175635402033 eV
minimum distance =  2.33637581259362 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: -3.221961763129086
Energy: -2.726481475569628
Energy: -3.6502814157017816

minimum gb energy = -4.176857570943272 eV
minimum distance =  2.31523674396477 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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minimum gb energy = -5.823441619684751 eV
minimum distance =  2.31126655337436 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

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minimum gb energy = -2.7522081155282194 eV
minimum distance =  2.40950454053506 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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minimum gb energy = -6.361083087138955 eV
minimum distance =  2.34183590386059 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -2.866287125780981
Energy: -2.4248613754091495
Energy: -2.16619811795565
Energy: -2.615237898015693
Energy: -1.488622510736438
Energy: -1.8911385722186145
Energy: -2.591945958303639
Energy: -2.0646919663102716
Energy: -2.644150054358231
Energy: -2.7568614378622796
Energy: -1.739224232619478
Energy: -1.4269073119452578
Energy: -2.970100614107477
Energy: -2.06128231411287
Energy: -2.6927063728597274
Energy: -3.2674830886954807
Energy: -2.8979432756870147
Energy: -2.818300127915338
Energy: -2.9630184809658817
Energy: -2.332087137407795
Energy: -4.397636836818147
Energy: -2.5154050343887837
Energy: -2.6350173602029705
Energy: -2.3099057977360142
Energy: -2.5720091862776386
Energy: -3.091285468161991
Energy: -2.425181538504354
Energy: -3.033627519507729
Energy: -3.2712972435182976
Energy: -2.680737425253539
Energy: -2.9133468154176327
Energy: -2.9426882291547516
Energy: -2.571618334589296
Energy: -2.114528355951466
Energy: -2.3951351389204003
Energy: -1.8049941828973248
Energy: -2.445760035416825
Energy: -3.660927288853548
Energy: -2.768570983571292
Energy: -2.1139139082431835
Energy: -2.3942980726816705
Energy: -2.091631542336523
Energy: -2.847098140006236
Energy: -3.176097491814116
Energy: -4.368961098209543
Energy: -2.614415136069989
Energy: -2.6864220849588736
Energy: -2.053558928268536
Energy: -2.045120440461965
Energy: -4.85826096990196
Energy: -2.6919327030878035
Energy: -2.8579916475955685
Energy: -3.383708787568816
Energy: -2.664957974481557
Energy: -3.2872346889685784
Energy: -2.201217012040594
Energy: -2.3433072782662894
Energy: -2.185651314409517
Energy: -2.210747931830129
Energy: -2.6470549088635846
Energy: -2.2875862976245425
Energy: -2.1445140153226405
Energy: -1.6868790595580918
Energy: -1.981370168988868
Energy: -2.005096529415469
Energy: -1.943044752192355
Energy: -2.009772142626546
Energy: -2.0722894735348403

minimum gb energy = -4.85826096990196 eV
minimum distance =  2.33807129287915 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: -1.7472010149092465
Energy: -1.6197683833752567
Energy: -2.0658580589720823
Energy: -2.837493761282594
Energy: -1.6023824123344472
Energy: -1.6820419161158164
Energy: -1.457038092509135
Energy: -1.9714662279913222
Energy: -1.9635122146380004
Energy: -2.4280805644618946
Energy: -2.335743284587647
Energy: -1.561816003462941
Energy: -1.59974142808004
Energy: -2.9642169225796007
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Energy: -2.6278394939234224
Energy: -3.004705129378788
Energy: -2.846548562176603
Energy: -1.4457419215720366
Energy: -2.655524567665
Energy: -3.1278596350276047
Energy: -2.4435448103101653
Energy: -2.789201916429964
Energy: -1.7948927898961011
Energy: -1.4475056860941053
Energy: -1.977107710404229
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Energy: -3.0693634221885464
Energy: -1.8613772943821714
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Energy: -1.4420816055999197
Energy: -2.410524471961318
Energy: -1.9217424241220493
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Energy: -1.7568360107197438
Energy: -2.928358850283608
Energy: -3.376472494536609
Energy: -2.858826816590226
Energy: -2.592273139971919
Energy: -2.663736131928544
Energy: -3.515877022309478
Energy: -3.439070341166561
Energy: -2.5885211780197768
Energy: -1.0480535516334362
Energy: -1.3777817609744185
Energy: -2.4395005077886824
Energy: -2.5207945127927576
Energy: -1.7382362779753022
Energy: -2.8755806834093374
Energy: -2.4251191709159046
Energy: -1.619252115018548
Energy: -1.7922759218361535
Energy: -2.349435137472499
Energy: -2.152410248758899
Energy: -2.6765878577357056
Energy: -2.1859970559634783
Energy: -1.7285213184509154
Energy: -1.6064399911535003
Energy: -2.0771354686626387
Energy: -2.009230005677566
Energy: -3.033873515439535
Energy: -2.5623758224115987
Energy: -2.724561728388126
Energy: -1.7711926912579377
Energy: -2.2922011767395465
Energy: -1.7102352681625987
Energy: -3.695983104929592
Energy: -2.0885578490211696
Energy: -1.658066589873281
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Energy: -1.5051588744478446
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Energy: -2.8737152239089294
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Energy: -2.1963321938622427
Energy: -2.5263922867513684
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Energy: -2.2149301904582717
Energy: -2.1176781070828494
Energy: -2.173887384168279
Energy: -1.9967122072947354
Energy: -2.6608981199136865
Energy: -1.9977520318429796
Energy: -1.6103370528884149
Energy: -1.7990719960660984
Energy: -2.32973780396846
Energy: -1.8099920129840434
Energy: -1.9130860165132315
Energy: -3.1973045011203425
Energy: -1.568120195215805
Energy: -2.6451629355308213
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Energy: -1.177303205635384
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Energy: -1.7418912741864534
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Energy: -1.6342415523198712
Energy: -2.2577186006561183
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Energy: -2.0288104633750503
Energy: -1.616515291324602
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Energy: -1.5467958370915795
Energy: -2.2880842026882204
Energy: -2.020490622496852
Energy: -1.972560306233445
Energy: -2.7401985930259305
Energy: -2.1528812499528254
Energy: -1.6151772262422779
Energy: -1.8830226992866879
Energy: -3.0272204732649164
Energy: -1.6881636164612923
Energy: -3.2633576088325515
Energy: -2.0570916557962358
Energy: -1.8389846693509735
Energy: -2.389437082942553
Energy: -1.8706653581474297
Energy: -1.5201820807545041
Energy: -2.1958417436430815
Energy: -2.061979851590016
Energy: -3.371026893956896
Energy: -1.2469468711199685
Energy: -3.1441218166154
Energy: -1.243084970579412
Energy: -2.107958534686722
Energy: -1.6894037166195177
Energy: -1.5809902250853556
Energy: -2.069420045487026
Energy: -1.8924186638939131
Energy: -1.8496573862087917
Energy: -1.915287588898043
Energy: -2.0009491268357347
Energy: -1.5513075097599203
Energy: -3.399274912845204
Energy: -3.2170639650579003
Energy: -2.4343664544007906
Energy: -2.5993135229164386
Energy: -2.886694712691705
Energy: -1.5617768119688409
Energy: -2.417260646189158
Energy: -1.821101929061426
Energy: -3.0288202709209657
Energy: -2.1114131967591283
Energy: -2.380828168943633
Energy: -1.551481088793833
Energy: -3.1444676651148056
Energy: -2.622269591439584
Energy: -2.2727206316006288
Energy: -3.0648175213213773
Energy: -3.4102462985363076
Energy: -1.7380592687395964
Energy: -1.863739658245342
Energy: -2.5232734695689873
Energy: -1.4905624767311945
Energy: -1.6849357985124136
Energy: -3.054103752190101
Energy: -1.451847681100151
Energy: -2.484250716511483
Energy: -2.631887019642579
Energy: -2.264568923044916
Energy: -3.2719020495451043
Energy: -2.0860794921776584
Energy: -2.897591512430359
Energy: -1.9938735759429067
Energy: -2.233666625581384
Energy: -2.2167226561842135
Energy: -1.95177420418696
Energy: -1.5438209105424872

minimum gb energy = -3.695983104929592 eV
minimum distance =  2.35460225453505 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -1.6295769487478957
Energy: -2.459678006340327
Energy: -2.601310335901586
Energy: -3.7673154163782754
Energy: -3.191795785800712
Energy: -2.5828911457201325
Energy: -2.5376164816106392
Energy: -2.822831067357989
Energy: -3.584131822265627
Energy: -2.8465909905051343
Energy: -3.2738425544087
Energy: -2.2050968033346123
Energy: -2.698983306602777
Energy: -2.6262529695291943
Energy: -3.7078248545672934
Energy: -3.280296697617276
Energy: -3.502279934604703
Energy: -3.7438867027275924
Energy: -2.8922413664800173
Energy: -4.804402839328031
Energy: -3.4528928034014448
Energy: -2.994111833559016
Energy: -3.7459776427488385
Energy: -3.6480771384817947
Energy: -2.825458226706254
Energy: -3.3900040948610943
Energy: -3.8457576455352855
Energy: -3.4511223339649613
Energy: -3.6106343566953925
Energy: -3.469820018904196
Energy: -2.474404578874686
Energy: -3.464084612796166
Energy: -3.4606867364167275
Energy: -3.2616923406710057
Energy: -4.160715432355428
Energy: -3.74720942002381
Energy: -2.8640298147558347
Energy: -3.2139599818960205
Energy: -3.6265981582687865
Energy: -3.632223033502398
Energy: -3.335702025387919
Energy: -2.3490928520806964
Energy: -2.211847855615498
Energy: -2.4224942772316576
Energy: -2.250260225677788
Energy: -3.938016777670579
Energy: -2.6070660115038664
Energy: -2.308065740598206
Energy: -2.9238664365312337
Energy: -2.8524646964096907
Energy: -3.9044791861359496
Energy: -2.631179190049914
Energy: -3.9178661484666435
Energy: -1.7977727589092896
Energy: -2.6253544667885826
Energy: -4.647686159471783
Energy: -3.225864957514268
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Energy: -2.6799148026768713
Energy: -3.5751802958411583
Energy: -2.7707504942707093
Energy: -2.7870097837219694
Energy: -2.626442502454593
Energy: -2.4790854093215953
Energy: -2.7227023600837623
Energy: -2.7134595529221333
Energy: -2.682384600033262
Energy: -2.613872157584044
Energy: -3.1480453671067155
Energy: -2.502058688659425
Energy: -3.5959373715920884
Energy: -3.635549216513886
Energy: -2.6892653299784715
Energy: -2.598851626895663
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Energy: -2.334432074175013
Energy: -2.7214927639883912
Energy: -2.9535919612589017
Energy: -3.628709339100122
Energy: -2.7216756023961666
Energy: -3.8407252721464835
Energy: -3.4886185977889275
Energy: -4.047044807063287
Energy: -3.4781840039826015
Energy: -3.948013672545111
Energy: -2.731567431598481
Energy: -2.709249424041487
Energy: -2.275090682415626
Energy: -2.839975938216864
Energy: -2.5026428295093357
Energy: -2.2859718100692494
Energy: -2.81531146300895
Energy: -3.258705593275943
Energy: -4.110743805571847
Energy: -3.195738625020921
Energy: -3.728294784883838
Energy: -2.858120030626155
Energy: -2.873538667340388
Energy: -3.407491835967786
Energy: -3.7424263649515215
Energy: -3.4598955064097643
Energy: -3.471091220923932
Energy: -3.12916047722568
Energy: -2.8521053502289755
Energy: -3.347384490151675
Energy: -3.4634856396578395
Energy: -2.474756456468157
Energy: -2.42463306053884
Energy: -3.635242859911082
Energy: -2.9246372877491416
Energy: -2.8006373709335874
Energy: -3.6959665875889223
Energy: -3.6219813701592343
Energy: -2.772404437463067
Energy: -2.840927135835377
Energy: -2.8954809843776057
Energy: -2.280844872056213
Energy: -3.5118295204024372
Energy: -2.846175301104982
Energy: -2.350489571541743
Energy: -3.6653740744342733
Energy: -2.521760659388078
Energy: -4.658689410242671
Energy: -3.3445640642724728
Energy: -2.6724296282706455
Energy: -3.1097018978438418
Energy: -2.439169302127639
Energy: -2.5759632765401497
Energy: -2.7967250982822023
Energy: -3.110679599273118
Energy: -2.798828682955449
Energy: -2.7217055542823365
Energy: -3.3967033182656126
Energy: -2.16565314534301
Energy: -2.3744605812197714
Energy: -4.09708762522598
Energy: -3.0971365976168004
Energy: -2.698178093273134
Energy: -4.8319296403722385

minimum gb energy = -4.8319296403722385 eV
minimum distance =  2.36009400281321 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: -3.1521166548651602
Energy: -1.854034648772305
Energy: -1.2032700741418414
Energy: -2.760656309421291
Energy: -1.9332686181116414
Energy: -3.3390311746766805
Energy: -3.8106176863544965
Energy: -2.1341917556413277
Energy: -1.6175424444294884
Energy: -3.347905579904977
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Energy: -3.706121862084988
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Energy: -3.500860876225998
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Energy: -3.981271629184429
Energy: -3.819719235666047
Energy: -2.5413954851558263
Energy: -2.4078288045536604
Energy: -2.1727506471238263
Energy: -2.5644724462425788
Energy: -1.6382516914653527
Energy: -3.709235497730213
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Energy: -3.400861341578345
Energy: -4.171056742038392
Energy: -4.1683456307172015
Energy: -3.655130493682296
Energy: -3.5156726754399923
Energy: -3.6985910372590673
Energy: -1.434160417065527
Energy: -4.164702498916116
Energy: -1.4502595612350775
Energy: -3.973696260831246
Energy: -4.148595690938263
Energy: -4.074597818896815
Energy: -4.1582671491270435
Energy: -4.114036481899411
Energy: -4.11388613170702
Energy: -3.7221855421805867
Energy: -4.148126178100063
Energy: -2.5159295505578347
Energy: -3.602845123983435
Energy: -4.107885979333484
Energy: -2.2542871662714856
Energy: -4.009172848864031
Energy: -4.094357443065597
Energy: -4.113834456865722
Energy: -1.7641001063927388
Energy: -4.138098777171425
Energy: -4.14709650285414
Energy: -4.0220048697787
Energy: -4.171108346805686
Energy: -4.183331167985414
Energy: -3.632872002119029
Energy: -4.1657308183141595
Energy: -4.189201806182648
Energy: -3.9542194093307157
Energy: -3.6418599428042557
Energy: -3.751269560530801
Energy: -4.167830695425876
Energy: -3.5303026079629127
Energy: -3.6493311352394957
Energy: -3.819341447774794
Energy: -1.6339455811640191
Energy: -1.6355232139728895
Energy: -4.009728424886947
Energy: -2.5229931561664682
Energy: -2.7941005733988935
Energy: -3.3537688500204927
Energy: -2.0519267774185277
Energy: -2.975834740172103
Energy: -4.160142854995643
Energy: -3.0256446460552833
Energy: -3.0623346134341296
Energy: -3.616866617373217
Energy: -2.857098650730232
Energy: -2.538979777519356
Energy: -2.2051987706614167
Energy: -2.433085312479396
Energy: -2.0029151048846416
Energy: -3.7638805960779464
Energy: -3.3176325274946845
Energy: -1.565882114006687
Energy: -2.2082063272478156
Energy: -3.750927444889699
Energy: -1.146926358527024
Energy: -3.8092552652096154
Energy: -2.349932098745955
Energy: -2.4581195746404587
Energy: -2.629041114387284
Energy: -3.5640730723346503
Energy: -2.0537392183030057
Energy: -3.3748837921179327
Energy: -3.0684414380233647
Energy: -2.683586678219187
Energy: -2.733721631746093
Energy: -2.50239674920413
Energy: -1.2519943803988456

minimum gb energy = -4.189201806182648 eV
minimum distance =  2.35738447498247 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: -4.7610641944854315
Energy: -2.168283043703389
Energy: -2.265153503365295
Energy: -2.7180282711979413
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Energy: -1.543279629618658
Energy: -0.9997434650779893
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Energy: -2.810009780173767
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Energy: -3.0627720257729756
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Energy: -3.7165713556233637
Energy: -2.436231364047892
Energy: -1.701032129039905
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Energy: -3.078141483595173
Energy: -2.988958410684685
Energy: -2.6329826707013506
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Energy: -3.19559166108037
Energy: -2.6210446752671728
Energy: -2.6399017301562093
Energy: -2.3574985587964905
Energy: -3.1956183130389824
Energy: -3.9240430435588274
Energy: -0.30708349021924364
Energy: -3.6988443951158194
Energy: -4.037535307487524
Energy: -1.890411991214191
Energy: -3.2286629868635734
Energy: -2.8784004665625744
Energy: -3.154683720496271
Energy: -2.739628810330835
Energy: -2.7435600845047876
Energy: -3.305357165077984
Energy: -3.4110040352781463
Energy: -2.647759362653161
Energy: -2.902716350548619
Energy: -2.9070862182899484
Energy: -3.324163188683381
Energy: -2.691588763604762
Energy: -2.8463059285500854
Energy: -3.341507152096901
Energy: -3.8743514989554693
Energy: -3.1301522335513625
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Energy: -2.1754642881836226
Energy: -3.412050247355558
Energy: -2.8469193808056357
Energy: -2.134019844673009
Energy: -5.673797179016409
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Energy: -3.3657708813459175
Energy: -2.834011381068028
Energy: -2.495928280000393
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Energy: -3.2326675872785686
Energy: -2.311739334038271
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Energy: -3.4521005848320834
Energy: -3.1367476446998612
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Energy: -3.0979552597171534
Energy: -3.0476973633779965

minimum gb energy = -5.762061463669416 eV
minimum distance =  2.3303198239734 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

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Energy: -7.253349463122617
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Energy: -3.9377291680092923
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Energy: -3.101990864484507
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Energy: -4.196138294042051
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Energy: -5.8140218237421335
Energy: -6.332212267365232
Energy: -4.632516927653302
Energy: -5.086782222403312

minimum gb energy = -7.630243845076332 eV
minimum distance =  2.34004694104513 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

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Energy: -2.8283822940000447
Energy: -4.09538930777318
Energy: -3.056643902252444
Energy: -3.7187210115047384

minimum gb energy = -5.0854479349551545 eV
minimum distance =  2.34166606796097 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

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Energy: -0.03880674403047032
Energy: -0.03806535543602413
Energy: -0.06039388022601383
Energy: 12.230193797038966
Energy: -0.03926921145383812

minimum gb energy = -0.31834544286312116 eV
minimum distance =  2.4615514570429 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

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Energy: -3.2747775993614354
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Energy: -3.4864013630594854
Energy: -3.2392543138361574
Energy: -3.4979333970440454
Energy: -3.2820134963707983

minimum gb energy = -4.156121130852179 eV
minimum distance =  2.36695295380359 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: -0.16961061282602968
Energy: -5.157987697236615
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Energy: -5.345256102888473
Energy: -5.506020072114758
Energy: -5.5294686278172795
Energy: -5.67898643106427

minimum gb energy = -6.637461842118532 eV
minimum distance =  2.33466831274279 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

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Energy: -3.958641053901045
Energy: -3.565290728286177

minimum gb energy = -5.209572745413872 eV
minimum distance =  2.35878109082984 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.12712088351045767
Energy: -1.8782766602284688
Energy: -1.769725211328595
Energy: -2.71989372304323
Energy: -1.9206669398801985
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Energy: -1.8854531375995551
Energy: -1.6685107991826813
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Energy: 0.2779946278214975
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Energy: 0.2756296632354861
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Energy: -2.125444826959798
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Energy: -1.7345183776341382
Energy: 0.45297668315848855
Energy: -2.0763535995210045
Energy: -1.9793370877667962
Energy: -2.256829241195711
Energy: -2.0832830296715596
Energy: -2.1533626575059914
Energy: 0.5694347299480589
Energy: -2.026532267255968
Energy: -1.7538764774594209
Energy: -2.2989373185480595
Energy: -2.2157434462214827
Energy: -2.1994951283904483
Energy: 0.10321332601539727
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Energy: -2.266781110063264
Energy: -3.268539520705014
Energy: -2.175683602812558
Energy: -2.1420418447610214

minimum gb energy = -3.4299803355920604 eV
minimum distance =  2.38094620333254 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.3073269548739479
Energy: -2.5154274788260746
Energy: -3.038731973744678
Energy: -2.4851307263896736
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Energy: -4.229606714209743
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Energy: -2.9091755724411077
Energy: -3.6019803206236025
Energy: -2.3606551968611105
Energy: -3.3922352486614757

minimum gb energy = -4.229606714209743 eV
minimum distance =  2.36572841307414 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.1502221582616765
Energy: -3.3356282871955134
Energy: -1.7805581028056068
Energy: 0.94587812084636
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Energy: -1.7979292307469903
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Energy: 0.6536230589160378
Energy: 0.6779622061523822
Energy: 0.9623685281443829
Energy: 0.6661991336549052
Energy: 0.6657876162265532
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Energy: -2.190135645445429
Energy: -1.9119205508871526
Energy: -3.1729314742876373
Energy: -1.6735252534178247

minimum gb energy = -3.3661997394014738 eV
minimum distance =  2.36254031051591 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.3991819786151788
Energy: -3.4228528227934047
Energy: -3.355794291624864
Energy: -3.2563480812701977
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Energy: -3.7902362510249503
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Energy: -4.036213985149746
Energy: -3.8640333793168664

minimum gb energy = -5.006212966484004 eV
minimum distance =  2.34441077955368 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

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Energy: -3.724692655032753
Energy: 0.7955070832587984
Energy: -3.548579857832218
Energy: -3.9322299224578554
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Energy: -3.7119535073500014
Energy: 0.7827554578336952
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Energy: -3.9898606381690347
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Energy: -3.4976594640837173
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Energy: -3.9043351341549553
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Energy: -3.2750202200738983
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Energy: -4.131609951581184
Energy: -4.1066713185108785
Energy: 0.7653348918775564
Energy: -3.7562528381098024
Energy: -3.9775356447775776
Energy: 0.8900614659975611
Energy: -3.8314294108312787
Energy: -3.918178039299184
Energy: -3.535399854278349
Energy: -4.052354251143965
Energy: -3.934297527797687
Energy: 0.993950757181906
Energy: -3.827349619644356
Energy: -3.538656003335988
Energy: -3.254843854758839
Energy: -3.6071718639605725
Energy: -3.2712682763723597
Energy: 0.796256522844601
Energy: -4.070951991460526
Energy: -3.464778755198837
Energy: -3.702498338537941
Energy: -4.398960757992143
Energy: -3.9996539673952256
Energy: 1.002188857961587
Energy: -2.6719797910097514
Energy: -3.1220963855667025
Energy: -3.6801552942748774
Energy: -4.070776994008975
Energy: -3.6604021122378456
Energy: 0.8730962626670825
Energy: -3.7103797062683603
Energy: -3.658459110390485
Energy: -3.500190055849351
Energy: -3.7025806436639646
Energy: -3.33030388374963
Energy: 0.8350467685189304
Energy: -4.1267072803484846
Energy: -3.9138699575307476
Energy: -1.3917454222055676
Energy: -4.302962029434706
Energy: -3.569888538894668

minimum gb energy = -4.563587160640577 eV
minimum distance =  2.30639275240406 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

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Energy: -2.81241181322797
Energy: -2.205657592121287
Energy: -2.45578936012312
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Energy: -1.3595603877287523
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Energy: -1.5350379441175719
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Energy: -1.283350847532226
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Energy: -2.3100291286834023
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Energy: -1.9143185630009625
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Energy: -2.0291779995587294
Energy: -2.149705753837278
Energy: -1.828279061930424
Energy: 0.6246612041740945
Energy: -2.7315306624097593
Energy: -3.1310032611632113
Energy: -1.819781040669019
Energy: -2.746119456736737
Energy: -1.7959996405698346
Energy: 0.7185418088837626
Energy: -2.182379428227349
Energy: -1.5929109058087216
Energy: -1.3524055335556557
Energy: -2.4579019317962514
Energy: -1.2867131097449553
Energy: 0.7211843740691428
Energy: -1.3765362017718326
Energy: -1.4071276641254313
Energy: -1.6606419906138263
Energy: -1.2186570877545448
Energy: -1.6880652148660509
Energy: 0.566487745042367
Energy: -2.127611605309015
Energy: -1.3786660308146115
Energy: -2.5183948889645493
Energy: -1.8416731664719466
Energy: -2.3832903530671063
Energy: 0.7010045990886081
Energy: -1.6003190550617465
Energy: -2.192801876474064
Energy: -1.5147497837832837
Energy: -1.6279530824737847
Energy: -2.121941376738804
Energy: 0.6524742935061966
Energy: -1.557807385390026
Energy: -1.8498498096044471
Energy: -1.510173518452208
Energy: -1.3388041430295867
Energy: -2.013176375451986
Energy: 0.688333767902283
Energy: -2.5408436279507374
Energy: -2.7625373885692786
Energy: -2.248479140805185
Energy: -2.22335583282191
Energy: -1.4978785977662203

minimum gb energy = -3.389022590609036 eV
minimum distance =  2.37098103655771 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.6180848634396197
Energy: -2.786361647081658
Energy: -1.9919256634552047
Energy: -3.010173523443871
Energy: -3.682664331927024
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Energy: -4.1515820959781164
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Energy: -3.372087515769201
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Energy: -2.1423782270195884
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Energy: -2.1821297118232366
Energy: -2.8853407741329993
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Energy: -2.3400260739255185
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Energy: -3.030990705365775
Energy: -3.2770303998476487
Energy: -2.8088961364083285
Energy: 0.7146776231158046
Energy: -3.6196086645984673
Energy: -2.537510644492962
Energy: -3.650239447776072
Energy: -3.5917380633341134
Energy: -5.145911141217319
Energy: 0.604224125108821
Energy: -3.4014812744916982
Energy: -3.0158777159690917
Energy: -2.7391444624206347
Energy: -2.006296791087442
Energy: -4.171068197065556
Energy: 0.6927926523748962
Energy: -1.4731870891883136
Energy: -4.343949837794453
Energy: -3.14824218458391
Energy: -2.7118238424530023
Energy: -3.670057497970601
Energy: 0.6261359165699522
Energy: -3.3819862106298477
Energy: -2.905820866024546
Energy: -3.4280497794997733
Energy: -1.968802173006828
Energy: -3.6266409643839395
Energy: 0.7375713894111882
Energy: -3.397125921334917
Energy: -2.1798721025106444
Energy: -3.465652269048939
Energy: -2.7509326589256604
Energy: -4.08179507177479
Energy: 0.6935188629378064
Energy: -2.818020577227512
Energy: -1.3212035572638838
Energy: -3.142172874350006
Energy: -2.896394875392855
Energy: -3.826302854005564
Energy: 0.6512111406310289
Energy: -2.6513418418331796
Energy: -1.5923564693718184
Energy: -2.374609632838527
Energy: -3.0883971585746757
Energy: -3.353903687321241
Energy: 0.6571413840123709
Energy: -3.133219217677902
Energy: -2.6368897091721486
Energy: -3.402679604220602
Energy: -2.2823461250983605
Energy: -1.275409645295147

minimum gb energy = -5.145911141217319 eV
minimum distance =  2.39885013732455 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01833979014094334
Energy: 2.9893279774629034
Energy: 0.019806983773194866
Energy: 0.019921545414509863
Energy: 3.1460600974998556
Energy: 0.019044719634132012
Energy: 0.2637659245791084
Energy: 0.10152805462833865
Energy: -1.7848794960409724
Energy: -2.0651585990931243
Energy: -2.2841299343697226
Energy: -2.4286643466259927
Energy: 1.2841391306366061
Energy: -3.855047760237434
Energy: -3.2200157017881392
Energy: -2.97586294152119
Energy: -2.3721729880945337
Energy: -3.1478043252469647
Energy: 0.01905074610967123
Energy: 0.10152805462967607
Energy: -1.8799123411252296
Energy: -1.9176146945559442
Energy: -2.0498390254557997
Energy: -2.605120644756531

minimum gb energy = -3.855047760237434 eV
minimum distance =  2.41518724680249 Angstroms
sigma value = 1