Model name: model_name=EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
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=3.658403597772121
cohesive_energy=3.8927084027090397
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.014678252574195345
Energy: 1.0858442659203864
Energy: 0.014678252574195345
Energy: 1.0858442659200802
Energy: 0.014678252574195345
Energy: 1.0858442659209648
Energy: 1.0858442659209648
Energy: -0.14319592491862668
Energy: 1.0858442659209648
Energy: 0.44631228831749287
Energy: 1.0858442659215775
Energy: 0.936714002134229
Energy: 0.014678252574195345
Energy: 1.0858442659203864
Energy: 0.014678252574195345
Energy: 1.0858442659200802
Energy: 0.014678252574195345
Energy: 1.0858442659200802
Energy: 1.0858442659200802
Energy: 0.4463122876079
Energy: 1.0858442659203864
Energy: 0.8017793360414642
Energy: 1.0858442659197742
Energy: 0.936714002131541
Energy: 0.014678252574195345
Energy: 1.0858442659206586
Energy: 0.014678252574195345
Energy: 1.0858442659209648
Energy: 0.014678252574195345
Energy: 1.0858442659209648
Energy: 1.0858442659206586
Energy: 0.9367140021327317
Energy: 1.0858442659203864
Energy: 0.9367140021336503
Energy: 1.0858442659215775
Energy: 0.9367140021336503

minimum gb energy = -0.14319592491862668 eV
minimum distance =  2.44237111108186 Angstroms
sigma value = 1


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

Energy: -3.712848476951002
Energy: -2.7574931083659946
Energy: -2.6182245708975844
Energy: -3.0473375053256526
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Energy: -3.9288007818997017
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Energy: 0.6301804294235892
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Energy: 0.5687644701594211
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Energy: -5.104814288539914
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Energy: -2.2611376844899955
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Energy: 0.8052063870372748
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Energy: 0.8051939996130502
Energy: -2.510940330171596
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Energy: -2.78418858691585
Energy: 0.6277367600465767
Energy: -4.916950872994676
Energy: 0.6277367569072545
Energy: -4.437218087086065
Energy: 0.6304925759563782
Energy: 0.5402163349105715
Energy: 0.6304925759136272
Energy: 0.5402163348612202
Energy: 0.6304925758775434
Energy: 0.5402163347875449
Energy: 0.5838912030533188
Energy: 0.5308207604429888
Energy: 0.5838912030805573
Energy: 0.5308207603391265
Energy: 0.5838912030783461
Energy: 0.530820760335441
Energy: -2.7422251018997708
Energy: 0.545477810177858
Energy: -4.25181916007273
Energy: 0.5454778102242945
Energy: -2.5403741458214766
Energy: 0.5454778101874402
Energy: 0.46566598509408813
Energy: -3.034793827296546
Energy: 0.46566598509187684
Energy: -2.5250731065314866
Energy: 0.465665985092614
Energy: -2.4889281872540234
Energy: -2.871544059802123
Energy: -3.5416221004914967
Energy: -2.3153300516336035
Energy: -2.4600886781792113
Energy: -2.5556653141413195
Energy: -2.5961963512282824
Energy: -2.402050569758732
Energy: -2.6932771554550303
Energy: -2.608305296405404
Energy: -2.706662090034901
Energy: -2.519412996614872
Energy: -2.5599104928771848

minimum gb energy = -5.104814288539914 eV
minimum distance =  2.31967533961178 Angstroms
sigma value = 33


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

Energy: -2.1782367920997605
Energy: -1.9441988256597613
Energy: -2.819452338620231
Energy: -2.7696696611972706
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Energy: -2.56876783924107
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Energy: -2.3510050961277678
Energy: -2.0545811753233956
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Energy: -3.317109651776708
Energy: -3.215307436996145
Energy: -3.7542359962255865
Energy: -3.522684535483692
Energy: -2.890864422969971
Energy: -2.5670131068177837
Energy: -2.8118049695062055
Energy: -2.721055747588729
Energy: -2.35506821639953
Energy: -2.1470098960816317
Energy: -2.975540073065301
Energy: -2.4271481822490664
Energy: -2.8633304131245936
Energy: -2.987359001674163
Energy: -2.82782395143694
Energy: -2.4628424408726106
Energy: -2.055162549018331
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Energy: 0.6942937290384372
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Energy: -1.9747374329586251
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Energy: -1.9565904355609771
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Energy: -2.9250537046092413
Energy: -1.9574579749608072
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Energy: 0.48299386621569584
Energy: 0.42462528956796053
Energy: 0.48299386621653434
Energy: 0.42462528954070916

minimum gb energy = -4.217905403282247 eV
minimum distance =  2.31120465469041 Angstroms
sigma value = 51


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

Energy: 0.7106232100783783
Energy: 0.6590755939035549
Energy: 0.7106232100735214
Energy: 0.6590755316827632
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Energy: -1.6829956948440081
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Energy: -1.6948118338568885
Energy: 0.6310333204685736
Energy: -1.5733738932852808
Energy: 0.6310328588194197

minimum gb energy = -1.9747622899975552 eV
minimum distance =  2.34563955912125 Angstroms
sigma value = 19


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

Energy: 0.5942660479894266
Energy: 0.28602167580745563
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Energy: -1.2920355609869103
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Energy: -1.5061597820352408
Energy: -1.335757669958743
Energy: -1.285676951192908
Energy: -2.2882669585415534
Energy: -1.2869734314282981
Energy: -2.378261309626784
Energy: -1.2825840832252937
Energy: -2.702814486446579
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Energy: 0.6892234388756374
Energy: -1.4205767614523976
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Energy: -2.255910050697637
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Energy: -1.4666706762148511
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Energy: -1.385203611805052
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Energy: -1.3889640809286936
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Energy: -1.3951464805007856
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Energy: 0.5129112798835469
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Energy: 0.5129112798841231
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Energy: -1.3999914026787994
Energy: 0.5361000607832284
Energy: -1.3569934034431268
Energy: -1.4780844439742256
Energy: -1.2485366482103146
Energy: -2.5723880847719562
Energy: -1.2238327634274175
Energy: -2.4049573048485082
Energy: -1.193136153592633
Energy: -2.578156259967342
Energy: 0.6892234389056002
Energy: -1.902906057966771
Energy: 0.689223438882552
Energy: -1.5188037435577793
Energy: 0.6892234388854329
Energy: 0.5164177825922451
Energy: -1.7880832537941065
Energy: 0.5164177825922451
Energy: -1.7631199425298008
Energy: 0.5164177825916689
Energy: -1.747597864078366
Energy: -1.4523653776761354
Energy: 0.7416481582199513
Energy: -1.5202602900039814
Energy: 0.741648158219375
Energy: -2.029290297358213
Energy: 0.74164815820497
Energy: -1.382377111731846
Energy: 0.7520710082023145
Energy: -2.409510472351026
Energy: 0.7520707812668915
Energy: -1.3912479051147746
Energy: 0.7520694852910894

minimum gb energy = -2.702814486446579 eV
minimum distance =  2.33437841951343 Angstroms
sigma value = 27


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

Energy: 0.43406606756207883
Energy: 0.2621210436388298
Energy: 0.43406606756207883
Energy: 0.26212104363741845
Energy: 0.43406606756066746
Energy: 0.2621210436388298
Energy: -1.5221230491720747
Energy: 0.03431521129208774
Energy: -1.7258534801740466
Energy: 0.03450559822571127
Energy: -1.822972027062159
Energy: 0.03080112079942393
Energy: 0.1589813817658771
Energy: 0.5814311487910226
Energy: 0.15898138176023144
Energy: 0.5814311487896112
Energy: 0.1589813817630543
Energy: 0.5814311487881999
Energy: -0.5299885317422622
Energy: 0.24289160861981537
Energy: -0.902748154845228
Energy: 0.24289160861137898
Energy: -0.6056546087989353
Energy: 0.24289160861558112
Energy: -0.674001233846096
Energy: 0.23597313201549006
Energy: -0.8690198500639628
Energy: 0.23597313201266723
Energy: -0.7096463989445954
Energy: 0.23597313201690145
Energy: -0.020131031586701736
Energy: 0.7264580328222433
Energy: -0.21410153715648897
Energy: 0.7264572877087841
Energy: -0.3366770022116857
Energy: 0.7264568954983751
Energy: -0.5508580097546981
Energy: 0.033713487626490166
Energy: -0.12758960241535586
Energy: 0.035521864183804396
Energy: -0.12887182101974248
Energy: 0.03515185030667776
Energy: 0.4360432794372911
Energy: 0.25164715631533646
Energy: 0.43604327943587956
Energy: 0.25164715631533646
Energy: 0.43604327943587956
Energy: 0.2516471563167479
Energy: -2.220901350036987
Energy: 0.1572278497702063
Energy: -2.3056747938264994
Energy: 0.15722784977302912
Energy: -2.2405553966844405
Energy: 0.15722784977161772
Energy: 0.2827352747318369
Energy: -1.8734338768966374
Energy: 0.2827352747304255
Energy: -1.1969866398446587
Energy: 0.2827352747318369
Energy: -1.2179455579142326
Energy: -1.9178002627167756
Energy: 0.24608983550717436
Energy: -1.9314737057053029
Energy: 0.24608983551140862
Energy: -0.7887214855387021
Energy: 0.24608983551140862
Energy: -0.7296286418085896
Energy: -0.4175149908907919
Energy: -0.571748992036563
Energy: 0.041821319915308484
Energy: -0.572247895012638
Energy: 0.043162817722000764

minimum gb energy = -2.3056747938264994 eV
minimum distance =  2.34748106108446 Angstroms
sigma value = 9


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

Energy: 0.60466335632898
Energy: -4.731688162057782
Energy: 0.6046633563281869
Energy: -4.3066348086835475
Energy: 0.6046633563266006
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Energy: -4.199471771541056
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Energy: -3.128139586296902
Energy: -5.316909607970669
Energy: -3.1795050104577474
Energy: -6.304787570083673
Energy: 0.3255284806126035
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Energy: 0.32552848059003486
Energy: -5.166302651898232
Energy: 0.32552848058884515
Energy: -5.5756948839062
Energy: -5.819509323292762
Energy: -5.564440367028641
Energy: -5.077618976967258
Energy: -4.747538270975244
Energy: -4.328230139678854
Energy: -5.418903374075627
Energy: -5.1719628053976585
Energy: -5.479354186900974
Energy: -2.6370100311535203
Energy: -5.3939385744957224
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Energy: -6.297149425582421
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Energy: -3.429786975573559
Energy: -2.5414069110596236
Energy: -4.057186060148443
Energy: -2.645933189884509
Energy: -4.015503658367481
Energy: -2.5952745755009223
Energy: -3.672948680988481
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Energy: -4.671656756808568
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Energy: -3.705856682086447
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Energy: -5.363510862127571
Energy: -4.7109938126062225
Energy: -5.166435628528937
Energy: -4.325518651680021
Energy: -5.783247072488024
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Energy: -5.220397163546026
Energy: -5.7150475397376646
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Energy: -4.058512956484796
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Energy: -4.839810313550497
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Energy: -2.6488781033232924
Energy: -3.026205815886075
Energy: -2.757075451722421
Energy: -3.269028335218881
Energy: -2.8118441728397996
Energy: -3.210481578164206
Energy: -5.713096148087695
Energy: 0.2716471549472127
Energy: -4.976624937099132
Energy: -2.7376686097639618
Energy: -5.56259959714109
Energy: -2.716853291851832
Energy: 0.6046633563305664
Energy: -5.14337629775994
Energy: 0.6046633563281869
Energy: -3.7328200705928034
Energy: 0.6046633563329459
Energy: -5.928941289237163
Energy: -6.077110832038445
Energy: -5.15860256985049
Energy: -5.055214665068009
Energy: 0.23467086244276067
Energy: -5.072687589323195
Energy: 0.23467288699901492
Energy: -6.208896860500111
Energy: -2.559687361709346
Energy: -2.8065783940887554
Energy: -3.103312715418409
Energy: -2.906326395498597
Energy: -3.08974566780306
Energy: -5.976455206984093
Energy: 0.32552848058329314
Energy: -5.3253498233620125
Energy: 0.32552848058368966
Energy: -4.561571406486437
Energy: 0.32552848058368966
Energy: -4.210046345798325
Energy: -5.364802733294216
Energy: -3.6309009734662765
Energy: -5.858317743529923
Energy: -3.5814366351607148
Energy: -5.659399857146761

minimum gb energy = -6.585166971746976 eV
minimum distance =  2.23362715868579 Angstroms
sigma value = 57


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

Energy: 0.3877117751197527
Energy: 0.3926529632100691
Energy: 0.3877117751188499
Energy: 0.3926529632100691
Energy: 0.3877117751197527
Energy: 0.3926529632100691
Energy: 0.44740330391257904
Energy: -0.5570119914196799
Energy: 0.44740330391438454
Energy: -0.5570545447357583
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Energy: -0.5578945041486437
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Energy: 0.2889126166688639
Energy: 0.3194964868584384
Energy: 0.2889126166760859
Energy: 0.31949648685663284
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Energy: 0.16985973389644807
Energy: 0.39274311775302584
Energy: 0.16985973382426958
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Energy: 0.16985973396321008
Energy: 0.39274311775302584
Energy: 0.44752843101870005
Energy: 0.44385439572151475
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Energy: 0.4438543957224175
Energy: 0.4475284310196028
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Energy: 0.13670709249382026
Energy: 0.4140971318405179
Energy: 0.13670709250013946
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Energy: 0.13241451767197684
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Energy: 0.4474500664439339
Energy: 0.4438233490640483
Energy: 0.4474500664430312
Energy: 0.443823349064951
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Energy: 0.19704800772829534
Energy: 0.39287415107159235
Energy: 0.19704800774183648
Energy: 0.39287415107249507
Energy: 0.19704800773280906
Energy: 0.39287415107159235
Energy: 0.30248703668695187
Energy: 0.28778942178319306
Energy: 0.3024870366842437
Energy: 0.28778942180034517
Energy: 0.3024870366905629
Energy: 0.2877894216225867
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Energy: -0.5535039260232714
Energy: 0.44742509846732914
Energy: -0.5537390656867748
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Energy: -2.1953647690350024
Energy: 0.3877117751188499
Energy: 0.3926529632091663
Energy: 0.3877117751188499
Energy: 0.3926529632091663
Energy: 0.3877117751197527
Energy: 0.3926529632100691
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Energy: -0.5566245431462021
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Energy: -0.5579460971414402
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Energy: -0.5565178385663058
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Energy: 0.28891261665983653
Energy: 0.31949648685302195
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Energy: 0.31949648683857806
Energy: 0.28891261666525303
Energy: 0.16985973382968603
Energy: 0.39274311775212317
Energy: 0.16985973368348253
Energy: 0.39274311775212317
Energy: 0.16985973355898595
Energy: 0.39274311775302584
Energy: 0.44752843101870005
Energy: 0.4438543957224175
Energy: 0.44752843101870005
Energy: 0.44385439572151475
Energy: 0.44752843101870005
Energy: 0.4438543957224175
Energy: 0.13670709250375043
Energy: 0.4140971318405179
Energy: 0.13670709250194496
Energy: 0.41409713184142066
Energy: 0.1367070924965285
Energy: 0.4140971318405179
Energy: 0.13241451769544818
Energy: 0.41407987988074324
Energy: 0.13241451769544818
Energy: 0.41407987988074324
Energy: 0.13241451766926862
Energy: 0.4140798798798405
Energy: 0.4474500664439339
Energy: 0.4438233490640483
Energy: 0.4474500664439339
Energy: 0.44382334906314547
Energy: 0.4474500664448367
Energy: 0.4438233490640483

minimum gb energy = -2.1953647690350024 eV
minimum distance =  2.47305114168375 Angstroms
sigma value = 11


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

Energy: -3.0290046607208625
Energy: 0.3014298606838506
Energy: -2.8933766819782707
Energy: 0.30142984863079825
Energy: -2.887110188508275
Energy: 0.30142984291266806
Energy: -3.7233889245321308
Energy: -3.4560911297847494
Energy: -3.757003941327957
Energy: -3.0691038175201486
Energy: -3.531667574416273
Energy: -3.129944115156644
Energy: -3.340068938987038
Energy: -3.4494412370039345
Energy: -0.0022373392352033564
Energy: -3.782992095274984
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minimum gb energy = -4.576202922966936 eV
minimum distance =  2.28410121254135 Angstroms
sigma value = 41


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

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minimum gb energy = -3.1113693595247054 eV
minimum distance =  2.31601890284207 Angstroms
sigma value = 33


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

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Energy: -3.84994292684933
Energy: -3.30886888193317
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Energy: -0.4950248023644567
Energy: 0.12634846119895105
Energy: -0.49502102898925426
Energy: 0.14446793605724415

minimum gb energy = -6.698773585133912 eV
minimum distance =  2.40358143847795 Angstroms
sigma value = 67


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

Energy: 0.08119964579973729
Energy: -0.45842195539681563
Energy: 0.08119964579851496
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Energy: -0.23883458754680278
Energy: 0.40304731421145623
Energy: -0.23883458754705286
Energy: 0.4030473142087616

minimum gb energy = -0.45842195539681563 eV
minimum distance =  2.41800264515743 Angstroms
sigma value = 3


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

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Energy: -1.1117554348704168
Energy: -1.8877688385649305

minimum gb energy = -6.051590427003876 eV
minimum distance =  2.33329782201067 Angstroms
sigma value = 81


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

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Energy: -2.6851231701681684
Energy: -0.13117917631144693
Energy: -1.5253839458625191
Energy: -2.5257514645664614
Energy: -1.5526923372555137
Energy: -2.5048623215588663
Energy: -0.9054239746962983
Energy: -2.5048891228420263
Energy: -2.5066147762057227
Energy: -3.598767896858861
Energy: -2.506614778686627
Energy: -3.598768023937747
Energy: -2.5066147804409713
Energy: -3.598767951338306
Energy: -2.498255333180556
Energy: -0.6945175392122446
Energy: -2.498255332796729
Energy: -3.035013561053991
Energy: -2.4982553320528194
Energy: -0.6945175392122446

minimum gb energy = -3.89402849338602 eV
minimum distance =  2.39963897681403 Angstroms
sigma value = 43


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

Energy: -0.1438608689550894
Energy: -0.45827107268269973
Energy: -0.1438608689550894
Energy: -0.45827107269503825
Energy: -0.14386086895452857
Energy: -0.4582710726849431
Energy: -0.3763348461472771
Energy: -0.5380835495509004
Energy: -0.37633484614279045
Energy: -0.5380835475809775
Energy: -0.37633484614447293
Energy: -0.5380835475714688
Energy: -0.7888075168251515
Energy: -0.117414568044956
Energy: -0.836937558553294
Energy: -0.11741456811388824
Energy: -0.8677261181982596
Energy: -0.11741456816826416
Energy: -0.479304067770558
Energy: -0.6267579293835785
Energy: -0.4793040677593412
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Energy: -0.47114818286769805
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Energy: -0.8926454453818563
Energy: -0.471148182871063
Energy: -0.8641165883671109
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Energy: -0.3835475589351643
Energy: -0.5518889101386701
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Energy: -0.5006678538764657
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Energy: -0.5006678538826349
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Energy: -0.6892898280944956
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Energy: -0.7017734480520134
Energy: -0.39106108908321324
Energy: -1.9005093059119633
Energy: -0.738459808548596
Energy: -0.6899849126945543
Energy: -0.8452518449316005
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Energy: -0.8491372359891562
Energy: -0.6899849126928719
Energy: -0.8054509993525991
Energy: -0.292235435838885
Energy: -0.8673341987663673
Energy: -0.2922354358203773
Energy: -0.8686741669489771
Energy: -0.2922354358203773
Energy: -0.5186736803302384
Energy: -2.6126311995145857
Energy: -0.5186736803307993
Energy: -2.490601429305325
Energy: -0.5186736803347252
Energy: -0.7945508809197304
Energy: -0.37910932977375256
Energy: -2.386190495336079
Energy: -0.37910932976085326
Energy: -2.3198911432082094
Energy: -0.379109329768705
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Energy: -2.6741807123076975
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Energy: -2.887701210335601
Energy: -0.4861124479779701
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Energy: -0.5014815679719966
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Energy: -0.31209083233670026
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Energy: -0.5011160250537745
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Energy: -1.055191016559582
Energy: -0.535955731410186
Energy: -0.5016202242914425
Energy: -0.6022505743726951
Energy: -0.5031198538387462
Energy: -0.592131854563436
Energy: -0.501927749492905
Energy: -0.6191435092609101
Energy: -0.30920578896499495
Energy: -0.9629539411025217
Energy: -0.3092057056242608
Energy: -0.9626884241287014
Energy: -0.3092054705075889
Energy: -0.962872977777828
Energy: -0.6978720347838712
Energy: -0.3304097969329971
Energy: -0.6978720347872363
Energy: -0.3304097966028157
Energy: -0.6978720347872363
Energy: -0.3304097967827432
Energy: -2.016523373489508
Energy: -0.38516784032459794
Energy: -0.8331734931048763
Energy: -0.38516784032459794
Energy: -2.5660315164146152
Energy: -0.38516784032294094
Energy: -0.3510004009470219
Energy: -0.5209007259855011
Energy: -0.3510004009487044
Energy: -0.5209007259770885
Energy: -0.3510004009470219
Energy: -0.5209007259770885
Energy: -0.2937549110256424
Energy: -0.6431413769490101
Energy: -0.29375491106375395
Energy: -0.6431413764697219
Energy: -0.29375491086251454
Energy: -0.6431413762443665
Energy: -0.7745738590272697
Energy: -0.4891856046822619
Energy: -0.7813116157812462
Energy: -0.48918560550129137
Energy: -0.7705030230552948
Energy: -0.4891856059295688
Energy: -0.5019232174446855
Energy: -0.6791189126826466
Energy: -0.50048792648276
Energy: -0.67911891268489
Energy: -0.49134283230223064
Energy: -0.6791189126820858
Energy: -0.35087522657771136
Energy: -0.6761451095663361
Energy: -0.3508752267161877
Energy: -0.6724172370794692
Energy: -0.35087522674981253
Energy: -0.6749106182478886
Energy: -0.3188267799724038
Energy: -0.42497271844334705
Energy: -0.31882677997128206
Energy: -0.42497271836149003
Energy: -0.3188267799718429
Energy: -0.4249727184797762
Energy: -0.5438414140021531
Energy: -0.3646759038126838
Energy: -0.5532944603819465
Energy: -0.3646759038143663
Energy: -0.552736149575455
Energy: -0.3646759038143663

minimum gb energy = -2.96675281297611 eV
minimum distance =  2.39612941702454 Angstroms
sigma value = 57


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

Energy: -0.6427359474847409
Energy: -1.1836378308875148
Energy: -0.6477110540539059
Energy: -1.1787097994336693
Energy: -0.644443047527676
Energy: -1.1776884375854715
Energy: -0.9178566870014746
Energy: -1.1839717160808823
Energy: -0.9083453902943992
Energy: -1.1668593719588234
Energy: -0.9084307700131846
Energy: -1.1664527827895095
Energy: -1.4580851070146812
Energy: -0.6554923137129349
Energy: -1.446253958654942
Energy: -0.6576175431408191
Energy: -1.4516994412746733
Energy: -0.6576454692355911
Energy: -0.6361136367872368
Energy: -1.135139290180355
Energy: -0.6770502707055258
Energy: -1.13544839521267
Energy: -0.6264028669847022
Energy: -1.1355009411134689
Energy: -1.0393398404184
Energy: -1.673604670410632
Energy: -1.0380602256078888
Energy: -1.1441159031309798
Energy: -1.097186920569963
Energy: -1.159610847972975
Energy: -1.4491427653264601
Energy: -1.0845383585416835
Energy: -1.4571115927495257
Energy: -1.084538240725518
Energy: -1.4509296928643645
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Energy: -1.1705104869582865
Energy: -0.7857279440173845
Energy: -1.1558079671662334
Energy: -0.7924792767557596
Energy: -1.155740053832547
Energy: -0.7918045236609375
Energy: -0.6722028621997022
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Energy: -0.668807168033234
Energy: -1.1871711517889263
Energy: -0.6679153910007417
Energy: -1.1872198625173143
Energy: -0.9791215236320947
Energy: -1.185212122536712
Energy: -0.9791215322761551
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Energy: -1.1917859315643435
Energy: -1.7326510394778996
Energy: -0.9349415462013942
Energy: -1.7313274844427362
Energy: -0.9297973727451244
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Energy: -1.0816100017581767
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Energy: -1.270287857907225
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Energy: -2.3435167621230426
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Energy: -1.5578156002129528
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Energy: -1.0485104485860037
Energy: -1.2285792018133068
Energy: -1.0856831436012442
Energy: -1.2233148736106934
Energy: -1.0830805175742781
Energy: -1.2224664898012885
Energy: -1.183477989338783
Energy: -1.201914916166324
Energy: -1.184913319835009
Energy: -1.203694116744163
Energy: -1.1843991721952654
Energy: -1.2027958512282242
Energy: -0.9821146183739211
Energy: -1.1879155257855947
Energy: -0.9821146135985812
Energy: -1.1806369753627137
Energy: -0.9821145987028174
Energy: -1.1805197310345728
Energy: -1.724637790535736
Energy: -0.9140784443014874
Energy: -1.7245754499106725
Energy: -0.914446676877247
Energy: -1.7247129144433204
Energy: -0.915268423032779
Energy: -1.1906449966347803
Energy: -1.520626095474003
Energy: -1.1902838262993232
Energy: -1.396249095404204
Energy: -1.1780596265478815
Energy: -1.5562209690345707
Energy: -1.7096846200333184
Energy: -0.9276503052857713
Energy: -1.729200141920209
Energy: -0.9276761892045533
Energy: -1.7294469879108985
Energy: -0.9376252677164568
Energy: -0.9558936757619672
Energy: -1.1749610676389157
Energy: -0.955893675843991
Energy: -1.1788776629851898
Energy: -0.955893675805504
Energy: -1.1803903653426173
Energy: -1.169052426879377
Energy: -1.1720825687367353
Energy: -1.1835960271848733
Energy: -1.172549053412704
Energy: -1.1834769289524973
Energy: -1.1720071539201007
Energy: -1.0853455442954192
Energy: -1.2089251429838077
Energy: -1.0898977913161567
Energy: -1.2089251430143069
Energy: -1.0903030986752018
Energy: -1.2089251431485817
Energy: -1.6336010161162748
Energy: -1.196200494028599
Energy: -1.5574355187597386
Energy: -1.193528360447649
Energy: -1.5577075883727933
Energy: -1.1943053194224487
Energy: -1.0827250928072951
Energy: -1.1911135703755706
Energy: -1.1027129337267987
Energy: -1.1914963627928556
Energy: -1.0820251436656703
Energy: -1.2257890806305831

minimum gb energy = -2.431832372988751 eV
minimum distance =  2.37457666792494 Angstroms
sigma value = 17


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

Energy: -1.355418322309912
Energy: -1.3828439439162972
Energy: -1.355418322238072
Energy: -1.3828439438269988
Energy: -1.3554183222760692
Energy: -1.3828439438362414
Energy: -1.4955816694018156
Energy: -1.4465857538323172
Energy: -1.4955816694079773
Energy: -1.446586049317284
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Energy: -0.9653909854451103
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Energy: -1.7248306975162266
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Energy: -1.7217710821783727
Energy: -2.0058150278153453
Energy: -1.7217707283574515
Energy: -2.0002970596116745
Energy: -1.7217705887812689
Energy: -1.9691977286684232
Energy: -1.866248409479795
Energy: -1.6325812598202747
Energy: -1.866965696499592
Energy: -1.683064532610972
Energy: -1.866788776376065
Energy: -1.741031523983653
Energy: -1.6681833974367055
Energy: -1.3985925226086708
Energy: -1.5371153717552053
Energy: -1.3985925327094284
Energy: -1.6096856077366215
Energy: -1.3985925223397486
Energy: -1.4045486017812319
Energy: -1.4837789981700493
Energy: -1.3677299152409916
Energy: -1.483778998298372
Energy: -1.4000159953466336
Energy: -1.483778998305561
Energy: -1.4294479717836386
Energy: -1.979854387893904
Energy: -1.4294479694822324
Energy: -1.990343920552861
Energy: -1.4294479706606633
Energy: -2.0027621488367013
Energy: -1.7546226967372853
Energy: -1.4025094150045272
Energy: -2.1603940800536705
Energy: -1.4025094138014493
Energy: -2.056828299200193
Energy: -1.4025094158657694
Energy: -1.8704633392254908
Energy: -1.55085915751721
Energy: -1.8705059473026429
Energy: -1.550859617438143
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Energy: -1.354046295727308
Energy: -1.9453817128649191
Energy: -1.3540462956369825
Energy: -1.9453337894321001
Energy: -1.3540462956667643
Energy: -1.9452849336670262
Energy: -1.8642438395157213
Energy: -2.002828282348088
Energy: -1.8350929459504073
Energy: -2.0420178124654127
Energy: -1.8126366719397353
Energy: -2.0602742846373423
Energy: -1.7582160851261732
Energy: -1.303565539366612
Energy: -1.7734173726820865
Energy: -1.3035655399568313
Energy: -1.7674062165864697
Energy: -1.3035655391294787
Energy: -1.380678026377123
Energy: -2.09630120645114
Energy: -1.3806780264684755
Energy: -2.0963012075720613
Energy: -1.3806780262888516
Energy: -2.096301208485678

minimum gb energy = -2.1603940800536705 eV
minimum distance =  2.38633711203743 Angstroms
sigma value = 17


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

Energy: -2.406341394460224
Energy: -2.258783238485322
Energy: -2.4063395704698904
Energy: -2.258783239205175
Energy: -2.4063349827082177
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Energy: -2.654173868704739
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Energy: -3.2061185731068007
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Energy: -3.8027509433709823
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Energy: -2.1645372538214906
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Energy: -2.4063394169963686
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Energy: -2.704343706526334
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Energy: -2.5332977310835307
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Energy: -2.5332448433089234
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Energy: -2.6597358449896835
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Energy: -2.6074026917768505
Energy: -2.5443520636990438
Energy: -2.6117113162970678
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Energy: -2.177719233422274
Energy: -3.6784502008097104
Energy: -2.177841449334278
Energy: -2.2900982424173795
Energy: -2.177696548371892

minimum gb energy = -3.8027509433709823 eV
minimum distance =  2.37828482781361 Angstroms
sigma value = 57


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

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Energy: -3.2874018525391278
Energy: -3.0964549491368873
Energy: -3.2874018526882303
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Energy: -3.0589024621077754
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Energy: -3.8368792962471283
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Energy: -3.772529183886014
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Energy: -3.7904568270881405
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Energy: -3.7781532451271533
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Energy: -3.713954996255437
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Energy: -3.7596880414411022
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Energy: -2.944540908504083
Energy: -3.7149610240903628
Energy: -2.95879267850063
Energy: -3.842919443415987
Energy: -2.958658733963995
Energy: -3.0428196477477427
Energy: -3.9391389962856427
Energy: -3.042819647949089
Energy: -3.9391388801599745
Energy: -3.0428196503255593
Energy: -3.9391389096664478
Energy: -3.5628496450644898
Energy: -3.162340898257488
Energy: -3.4573918087776025
Energy: -3.1623409416026003
Energy: -3.4932292668960465
Energy: -3.1623407900124936
Energy: -3.8398762473673025
Energy: -4.039205218104998
Energy: -3.7102052229196847
Energy: -3.7291358911835397
Energy: -3.6324547238241194
Energy: -3.901509306437161
Energy: -3.530407282870154
Energy: -4.167218133377723
Energy: -3.530407282888234
Energy: -4.314093093217503
Energy: -3.5304072828494912
Energy: -4.063865872778145
Energy: -3.4132539002171165
Energy: -2.943396226487796
Energy: -3.3998613228331642
Energy: -2.943396226290324
Energy: -3.4215308669884847
Energy: -2.9433962262102553

minimum gb energy = -4.314093093217503 eV
minimum distance =  2.37364752228265 Angstroms
sigma value = 43


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

Energy: -2.005306941681245
Energy: -2.529914521836956
Energy: -2.005306881629135
Energy: -2.529914522364141
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Energy: -2.0160149314124847
Energy: -2.394316518158582
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Energy: -3.163528368483201
Energy: -2.3354173729118624
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Energy: -2.3354173729306815
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Energy: -2.7535596333751577
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Energy: -2.663747251243958
Energy: -2.639409117444741
Energy: -2.6830617832580645
Energy: -2.6394091174616783
Energy: -2.8631312957331563
Energy: -2.639409117460737
Energy: -2.416394834983512
Energy: -3.2080792382384966
Energy: -2.4440094032953215
Energy: -3.2475898614466994
Energy: -2.4454289637546043
Energy: -3.1471144833421247
Energy: -2.887995075504323
Energy: -2.632136032823383
Energy: -2.8220758066356186
Energy: -2.632136032887367
Energy: -2.814521553096206
Energy: -2.6321360329117893

minimum gb energy = -3.2475898614466994 eV
minimum distance =  2.37421115172733 Angstroms
sigma value = 81


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

Energy: 0.004179945610505758
Energy: -0.10610883978059965
Energy: 0.004179945610505758
Energy: -0.10610883977887102
Energy: 0.004179945610505758
Energy: -0.10610883978059965
Energy: 0.6265231879205999
Energy: -0.1066979814347639
Energy: 0.6265231879205999
Energy: -0.10669798143649252
Energy: 0.6265231879188714
Energy: -0.10669798143649252
Energy: 0.6265381728938306
Energy: -0.10671323875606221
Energy: 0.6265381728955592
Energy: -0.10671323875606221
Energy: 0.6265381728938306
Energy: -0.1067132387543336
Energy: 0.004179945610505758
Energy: -0.10610883978059965
Energy: 0.004179945610505758
Energy: -0.10610883978059965
Energy: 0.004179945610505758
Energy: -0.10610883977887102
Energy: 0.6265231879205999
Energy: -0.10669798143649252
Energy: 0.6265231879188714
Energy: -0.10669798143649252
Energy: 0.6265231879188714
Energy: -0.1066979814347639
Energy: 0.6265381728955592
Energy: -0.10671323875606221
Energy: 0.6265381728938306
Energy: -0.10671323875606221
Energy: 0.6265381728938306
Energy: -0.10671323875779083
Energy: 0.004179945610505758
Energy: -0.10610883977887102
Energy: 0.004179945610505758
Energy: -0.10610883978059965
Energy: 0.004179945610505758
Energy: -0.10610883977887102
Energy: 0.6265231879205999
Energy: -0.1066979814347639
Energy: 0.6265231879205999
Energy: -0.1066979814347639
Energy: 0.6265231879188714
Energy: -0.1066979814347639
Energy: 0.6265381728938306
Energy: -0.10671323875606221
Energy: 0.6265381728938306
Energy: -0.1067132387543336
Energy: 0.6265381728938306
Energy: -0.1067132387543336
Energy: 0.004179945610505758
Energy: -0.10610883978059965
Energy: 0.004179945610505758
Energy: -0.10610883977887102
Energy: 0.004179945610505758
Energy: -0.10610883977887102

minimum gb energy = -0.10671323875779083 eV
minimum distance =  2.43220005989753 Angstroms
sigma value = 3


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

Energy: -1.3089829051585808
Energy: -1.0871549357277703
Energy: -1.30898292068092
Energy: -1.1879510231403567
Energy: -1.308982627331451
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Energy: -0.9934266011185313
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Energy: -0.9741737108131064

minimum gb energy = -5.005372197950753 eV
minimum distance =  2.31655271203512 Angstroms
sigma value = 67


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

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Energy: -1.748621663497288
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Energy: -2.619674748886713
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Energy: -1.7935165655448897
Energy: -8.131129904919055
Energy: -1.8027029595731208
Energy: -7.742114562768355

minimum gb energy = -8.131154776937331 eV
minimum distance =  2.40763986189529 Angstroms
sigma value = 33


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

Energy: -3.8124774923440157
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Energy: -4.988110543299208
Energy: -0.628918474200865
Energy: -0.9731694564028586
Energy: -0.628714563963067

minimum gb energy = -5.86288860344017 eV
minimum distance =  2.32684311591841 Angstroms
sigma value = 41


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

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Energy: -2.9592047163913007
Energy: -0.2753668356706331
Energy: -0.45230238553863467
Energy: -2.1122722069540063
Energy: -0.5042699197828366
Energy: -3.3514119844522607
Energy: -0.35864488871858363
Energy: -4.1896194284364325
Energy: -0.6208043781598254
Energy: -3.2263249641028504
Energy: -0.6208244842953117
Energy: -2.6723747290831623
Energy: -0.6208127553654733
Energy: -2.432254017996097
Energy: -0.39473814903867915
Energy: -1.3696241049127542
Energy: -0.3947380037425526
Energy: -1.3696695257224485
Energy: -0.3947381870960045
Energy: -1.3696645333802533
Energy: -3.953652380930829
Energy: -0.8909803193026765
Energy: -3.8381081463121354
Energy: -0.8642101848152486
Energy: -1.457463466882293
Energy: -0.8875566715310688
Energy: -3.162061479811588
Energy: -0.3797373211352076
Energy: -2.5149262630648614
Energy: -0.34202020827059215
Energy: -2.857111038888186
Energy: -0.3396051772970315
Energy: -4.358312583940473
Energy: -1.4058749668884754
Energy: -4.233486235336153
Energy: -1.384548613517931
Energy: -4.168017396004366
Energy: -1.3848328266953516
Energy: -0.68867761437712
Energy: -1.363273683390823
Energy: -0.688677603241806
Energy: -1.3632753688001382
Energy: -0.6886776276179867
Energy: -1.363303751661931
Energy: -1.6625198217949193
Energy: -2.407305044678505
Energy: -1.6625092782182376
Energy: -2.449513679387354
Energy: -1.6625036011877277
Energy: -2.375774821827622
Energy: -1.7355993973853607
Energy: -1.3808662575131696
Energy: -1.7445552820014276
Energy: -1.3886839287295223
Energy: -1.8639485053756395
Energy: -1.3690678567995909

minimum gb energy = -4.358312583940473 eV
minimum distance =  2.38836537197683 Angstroms
sigma value = 11


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

Energy: -0.08707345413409048
Energy: -3.1515289813788367
Energy: -0.0870734544396205
Energy: -1.9546943392779403
Energy: -0.08707345434208542
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Energy: -1.543289364020069
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Energy: -0.33561991628797727
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Energy: -2.6940824895583324
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Energy: -2.057357228776948
Energy: -1.4344874618828236
Energy: -3.2175226128524708
Energy: -1.216733555008735
Energy: -1.4376454898934101
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Energy: -1.4955307614663944
Energy: -2.105272735556691
Energy: -3.3590603567793003
Energy: -1.4470360494398853
Energy: -3.0146457406948555
Energy: -1.617362094560585
Energy: -2.93848055205783
Energy: -1.662300828817673
Energy: -0.4158249813374267
Energy: -2.7438242016747854
Energy: -0.4594849377881253
Energy: -2.139181823829059
Energy: -0.41833299484243286
Energy: -0.2171889388425105
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Energy: -1.7863696683365953
Energy: -1.972982069990191
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Energy: -1.5889159312200094
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Energy: -3.2642004064814625
Energy: -2.0928544810024823
Energy: -2.8455954654843802
Energy: -1.890154347306662
Energy: -2.2842652372941115
Energy: -2.4966662832438415
Energy: -2.592044431586859
Energy: -2.83365173560086
Energy: -2.4436309840610875
Energy: -1.984880990490524
Energy: -1.282232880661085
Energy: -1.9647293739374894
Energy: -2.012847425621885
Energy: -2.3824011924760735
Energy: -1.9370350604730437
Energy: -2.451912462660816
Energy: -2.476654410707198
Energy: -1.660443242625588
Energy: -2.429116257234772
Energy: -3.2072766240198263
Energy: -2.2101216128818093
Energy: -3.6248549157483616
Energy: -1.4663216421031058
Energy: -2.984400833183618
Energy: -2.481159303989123
Energy: -3.061147808891643
Energy: -2.391560436409857
Energy: -0.9651531745943523
Energy: -2.5250329852496733
Energy: -1.0764768488752237
Energy: -2.2473687457510785
Energy: -0.9164661854755332
Energy: -1.8569359131510632
Energy: -1.2874033787042942
Energy: -2.649486596654983
Energy: -2.697239034800923
Energy: -2.2978380300138324
Energy: -2.51770796263517
Energy: -2.3126871262691813

minimum gb energy = -3.6248549157483616 eV
minimum distance =  2.28398763187679 Angstroms
sigma value = 57


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

Energy: -0.5618424096798341
Energy: -1.4063141828096073
Energy: -0.597980628281909
Energy: -1.5875275336775392
Energy: -0.614377242189363
Energy: -1.2988082774703378
Energy: -0.8342507369081907
Energy: -1.746556292072664
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Energy: -1.6350783438006613
Energy: -1.1970352998889255
Energy: -1.631119963679227
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Energy: -1.611239305636712
Energy: -0.7975930772613127
Energy: -1.6653888849554248
Energy: -3.2103843331771764
Energy: -1.657265191871829
Energy: 0.6510356848390749
Energy: 0.882783791528187
Energy: 0.6510356848341302
Energy: -1.587579027586301
Energy: 0.6510356848341302
Energy: -1.6213863067838523
Energy: -0.8143148126793468
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Energy: -2.2493128625066614
Energy: -1.692502936438204
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Energy: -0.8006013267472557
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Energy: -0.20269642579307415
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Energy: -0.5944483706039752
Energy: -2.6454006403800214
Energy: -0.8073423475244457
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Energy: -1.1815191950881487
Energy: -1.6892578500320883
Energy: -1.2246475457436072
Energy: -1.620354226982179
Energy: -1.0281297367924995
Energy: -1.3941017925846433
Energy: -1.0447205892877764
Energy: -1.6604395029940098
Energy: -1.0123518733776873
Energy: -1.6555432371948091
Energy: 0.6510356848351283
Energy: -1.5919421520224535
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Energy: -1.6301647649900717
Energy: 0.6510356848311362
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Energy: -1.167273418100521
Energy: -1.6934836626379453
Energy: -1.2540776784868426
Energy: -1.6826404439948208
Energy: -1.0560054563849253
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Energy: -1.6629815382223685
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Energy: -1.709415746349026
Energy: -0.786075852093855
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Energy: -0.20906308577163085
Energy: -1.5797260431007232
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Energy: -2.0853509689241676
Energy: -0.6210610124154866
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Energy: -0.8574035714212835
Energy: -1.4558014116589844
Energy: -1.2454436162432536
Energy: -1.684718631298517
Energy: -1.1830623807737797
Energy: -1.6226346958231077
Energy: -1.9106057821111169
Energy: -1.5709747772095302
Energy: -1.0841817955286828
Energy: -1.7118259040600874
Energy: -1.0459531981010928
Energy: -1.7077429303626703
Energy: 0.6510356848301382
Energy: -1.0806609293424516
Energy: 0.651035684843067
Energy: -0.9596180056721473
Energy: 0.651035684843067
Energy: -0.9579097388984898
Energy: -0.7970392918322242
Energy: -1.6706456179772255
Energy: -3.32135435909345
Energy: -1.663555832892252
Energy: -3.8356117749566967
Energy: -1.7051627304233274

minimum gb energy = -3.8356117749566967 eV
minimum distance =  2.39069151648898 Angstroms
sigma value = 9


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

Energy: -2.2722149569797163
Energy: -2.4574672998543488
Energy: -2.371484132105326
Energy: -2.2021851440872378
Energy: -2.287777684367951
Energy: -2.4548518553310226
Energy: -2.8655462844506947
Energy: -2.20840804672429
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Energy: -2.204162323912625
Energy: -2.4085656465299956
Energy: -2.1500167910944468
Energy: -2.3904005211458115
Energy: -1.9908289486318411
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Energy: -2.8744689255171156
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Energy: -3.0426014838300963
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Energy: -4.871115250862217
Energy: -1.8693323839826035
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Energy: -2.331853115733544
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Energy: -2.3979039247472436
Energy: -1.9201819471562025
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Energy: -2.2108123778696918
Energy: -2.1180832692949805
Energy: -2.361250388394076
Energy: -2.2756090893502487
Energy: -2.3288816865504476
Energy: -2.52252842097194
Energy: -2.4750109967036384
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Energy: -3.342252213993337
Energy: -2.0621913248232646
Energy: -3.297513850183155
Energy: -2.039087236236848
Energy: -3.4712740883900572

minimum gb energy = -4.871115250862217 eV
minimum distance =  2.27514827109014 Angstroms
sigma value = 27


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

Energy: -1.6044411483241496
Energy: -2.1460026763387265
Energy: -1.4714144246826903
Energy: -1.967301098661269
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Energy: -1.3569107473137227
Energy: 0.6372014136205753
Energy: -1.233879134613287
Energy: -1.460154690938312
Energy: -2.178031315700583
Energy: -1.6395742484329447
Energy: -2.1535135713710716
Energy: -1.3699028780404123
Energy: -2.12638864720016
Energy: 0.8302222549010306
Energy: -1.682504957303256
Energy: -1.1554432273465274
Energy: -2.01909584890352
Energy: -1.9795785368515149
Energy: -2.0215096058635798
Energy: 0.7317286606857998
Energy: -1.4877465521507474
Energy: 0.7317286606851129
Energy: -1.7962755969134159
Energy: 0.7317286606851129
Energy: -1.5114135930353298
Energy: -1.7755300214508187
Energy: -1.4270996577821218
Energy: -1.7755300206378901
Energy: -1.0407294794746853
Energy: -1.7755300217920442
Energy: -1.3465234771353567
Energy: 0.7332212808218314
Energy: -1.9870293356955655
Energy: 0.7332212808197707
Energy: -1.851605025445594
Energy: 0.7332212808232051
Energy: -2.0055833086982577
Energy: -2.0377562098578714
Energy: -1.8891878173808343
Energy: -2.069914637554407
Energy: -1.8417723988760675
Energy: -2.0806150583481333
Energy: -1.5843476173792055

minimum gb energy = -2.9559976221066773 eV
minimum distance =  2.23993047300148 Angstroms
sigma value = 19


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

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Energy: -1.0620886801961391
Energy: -1.0689570512069904
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Energy: -1.2717241259053673
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Energy: -1.1739510558501354
Energy: -1.2140489360348843
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Energy: -1.0407041857896764
Energy: -1.181538823105164
Energy: -1.3408722633843326
Energy: -1.4975203314924557
Energy: -1.1582067550022306
Energy: -1.331337633034609
Energy: -1.1520756279145787
Energy: -1.3506846764693599
Energy: -1.0740796335187792
Energy: -1.3952453304408166
Energy: -1.4113127610768774
Energy: -1.5246995693057916
Energy: -1.4032816119793607
Energy: -1.529968228247147
Energy: -1.047536831936849
Energy: -1.3171051478628562
Energy: -1.373210864259372
Energy: -1.154287539505828
Energy: -1.8162996684654134
Energy: -1.1459060186475207
Energy: -1.6582520151127982
Energy: -1.3808261494463219
Energy: -1.7263666287065298
Energy: -1.1478184848745463
Energy: -1.655942012742812
Energy: -0.9741330186998385
Energy: -1.213601975997687
Energy: -1.1705400621368658
Energy: -1.3720380752314731
Energy: -1.0181763839777598
Energy: -1.2022912432988533
Energy: -0.932559882359652
Energy: -1.5670637116777284
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Energy: -1.4725021157239815
Energy: -0.7044390728861327
Energy: -1.4355208610252
Energy: -1.1625341217052458

minimum gb energy = -2.180910405697586 eV
minimum distance =  2.29237269603924 Angstroms
sigma value = 101


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

Energy: -1.7189729486684509
Energy: -1.6839532057636935
Energy: -1.5316865971771747
Energy: 0.2458292621329178
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Energy: -1.2820751137884905
Energy: -1.2373230455200372
Energy: 0.7514141516873083
Energy: -1.2887938480286079
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Energy: -3.3583331004500434
Energy: -1.5301510093297017
Energy: -1.86383995230258
Energy: -1.2983187187882255
Energy: -1.682481273422786
Energy: -1.508181915481774
Energy: -4.169869032960432
Energy: -3.8980712823097488
Energy: -1.6612278639575422
Energy: -3.9739324234322595
Energy: -3.7123329433349617
Energy: -3.6655538932719933
Energy: -1.6943090364222742
Energy: -1.19220087058012
Energy: -1.2809003276806923
Energy: -2.9067998532170143
Energy: -1.2078073894968617
Energy: -2.2095776417596924
Energy: -1.108818580151789
Energy: -3.7363973156434134
Energy: -0.9612818776939479
Energy: -1.249247397404542
Energy: -1.1496669194773574
Energy: -3.335042221110259

minimum gb energy = -4.554198496529672 eV
minimum distance =  2.21784502639316 Angstroms
sigma value = 33


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

Energy: 0.016602353829368553
Energy: 0.48192565775358
Energy: 0.016602353829368553
Energy: 0.4819256577556971
Energy: 0.016602353829368553
Energy: 0.481925657754013
Energy: 0.017249531913505527
Energy: -5.397218119857331
Energy: 0.017249531912663492
Energy: -5.397218119853097
Energy: 0.017249531913505527
Energy: -5.397218119867074
Energy: 1.345868656672086
Energy: -5.398841434362922
Energy: 1.2544350251911753
Energy: -5.398841434362922
Energy: 0.48178554509644744
Energy: -5.39884143436884
Energy: 0.01724953191054637
Energy: -5.397218119856055
Energy: 0.01724953191011332
Energy: -5.397218119864958
Energy: 0.01724953191011332
Energy: -5.397218119854371

minimum gb energy = -5.39884143436884 eV
minimum distance =  2.45521799827831 Angstroms
sigma value = 1