Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5226424932479863
cohesive_energy=4.240930290808195
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.021187456341917613
Energy: 0.8472759512631726
Energy: 1.3963900482082747
Energy: 0.8477850158187101
Energy: 0.021187456341917613
Energy: 0.8472759512636819
Energy: 1.3963900482082747
Energy: 0.9776389270584045
Energy: 0.02170136099652759
Energy: 0.42745231135367173
Energy: 0.021835580459521296
Energy: 0.9776389270636778
Energy: 0.02170136099125418
Energy: 0.42745231135316236
Energy: 0.021187456341917613
Energy: 0.8472759512636819
Energy: 1.3963900482082747
Energy: 0.8477850158184406
Energy: 0.021187456341917613
Energy: 0.8472759512639515
Energy: 1.3963900482082747
Energy: 0.9776389270584045
Energy: 0.02170136099652759
Energy: 0.42745231135367173
Energy: 0.021835580459521296
Energy: 0.9776389270610413
Energy: 0.02170136099125418
Energy: 0.4274523113539414
Energy: 0.021187456341917613
Energy: 0.847275951262903
Energy: 1.3963900482082747
Energy: 0.8477850158184406
Energy: 0.021187456341917613
Energy: 0.8472759512642213
Energy: 1.3963900482082747
Energy: 0.9776389270584045
Energy: 0.02170136099652759
Energy: 0.4274523113539414
Energy: 0.021835580459521296
Energy: 0.9776389270636778
Energy: 0.02170136099125418
Energy: 0.42745231135316236

minimum gb energy = 0.021187456341917613 eV
minimum distance =  2.4733590817224 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 2.152277977966829
Energy: 2.021028514037459
Energy: 2.063563387186899
Energy: 2.0211370494048064
Energy: 2.1522779779636076
Energy: 2.021028514027795
Energy: 2.063563387193341
Energy: 2.0039271043300695
Energy: 1.9879552968312042
Energy: 2.04870424846904
Energy: 2.015731089578954
Energy: 2.0039271043300695
Energy: 1.9879552968086556
Energy: 2.0487042484980313
Energy: 2.0172651860601123
Energy: 2.023109537761254
Energy: 2.0034591923698297
Energy: 2.0139353419501966
Energy: 2.017265186069776
Energy: 2.0231095377548116
Energy: 2.0034591923730507
Energy: 2.09149729677761
Energy: 1.9925231408139605
Energy: 2.016462866083381
Energy: 2.05224170008625
Energy: 2.0914972967679466
Energy: 1.9925231407946333
Energy: 2.0164628660512274
Energy: 2.0503087042559143
Energy: 1.9968814103736818
Energy: 2.034892315240926
Energy: 2.0115791399410505
Energy: 2.050308704249472
Energy: 1.996881410354354
Energy: 2.034892315231262
Energy: 2.031325321643951
Energy: 2.043879089175563
Energy: 2.0424334063503133
Energy: 1.9936950148615582
Energy: 2.031325321653615
Energy: 2.0438790891691205
Energy: 2.04243340634065
Energy: 2.014702802272612
Energy: 2.0586599303117867
Energy: 2.0299180443787654
Energy: 2.0534722362624964
Energy: 2.014702802275833
Energy: 2.058659930314949
Energy: 2.029918044369102
Energy: 2.0137495691075693
Energy: 2.0155494976354507
Energy: 1.9946976487620962
Energy: 2.015418972346602
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Energy: 2.015549497612902
Energy: 1.9946976487395478
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Energy: 2.049643284618316
Energy: 1.978112564820039
Energy: 2.038466226485132
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Energy: 2.049643284586104
Energy: 1.9781125648522517
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Energy: 2.042899581118908
Energy: 2.0321891649315105
Energy: 2.02969483487839
Energy: 2.0501428044324648
Energy: 2.0428995811028012
Energy: 2.0321891649605015
Energy: 1.9941389012960349
Energy: 2.0514092521041323
Energy: 1.9595509035598404
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Energy: 1.9941389013024775
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Energy: 2.004118978398552
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Energy: 2.070447231878236
Energy: 2.0398195745654215
Energy: 2.0555487821540415
Energy: 2.0421193716056036
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Energy: 2.039819574533209
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Energy: 1.9743503258082573
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Energy: 2.0263273016702805
Energy: 1.989384330574719
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Energy: 2.030006461822275
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Energy: 2.0317256398080414
Energy: 2.0458408522250826
Energy: 2.04159534238493
Energy: 2.0352425305516864
Energy: 2.031725639820868
Energy: 2.0458408522057554
Energy: 2.0020896357819504
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Energy: 2.036308900615367
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Energy: 2.0356668497561987
Energy: 1.9715477079115487
Energy: 2.0699645101438913
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Energy: 2.0356668497626416
Energy: 1.9715477079018848
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Energy: 2.030173025872443
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Energy: 2.01335112441905
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Energy: 2.0378436905865134
Energy: 1.9918027326443883
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Energy: 2.0493255598509736
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Energy: 2.0156996790453903
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Energy: 1.9979625033582187
Energy: 2.00071723052386
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Energy: 2.046032896870825
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Energy: 2.044285096559841
Energy: 2.0547717012335496
Energy: 2.0460328968547192
Energy: 2.0957907507923603
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Energy: 2.0338882389588315
Energy: 1.9884241421962057
Energy: 2.0172799950396816
Energy: 2.032823518221609
Energy: 2.0338882389459467
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Energy: 2.132704405900409
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Energy: 2.016021772024197
Energy: 2.000419749218318
Energy: 2.1327044058875244
Energy: 1.986716333075629
Energy: 2.01602177203386
Energy: 2.0999687152948097
Energy: 2.09117497536186
Energy: 2.0115420662028503
Energy: 2.1221304562933967
Energy: 2.099968715288367
Energy: 2.09117497536186
Energy: 2.0115420662028503
Energy: 2.018010382239974
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Energy: 1.9455711175983987
Energy: 1.9926474911270347
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Energy: 2.033697166248004
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Energy: 2.067427535611013
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Energy: 2.067427535607792
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Energy: 2.012312078264927
Energy: 2.0164944258334736
Energy: 1.9762500366657771
Energy: 2.014581062652819
Energy: 2.0123120782745327
Energy: 2.016494425839916
Energy: 2.0534598779842
Energy: 2.043656748995176
Energy: 2.0106261514316373
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Energy: 2.0159426452039027
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Energy: 2.015439501076692
Energy: 2.0586212571253824
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Energy: 2.0155911713743815
Energy: 2.017420966705998
Energy: 1.9803459932779517
Energy: 2.029765167484773
Energy: 2.015591171380824
Energy: 2.017420966696334
Energy: 1.9803459932747307
Energy: 2.0494479288902134
Energy: 2.0430718498883795
Energy: 2.0051966627133493
Energy: 2.0300752911917175
Energy: 2.0494479288998186
Energy: 2.0430718498916005
Energy: 2.005196662745562
Energy: 1.9762021643681484
Energy: 2.0492686316896784
Energy: 2.0679843244635983
Energy: 2.0383404010242145
Energy: 1.9762021643745908
Energy: 2.0492686316703503
Energy: 2.067984324479705
Energy: 1.999362403821583
Energy: 2.0292966548754467
Energy: 2.009006548936557
Energy: 1.996089852745816
Energy: 1.9993624038054765
Energy: 2.029296654865783
Energy: 2.0090065489397784
Energy: 2.031862014740031
Energy: 2.0895239745626504
Energy: 1.9673569552052805
Energy: 2.0553722582777003
Energy: 2.0318620147271456
Energy: 2.089523974578756
Energy: 1.9673569551923955
Energy: 1.9916462897139044
Energy: 1.9705436134404797
Energy: 2.005902224697835
Energy: 2.0196496681757736
Energy: 1.9916462897042408
Energy: 1.9705436134404797
Energy: 2.0059022246817286
Energy: 2.0277543908537994
Energy: 2.0314588504485807
Energy: 2.016550200921005
Energy: 2.031627763334649
Energy: 2.0277543908570204
Energy: 2.0314588504518016
Energy: 2.01655020090812
Energy: 2.070580934022257
Energy: 2.0197091173939454
Energy: 2.0297283265593165
Energy: 1.976285350914627
Energy: 2.0705809340061503
Energy: 2.0197091173681754
Energy: 2.0297283265174406
Energy: 2.06394537885534
Energy: 2.0554131164118115
Energy: 1.9877797463134514
Energy: 2.0703924004385037
Energy: 2.063945378897216
Energy: 2.0554131164053695
Energy: 1.9877797463005666
Energy: 2.01964829098341
Energy: 2.031111828914963
Energy: 2.011092530994512
Energy: 2.048708688062279
Energy: 2.0196482909673623
Energy: 2.031111828885972
Energy: 2.0110925309687424
Energy: 1.976073105335507
Energy: 2.0521019068808712
Energy: 1.9993470152836605
Energy: 2.048589152805761
Energy: 1.976073105348392
Energy: 2.0521019068744284
Energy: 1.9993470152739965
Energy: 2.0492883574613288
Energy: 2.052490237519876
Energy: 2.0068274188068886
Energy: 2.051719262431622
Energy: 2.0492883574805982
Energy: 2.052490237497327
Energy: 2.0068274188068886
Energy: 1.9762515022822447
Energy: 2.049791370520517
Energy: 2.015665437942035
Energy: 2.0380996415026496
Energy: 1.976251502285466
Energy: 2.049791370510853
Energy: 2.015665437900158

minimum gb energy = 1.9455711175919561 eV
minimum distance =  2.20853305178776 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 2.050306641766549
Energy: 2.120837770408413
Energy: 2.033417391628217
Energy: 2.1116865748822695
Energy: 2.0503066417482665
Energy: 2.120837770408413
Energy: 2.0744376227348598
Energy: 2.0227124482976446
Energy: 2.125703473209858
Energy: 2.0585902804604506
Energy: 2.066232891081662
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Energy: 2.124232591957723
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Energy: 2.0050666370544095
Energy: 2.128338222600911
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Energy: 2.0037641920896196
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Energy: 2.0037641920859635
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Energy: 1.9988392049965644
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Energy: 2.120837770408413
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Energy: 2.0227379061213977
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Energy: 2.1257034732062015
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Energy: 2.0254467665595715
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Energy: 2.117519349074907
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Energy: 2.1283382226045675
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Energy: 2.0248093076572595
Energy: 2.003764192082307
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Energy: 1.9972136939516014
Energy: 2.1106483319948497
Energy: 2.003764192096933
Energy: 2.115855380861087
Energy: 1.9972136939442886
Energy: 1.9988392049965644
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Energy: 2.0024603595069403
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Energy: 2.048293723311361
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Energy: 2.064048477440885
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Energy: 2.0036963602690294
Energy: 2.060981322479306
Energy: 2.0337282185978416
Energy: 2.1263014070541226
Energy: 2.0036963602726865
Energy: 2.060981322479306
Energy: 2.0337282185978416
Energy: 2.0045564719571702
Energy: 2.123136156532938
Energy: 2.170444973574009
Energy: 2.1266488766207297
Energy: 2.0045564719681392
Energy: 2.123136156518312
Energy: 2.170444973574009
Energy: 2.004707951286581
Energy: 2.051471166890296
Energy: 2.1508918599750424
Energy: 2.1262044818021564
Energy: 2.0047079512902375
Energy: 2.051471166901265
Energy: 2.150891859982355
Energy: 2.003908440576917
Energy: 2.071864544601728
Energy: 2.0248907752698972
Energy: 2.127873903973386
Energy: 2.003908440569604
Energy: 2.071864544605384
Energy: 2.0248907752698972
Energy: 2.0414599414762016
Energy: 2.103127023645983
Energy: 2.026470069484641
Energy: 2.0784286636910574
Energy: 2.0414599414762016
Energy: 2.1031270236386708
Energy: 2.0264700694700815
Energy: 2.056670484500542
Energy: 2.120837770415726
Energy: 2.022737906128711
Energy: 2.1116865748822695
Energy: 2.0566704844968853
Energy: 2.120837770415726
Energy: 2.0227379061213977
Energy: 2.022712448304958
Energy: 2.125703473209858
Energy: 2.0264091920403913
Energy: 2.070059489346144
Energy: 2.022712448308614
Energy: 2.125703473184262
Energy: 2.0264091920403913

minimum gb energy = 1.9972136939369756 eV
minimum distance =  2.23937456391877 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.2090446922659086
Energy: 2.074917190380727
Energy: 2.24754800724925
Energy: 2.0749377986254753
Energy: 2.2090446922659086
Energy: 2.074917190373971
Energy: 2.2475480072446055
Energy: 2.1812685492741326
Energy: 2.0473164081593755
Energy: 2.0966782071803816
Energy: 2.09732729851761
Energy: 2.181268549271177
Energy: 2.047316408160642
Energy: 2.0966782071791146
Energy: 2.0126652366140494
Energy: 2.0163786597203344
Energy: 2.211142017714232
Energy: 2.06883470143934
Energy: 2.012665236613627
Energy: 2.0163786597144235
Energy: 2.2804098086511018
Energy: 2.0707225996222562
Energy: 2.091310478360261
Energy: 2.078171318318232
Energy: 2.023840376905564
Energy: 2.0707225996180343
Energy: 2.09131047836195
Energy: 2.0781713183173878
Energy: 2.186952122023296
Energy: 2.082560394932548
Energy: 2.165977139694202
Energy: 2.0114955554076555
Energy: 2.186952122027941
Energy: 2.082560394933392
Energy: 2.1681865205729434
Energy: 2.0705501298986344
Energy: 2.0238499830890717
Energy: 2.0416254232230098
Energy: 2.04362716305508
Energy: 2.0705501299003233
Energy: 2.023849983093716
Energy: 2.0416254232166766
Energy: 2.188147797246775
Energy: 2.074468049539884
Energy: 2.109252965152317
Energy: 2.1270199467937463
Energy: 2.1881477972455086
Energy: 2.074468049541995
Energy: 2.109252965156539
Energy: 2.0707505791004728
Energy: 2.097000601104338
Energy: 2.084935843220427
Energy: 2.091527651183619
Energy: 2.070750579093295
Energy: 2.0970006011034936
Energy: 2.084935843224227
Energy: 2.1882395828261165
Energy: 2.0909204892672597
Energy: 2.0777722142534754
Energy: 2.0997443544263295
Energy: 2.1882395828328725
Energy: 2.0909204892676825
Energy: 2.0777722142496753
Energy: 2.0648094147556573
Energy: 2.1008731853366625
Energy: 2.2467426796202616
Energy: 2.0759402201110992
Energy: 2.064809414758613
Energy: 2.100873185331174
Energy: 2.2467426796181504
Energy: 2.1878437135463304
Energy: 2.1121289666915497
Energy: 2.103709883978194
Energy: 2.024099147715531
Energy: 2.1878437135442192
Energy: 2.1121289666767717
Energy: 2.1037098839752386
Energy: 2.1052645661590197
Energy: 2.105826319009901
Energy: 2.1489039358411297
Energy: 2.2001672595041293
Energy: 2.1052645661552196
Energy: 2.10582631901159
Energy: 2.148903935839863
Energy: 2.1263508724225617
Energy: 2.04193448297183
Energy: 2.1659996135394146
Energy: 2.0797053547427806
Energy: 2.1263508724263613
Energy: 2.0419344829692965
Energy: 2.165999613528437
Energy: 2.153121657888389
Energy: 2.0181705838173087
Energy: 2.1756960516179875
Energy: 2.018248114864
Energy: 2.1531216578989443
Energy: 2.018170583819842
Energy: 2.1756960516205206
Energy: 2.1263159305221344
Energy: 2.0796745882517507
Energy: 2.1659941697973375
Energy: 2.041729763948975
Energy: 2.1263159305166837
Energy: 2.0796745882538614
Energy: 2.165994169798604
Energy: 2.1052774874598907
Energy: 2.2007581774067244
Energy: 2.1488284302855463
Energy: 2.1055676013220843
Energy: 2.105277487464958
Energy: 2.2007581774113683
Energy: 2.1488284302885017
Energy: 2.1877669702657236
Energy: 2.0240534253565294
Energy: 2.1037712540829694
Energy: 2.1121321672642215
Energy: 2.1877669702615017
Energy: 2.024053425353152
Energy: 2.103771254088842
Energy: 2.064963909067137
Energy: 2.075918731173716
Energy: 2.2466654098628798
Energy: 2.100848419748484
Energy: 2.064963909066715
Energy: 2.075918731177938
Energy: 2.2466654098595025
Energy: 2.1883911098820925
Energy: 2.0994853915194582
Energy: 2.0777480643067254
Energy: 2.090941824443461
Energy: 2.1883911098820925
Energy: 2.0994853915177694
Energy: 2.077748064307992
Energy: 2.0708488692520866
Energy: 2.0915236359911185
Energy: 2.0846991496860285
Energy: 2.0977536925042473
Energy: 2.07084886925082
Energy: 2.091523635997874
Energy: 2.0846991496877174
Energy: 2.188158575548428
Energy: 2.1269113423629453
Energy: 2.2457311336189276
Energy: 2.0744227947065457
Energy: 2.1881585755496946
Energy: 2.1269113423587234
Energy: 2.245731133627794
Energy: 2.070544291462832
Energy: 2.043649211825946
Energy: 2.041660315810011
Energy: 2.023867817550169
Energy: 2.070544291472543
Energy: 2.043649211824257
Energy: 2.041660315802411
Energy: 2.186922057030483
Energy: 2.0114975660582917
Energy: 2.1480729634104474
Energy: 2.082443820491744
Energy: 2.1869220570275276
Energy: 2.01149756606167
Energy: 2.1480729634138247
Energy: 2.0707069074733258
Energy: 2.023953364724693
Energy: 2.0783469134602774
Energy: 2.0912782879986684
Energy: 2.070706907482614
Energy: 2.023953364723004
Energy: 2.0783469134564774
Energy: 2.012630173655872
Energy: 2.0687239770045207
Energy: 2.1307526752735098
Energy: 2.0166875916356157
Energy: 2.0126301736605163
Energy: 2.0687239770074766
Energy: 2.13075267526591
Energy: 2.1809190881323186
Energy: 2.0974013961500613
Energy: 2.096337574349037
Energy: 2.0473537534637236
Energy: 2.1809190881331637
Energy: 2.0974013961542832
Energy: 2.0963375743405925
Energy: 2.209044692270131
Energy: 2.0749171903765045
Energy: 2.178742203147158
Energy: 2.074937798627164
Energy: 2.2090446922633755
Energy: 2.074917190377349
Energy: 2.1787422031484245
Energy: 2.1812685492644217
Energy: 2.0473164081585313
Energy: 2.0966782071867143
Energy: 2.0973272985129654
Energy: 2.1812685492707553
Energy: 2.0473164081602198
Energy: 2.0966782071862924
Energy: 2.012665236611516
Energy: 2.0163786597144235
Energy: 2.1881824713068356
Energy: 2.068834701448629
Energy: 2.012665236611938
Energy: 2.0163786597190674
Energy: 2.1881824713106353
Energy: 2.0707225996222562
Energy: 2.0913104783687055
Energy: 2.0781713183203427
Energy: 2.023840376911053
Energy: 2.070722599625634
Energy: 2.091310478360683
Energy: 2.0781713183224544
Energy: 2.186952122024985
Energy: 2.0825603949355034
Energy: 2.1400083637996095
Energy: 2.011495555419016
Energy: 2.186952122024563
Energy: 2.082560394933392
Energy: 2.140008363798343
Energy: 2.0705501299003233
Energy: 2.0238499830924495
Energy: 2.0416254232120328
Energy: 2.043627163060569
Energy: 2.0705501298944124
Energy: 2.023849983087805
Energy: 2.0416254232145654
Energy: 2.18814779724428
Energy: 2.074468049541573
Energy: 2.0547266157041824
Energy: 2.127019946803457
Energy: 2.188147797252686
Energy: 2.074468049539884
Energy: 2.054726615698271
Energy: 2.070750579098362
Energy: 2.0970006011102487
Energy: 2.084935843222538
Energy: 2.091527651178591
Energy: 2.0707505790975174
Energy: 2.0970006011077156
Energy: 2.0849358432271825
Energy: 2.1882395828349837
Energy: 2.0909204892621935
Energy: 2.0777722142505195
Energy: 2.0997443544347734
Energy: 2.188239582835828
Energy: 2.0909204892672597
Energy: 2.0777722142484083
Energy: 2.0648094147590355
Energy: 2.1008731853362406
Energy: 2.2467426796219505
Energy: 2.075940220108566
Energy: 2.0648094147632574
Energy: 2.1008731853358182
Energy: 2.2467426796168843

minimum gb energy = 2.0114955554076555 eV
minimum distance =  2.22557678549445 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 2.086910363070373
Energy: 2.1245669898332613
Energy: 2.1274280099064504
Energy: 2.124457453292298
Energy: 2.0869103630688777
Energy: 2.1245669898591717
Energy: 2.1673197892270717
Energy: 2.0650142197521326
Energy: 2.088688655423013
Energy: 1.9003696098258578
Energy: 2.0895062442585637
Energy: 2.0650142197471495
Energy: 2.0886886554274526
Energy: 1.9003696098183833
Energy: 2.0869753879126307
Energy: 1.944064441864216
Energy: 1.939040461638373
Energy: 2.1229179886012646
Energy: 2.0869753879150763
Energy: 1.9440644418587345
Energy: 1.9390404616353831
Energy: 2.063776913970448
Energy: 2.091352535119073
Energy: 1.9001393832831144
Energy: 2.0601075334037864
Energy: 2.063776913971943
Energy: 2.091352535125506
Energy: 1.9001393832821176
Energy: 2.131063581999679
Energy: 2.1223105439712535
Energy: 2.0499415457846935
Energy: 2.1230702684797764
Energy: 2.131063582015126
Energy: 2.1223105439827137
Energy: 2.0499415457921675
Energy: 2.0642827837007394
Energy: 2.0895420647241076
Energy: 2.1459591805071474
Energy: 2.062032469034028
Energy: 2.0642827837126987
Energy: 2.08954206471763
Energy: 2.145959180531065
Energy: 2.257490715612193
Energy: 2.1224816081697706
Energy: 2.159796926111558
Energy: 2.122872578295346
Energy: 2.2574907156017288
Energy: 2.1224816081782416
Energy: 2.1597969261060768
Energy: 2.0637417289214137
Energy: 1.9160058277575966
Energy: 2.0130936818967027
Energy: 1.9159761259758237
Energy: 2.0637417289214137
Energy: 1.916005827751119
Energy: 2.0130936819016405
Energy: 2.257738762305461
Energy: 2.1228921638764007
Energy: 2.0989054978378867
Energy: 2.122476733210172
Energy: 2.257738762309447
Energy: 2.122892163884374
Energy: 2.078518633871832
Energy: 2.074948530098232
Energy: 2.0620126260438854
Energy: 2.1457800722180167
Energy: 2.0895195878214907
Energy: 2.0749485301022186
Energy: 2.0620126260473737
Energy: 2.1457800722259894
Energy: 2.1309704826533498
Energy: 2.1230359097431974
Energy: 1.9701629564749643
Energy: 2.1223026177920135
Energy: 2.1309704826643117
Energy: 2.1230359097212723
Energy: 1.936606120896108
Energy: 2.063738381202766
Energy: 2.0601133440144923
Energy: 1.900358079592789
Energy: 2.0946196463265685
Energy: 2.063738381193344
Energy: 2.060113344019475
Energy: 1.9003580795783384
Energy: 2.0869792603240254
Energy: 2.122900316712927
Energy: 1.936279650934177
Energy: 1.9440864838997818
Energy: 2.086979260323029
Energy: 2.1229003167343534
Energy: 1.936279650925706
Energy: 2.0649968645968735
Energy: 2.089662443275864
Energy: 1.9005033873238266
Energy: 2.088674559613946
Energy: 2.0649968645938834
Energy: 2.089662443277359
Energy: 1.9005033873278128
Energy: 2.086910363074359
Energy: 2.124566989833759
Energy: 2.1205959349722416
Energy: 2.124457453289308
Energy: 2.0869103630718677
Energy: 2.1245669898616635
Energy: 2.120595934975729
Energy: 2.065014219754126
Energy: 2.088688655425505
Energy: 1.9003696098253593
Energy: 2.0895062442590615
Energy: 2.0650142197516344
Energy: 2.0886886554319375
Energy: 1.900369609814895
Energy: 2.0869753879126307
Energy: 1.9440644418667072
Energy: 1.9625808029164884
Energy: 2.1229179885992715
Energy: 2.0869753879136272
Energy: 1.9440644418602298
Energy: 1.9625808029115057
Energy: 2.0637769139729394
Energy: 2.091352535115087
Energy: 1.9001393832831144
Energy: 2.0601075333928693
Energy: 2.063776913971943
Energy: 2.091352535116582
Energy: 1.9001393832821176
Energy: 2.131063581996689
Energy: 2.1223105439732466
Energy: 2.0382261357472715
Energy: 2.1230702685021994
Energy: 2.1310635820076516
Energy: 2.1223105439867003
Energy: 2.0382261357457763
Energy: 2.064282783701238
Energy: 2.08954206472361
Energy: 2.145959180504203
Energy: 2.062032469038513
Energy: 2.0642827837107056
Energy: 2.0895420647186262
Energy: 2.1459591805285743
Energy: 2.2574907156097015
Energy: 2.1224816081692723
Energy: 2.0669711095871923
Energy: 2.1228725782938507
Energy: 2.2574907156032236
Energy: 2.1224816081777433
Energy: 2.0669711095812127
Energy: 2.0637417289224103
Energy: 1.9160058277580951
Energy: 2.013093681893215
Energy: 1.9159761259753254
Energy: 2.063741728922908
Energy: 1.9160058277491259
Energy: 2.0130936819021388
Energy: 2.2577387623009764
Energy: 2.1228921638749063
Energy: 2.032634621463167
Energy: 2.1224767332066836
Energy: 2.257738762308949
Energy: 2.1228921638853704
Energy: 2.032634621460177
Energy: 2.0749485300987307
Energy: 2.06201262604538
Energy: 2.1457800722180167
Energy: 2.089519587823484
Energy: 2.0749485301022186
Energy: 2.0620126260458784
Energy: 2.1457800722269855
Energy: 2.1309704826608242
Energy: 2.123035909739211
Energy: 1.8871955734289192
Energy: 2.1223026177925117
Energy: 2.1309704826687965
Energy: 2.1230359097142966
Energy: 1.8871955734229395
Energy: 2.0637383812032644
Energy: 2.0601133440124992
Energy: 1.9003580795907955
Energy: 2.094619646330057
Energy: 2.0637383811928456
Energy: 2.060113344017482
Energy: 1.9003580795748505
Energy: 2.086979260323029
Energy: 2.1229003167114318
Energy: 2.0638633228204832
Energy: 1.9440864838977887
Energy: 2.086979260324523
Energy: 2.122900316733855
Energy: 2.063863322813507
Energy: 2.0649968645968735
Energy: 2.089662443277857
Energy: 1.9005033873233284
Energy: 2.0886745596144447
Energy: 2.0649968645923886
Energy: 2.0896624432788538
Energy: 1.9005033873263182
Energy: 2.0869103630708707
Energy: 2.1245669898327626
Energy: 2.0648344221252812
Energy: 2.124457453290803
Energy: 2.086910363068379
Energy: 2.1245669898596704
Energy: 2.064834422128271
Energy: 2.0650142197511365
Energy: 2.088688655423013
Energy: 1.9003696098273526
Energy: 2.0895062442585637
Energy: 2.0650142197466517
Energy: 2.0886886554269544
Energy: 1.9003696098193799

minimum gb energy = 1.8871955734229395 eV
minimum distance =  2.24668898384242 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.1870581233104147
Energy: 2.0489147984165306
Energy: 2.191219953811592
Energy: 2.049296333104483
Energy: 2.1870581233049706
Energy: 2.048914798414716
Energy: 2.1912199538067534
Energy: 2.175103763089974
Energy: 2.0401844344820272
Energy: 1.8410336884737575
Energy: 2.040254186321132
Energy: 2.175103763097233
Energy: 2.0401844344892863
Energy: 1.8410336884743623
Energy: 2.187013395806269
Energy: 2.0074727696728014
Energy: 1.9418992941091313
Energy: 2.056974071592141
Energy: 2.187013395806874
Energy: 2.0074727696703816
Energy: 1.9418992941067115
Energy: 2.1841285979766476
Energy: 2.0518885878843665
Energy: 1.9541648080661504
Energy: 2.04030566995475
Energy: 2.184128597978462
Energy: 2.0518885878849717
Energy: 1.9541648080667553
Energy: 2.068770867681949
Energy: 1.954795064275536
Energy: 2.0486108647420056
Energy: 1.954154976053238
Energy: 2.068770867680134
Energy: 1.9547950642785605
Energy: 2.048610864743215
Energy: 2.184020799738815
Energy: 1.9604177244291696
Energy: 2.2058565298395765
Energy: 2.0412370963416557
Energy: 2.184020799737605
Energy: 1.9604177244231482
Energy: 2.2058565298401818
Energy: 2.1308592106182145
Energy: 1.9545921910020856
Energy: 2.0489914832382383
Energy: 2.088068313193715
Energy: 2.1308592106164
Energy: 1.9545921910014807
Energy: 2.048991483231612
Energy: 2.119445603071585
Energy: 2.0546820692239676
Energy: 2.205768694594349
Energy: 2.0412071932622515
Energy: 2.119445603072795
Energy: 2.054682069230622
Energy: 2.2057686945991883
Energy: 2.131830191104224
Energy: 2.040769436937219
Energy: 2.02705727605307
Energy: 2.078862328951448
Energy: 2.1318301911054336
Energy: 2.040769436936614
Energy: 2.027057276051255
Energy: 2.1305383699180633
Energy: 2.069082109858057
Energy: 1.9280219745241067
Energy: 2.0407943148567234
Energy: 2.130538369915038
Energy: 2.069082109860476
Energy: 1.9280219745283413
Energy: 2.2179170020566694
Energy: 2.0571122902303665
Energy: 2.1059757116415927
Energy: 2.0541968017515417
Energy: 2.21791700205425
Energy: 2.057112290221925
Energy: 2.1031035468201678
Energy: 1.9491971277826363
Energy: 2.067847565035357
Energy: 1.953951148599214
Energy: 1.9511760214672886
Energy: 1.9491971277832412
Energy: 2.0678475650371717
Energy: 1.9539511486022383
Energy: 2.210393646701192
Energy: 2.056042566601897
Energy: 2.1380235102302767
Energy: 2.0390850322398455
Energy: 2.2103936467096603
Energy: 2.0560425666025024
Energy: 2.1380235102302767
Energy: 1.949266298764245
Energy: 2.0685481796134417
Energy: 2.032010575294685
Energy: 1.951424106141633
Energy: 1.9492662987618252
Energy: 2.0685481796122325
Energy: 2.0320105752971043
Energy: 2.1811282716256613
Energy: 1.9794327275624148
Energy: 1.9540367732502388
Energy: 2.0399980221422815
Energy: 2.1811282716280807
Energy: 1.9794327275575756
Energy: 1.9540367732502388
Energy: 1.9500518882877664
Energy: 2.124988308707649
Energy: 2.0334350975665827
Energy: 2.062053703073179
Energy: 1.9500518882859517
Energy: 2.1249883087040193
Energy: 2.0334350975653726
Energy: 2.1813516158238375
Energy: 1.9794318763252023
Energy: 2.1573975384514408
Energy: 2.040180792190014
Energy: 2.1813516158286768
Energy: 1.979431876319758
Energy: 2.1573975384599096
Energy: 1.9500192544874457
Energy: 2.066515402671062
Energy: 2.0310767104168006
Energy: 2.2164729626788615
Energy: 1.950019254485026
Energy: 2.066515402671667
Energy: 2.031076710414381
Energy: 2.187065612317193
Energy: 1.9796251916549161
Energy: 2.1020573064690757
Energy: 2.040183496657768
Energy: 2.187065612312959
Energy: 1.9796251916537062
Energy: 2.102057306465446
Energy: 1.9498489495869957
Energy: 2.1579170704147685
Energy: 2.0094550964807434
Energy: 2.1577415024023394
Energy: 1.9498489495863909
Energy: 2.1579170704123487
Energy: 2.009455096478323
Energy: 2.1869416355007427
Energy: 2.0400761830138316
Energy: 2.1018496545826006
Energy: 1.9796762778192214
Energy: 2.1869416355025577
Energy: 2.040076183016857
Energy: 2.1018496545819962
Energy: 1.9500153245304646
Energy: 2.216684201713025
Energy: 2.0310767976816666
Energy: 2.0665230445199594
Energy: 1.9500153245359086
Energy: 2.2166842017142345
Energy: 2.0310767976840864
Energy: 2.1811905530504574
Energy: 2.0402145726796026
Energy: 2.1573706892540847
Energy: 1.9794519373584145
Energy: 2.1811905530510622
Energy: 2.040214572672344
Energy: 2.1573706892498503
Energy: 1.9499448093030733
Energy: 2.0621766301236053
Energy: 2.0333967536340856
Energy: 2.1253017194923567
Energy: 1.9499448093090948
Energy: 2.062176630118161
Energy: 2.033396753642527
Energy: 2.181138128560952
Energy: 2.040070045094849
Energy: 1.8495988642800587
Energy: 1.9794392197938262
Energy: 2.181138128554298
Energy: 2.040070045094849
Energy: 1.8495988642794539

minimum gb energy = 1.8410336884737575 eV
minimum distance =  2.28099291498702 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.9282425169618918
Energy: 2.0337240285574674
Energy: 1.9179773889936442
Energy: 2.034447104101743
Energy: 1.9282425169720196
Energy: 2.033724028554091
Energy: 1.9179773889902683
Energy: 2.1185441591227896
Energy: 2.0408061678738245
Energy: 1.8520561656058288
Energy: 1.9861348992090988
Energy: 2.1185441591092857
Energy: 2.0408061678738245
Energy: 1.8520561656159569
Energy: 1.9281065195758071
Energy: 1.8952582929857293
Energy: 1.9222301526566834
Energy: 1.9907610280425256
Energy: 1.9281065195555516
Energy: 1.8952582929789774
Energy: 1.9140037341402212
Energy: 1.87833493935097
Energy: 1.9872966905339429
Energy: 1.8599965557269107
Energy: 1.9873987352919948
Energy: 1.87833493937454
Energy: 1.9872966905170628
Energy: 1.8599965557167828
Energy: 1.902594166662741
Energy: 1.8836441953180385
Energy: 1.8882129073837368
Energy: 1.867821794497795
Energy: 1.9025941666593653
Energy: 1.8836441953382943
Energy: 1.8882129074006169
Energy: 1.8780800561594573
Energy: 1.866041634072381
Energy: 1.959892066620631
Energy: 1.9602057269281048
Energy: 1.8780800561527051
Energy: 1.866041634052125
Energy: 1.9598920666037511
Energy: 1.8833899132002354
Energy: 1.8838578533271462
Energy: 1.9355983749984447
Energy: 1.8899005288919861
Energy: 1.883389913213739
Energy: 1.8838578533237706
Energy: 1.935598374978189
Energy: 1.8922619722108929
Energy: 1.9328432770061124
Energy: 1.9021772833606945
Energy: 1.9307997205843546
Energy: 1.8922619721906984
Energy: 1.9328432769858563
Energy: 1.902177283333687
Energy: 1.883542838930765
Energy: 1.9042139394636852
Energy: 1.9929017745597921
Energy: 1.8760029427548726
Energy: 1.8835428389510207
Energy: 1.9042139394569333
Energy: 1.9929017745665438
Energy: 1.8770705587288221
Energy: 1.9331796478439163
Energy: 1.9581751614288032
Energy: 1.956869716245009
Energy: 1.8770705587592058
Energy: 1.9331796478439163
Energy: 1.9581751614152991
Energy: 1.883540600192576
Energy: 1.939075112263032
Energy: 1.943995432170063
Energy: 1.876222617275367
Energy: 1.883540600195952
Energy: 1.9390751122832879
Energy: 1.943995432183567
Energy: 1.8773202258735442
Energy: 1.9097697353235206
Energy: 1.9070823129750738
Energy: 1.93201526115489
Energy: 1.8773202258634165
Energy: 1.9097697353133927
Energy: 1.9070823130155854
Energy: 1.883904804334073
Energy: 1.8570636777491696
Energy: 1.944124600627938
Energy: 1.9106074380807354
Energy: 1.8839048043374491
Energy: 1.8570636777525453
Energy: 1.9441246006076824
Energy: 1.9329502068736983
Energy: 1.9798612720931048
Energy: 1.948124995246057
Energy: 1.9372224414904413
Energy: 1.9329502068669466
Energy: 1.9798612720998567
Energy: 1.9481249952426811
Energy: 1.8834764354016147
Energy: 1.9685510456034458
Energy: 1.9941729616728243
Energy: 1.9834105724804174
Energy: 1.8834764353914868
Energy: 1.9685510456034458
Energy: 1.994172961689704
Energy: 1.9333244945648167
Energy: 1.9101227544833586
Energy: 1.92791994755184
Energy: 1.910329209536265
Energy: 1.933324494578259
Energy: 1.9101227544597266
Energy: 1.927919947548464
Energy: 1.9227730027807266
Energy: 1.857420675624189
Energy: 2.041433308647543
Energy: 1.9105496780558517
Energy: 1.9227730027874783
Energy: 1.8574206756275653
Energy: 2.0414333086205354
Energy: 1.8765409796928483
Energy: 1.9093849300369616
Energy: 1.92911249958428
Energy: 1.8688618006378976
Energy: 1.8765409796860968
Energy: 1.909384930026834
Energy: 1.9291124995741522
Energy: 1.9226391138012517
Energy: 1.9080330845752116
Energy: 1.9222545142025924
Energy: 1.928019290066697
Energy: 1.92263911377762
Energy: 1.9080330845785873
Energy: 1.9222545141992162
Energy: 1.8743866588573836
Energy: 1.9072080896186703
Energy: 1.9444573855424099
Energy: 1.9068902987759373
Energy: 1.8743866588472557
Energy: 1.9072080896119183
Energy: 1.94445738552553
Energy: 1.9242457107281141
Energy: 1.9034483422343185
Energy: 1.8850604708194356
Energy: 1.8857641258845057
Energy: 1.9242457107517457
Energy: 1.9034483422309423
Energy: 1.8850604708093075
Energy: 1.874309753744511
Energy: 1.9051813055796598
Energy: 1.9654852504380234
Energy: 1.9068662900073732
Energy: 1.8743097537208795
Energy: 1.905181305586412
Energy: 1.9654852504582792
Energy: 1.9243150462401883
Energy: 1.9053975592335226
Energy: 2.0040616646393485
Energy: 1.9191405813224722
Energy: 1.9243150462165568
Energy: 1.9053975592436507
Energy: 2.0040616646697322
Energy: 1.878181707603492
Energy: 1.9382930365624933
Energy: 1.9537157014790496
Energy: 1.9069827481184916
Energy: 1.878181707606868
Energy: 1.9382930365861253
Energy: 1.9537157014824256
Energy: 1.924521996551708
Energy: 2.021121419989947
Energy: 1.9733252056508042
Energy: 2.0399711278180575
Energy: 1.9245219965685265
Energy: 2.021121419996699
Energy: 1.9733252056575559
Energy: 1.91434616901302
Energy: 1.9066273211737554
Energy: 2.040978741320848
Energy: 1.8544222490101248
Energy: 1.9143461690433419
Energy: 1.9066273211636275
Energy: 2.040978741317472
Energy: 2.196485090354986
Energy: 2.0208647376369826
Energy: 1.920629608131586
Energy: 2.0411933627705596
Energy: 2.1964850903583617
Energy: 2.0208647376369826
Energy: 1.92062960811133
Energy: 1.9141924778311992
Energy: 1.9373876968578023
Energy: 1.9974125418469342
Energy: 2.0011271029636046
Energy: 1.914192477837951
Energy: 1.9373876968476744
Energy: 1.9974125418604383
Energy: 2.1974848200581296
Energy: 2.02079566149569
Energy: 1.8713798710932048
Energy: 2.040774875831376
Energy: 2.197484820088452
Energy: 2.0207956614990663
Energy: 1.8713798710830771
Energy: 1.9139541515545806
Energy: 1.905709997478213
Energy: 2.019962180606725
Energy: 1.8533304522317093
Energy: 1.913954151574775
Energy: 1.9057099974377016
Energy: 2.0199621806236054
Energy: 1.9272129743962616
Energy: 2.0220421091947047
Energy: 1.9671581902039632
Energy: 2.0402619676790574
Energy: 1.9272129743726298
Energy: 2.0220421091812626
Energy: 1.9671581902309707
Energy: 1.9141490830598973
Energy: 1.8911372848534052
Energy: 1.9048269894919498
Energy: 1.849386517503446
Energy: 1.9141490830632732
Energy: 1.8911372848466532
Energy: 1.904826989495326
Energy: 1.9276722773179453
Energy: 1.9007875243368781
Energy: 1.966875813823391
Energy: 1.9079957877375309
Energy: 1.927672277297689
Energy: 1.9007875243604488
Energy: 1.9668758138267672
Energy: 1.9549283392349628
Energy: 1.8907756336658252
Energy: 1.984433707159177
Energy: 1.897977104464267
Energy: 1.9549283392552184
Energy: 1.890775633679329
Energy: 1.9844337071625529
Energy: 1.9551121625915828
Energy: 1.8941610381760876
Energy: 1.8791585645132987
Energy: 1.9067484418401202
Energy: 1.955112162598335
Energy: 1.8941610381794634
Energy: 1.8791585645166744
Energy: 1.9550549186861284
Energy: 1.9058058830625362
Energy: 1.9844296498192602
Energy: 1.9387139061502678
Energy: 1.9550549186793764
Energy: 1.9058058830456563
Energy: 1.984429649822636
Energy: 1.9548121360301423
Energy: 1.906394322912221
Energy: 1.878866936743488
Energy: 1.9187577767800437
Energy: 1.9548121360301423
Energy: 1.906394322915597
Energy: 1.8788669367738715
Energy: 1.9490493051155349
Energy: 1.89649560772206
Energy: 1.9502729636476381
Energy: 1.9397537758887038
Energy: 1.9490493051222866
Energy: 1.8964956077355641
Energy: 1.9502729636442622
Energy: 1.9551535003896052
Energy: 2.033637232198997
Energy: 1.9933985792686426
Energy: 1.9028361303396644
Energy: 1.9551535003929812
Energy: 2.0336372321888696
Energy: 1.9933985792450108
Energy: 1.9562866461681943
Energy: 1.968382028130013
Energy: 1.9577555123847563
Energy: 1.9020894820276903
Energy: 1.9562866462053297
Energy: 1.9683820281468927
Energy: 1.9577555123746284
Energy: 2.0889241922928243
Energy: 1.9033849514994627
Energy: 2.011344639091627
Energy: 1.9027410442036525
Energy: 2.088924192269192
Energy: 1.9033849514657035
Energy: 2.011344639091627
Energy: 1.956066339774305
Energy: 1.866792993469243
Energy: 1.9948016421213866
Energy: 1.8942545374460253
Energy: 1.956066339781057
Energy: 1.866792993475995
Energy: 1.9948016421281385
Energy: 1.9840504462227897
Energy: 1.9046850028297087
Energy: 1.9159373078701252
Energy: 1.9029531073980954
Energy: 1.9840504462531732
Energy: 1.9046850028229572
Energy: 1.915937307883629
Energy: 1.9506245418291914
Energy: 1.9316594368635898
Energy: 1.9619228123349726
Energy: 1.909803744136262
Energy: 1.9506245418494474
Energy: 1.9316594368298303
Energy: 1.9619228123315966
Energy: 1.872492542361028
Energy: 1.9072074487478061
Energy: 1.9154714801025134
Energy: 1.9130429169115688
Energy: 1.8724925423846592
Energy: 1.907207448754558
Energy: 1.9154714800788817

minimum gb energy = 1.849386517503446 eV
minimum distance =  2.24280429393299 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.8071125616783656
Energy: 1.5470717286845799
Energy: 1.8901240139377258
Energy: 1.547071728675446
Energy: 1.807112561686738
Energy: 1.547071728674685
Energy: 1.8901240139293531
Energy: 1.8071125616783656
Energy: 1.5470717286716404
Energy: 1.941754697037147
Energy: 1.5470717286815354
Energy: 1.8071125616829324
Energy: 1.5470717286731623
Energy: 2.25687700082879
Energy: 1.8071125616836936
Energy: 1.547071728670118
Energy: 1.869411466056823
Energy: 1.5470717286731623
Energy: 1.807112561679888
Energy: 1.5470717286815354
Energy: 1.6292155611190242
Energy: 1.8071125616783656
Energy: 1.5470717286845799
Energy: 1.9505201881730567
Energy: 1.547071728674685
Energy: 1.807112561686738
Energy: 1.5470717286724016
Energy: 1.8612847394545606
Energy: 1.8071125616776043
Energy: 1.5470717286716404
Energy: 2.2828567379698437
Energy: 1.5470717286815354
Energy: 1.8071125616821713
Energy: 1.5470717286716404
Energy: 1.8330232901178511
Energy: 1.8071125616821713
Energy: 1.5470717286685955
Energy: 1.885025533254575
Energy: 1.5470717286731623
Energy: 1.8071125616814099
Energy: 1.5470717286815354
Energy: 2.045673169919118
Energy: 1.8071125616844548
Energy: 1.5470717286838187
Energy: 2.227604424414796
Energy: 1.547071728674685
Energy: 1.8071125616874995
Energy: 1.5470717286739237
Energy: 2.227604424413274
Energy: 1.8071125616760824
Energy: 1.547071728670879
Energy: 1.593578200457333
Energy: 1.5470717286815354
Energy: 1.8071125616814099
Energy: 1.5470717286731623
Energy: 1.593578200694708
Energy: 1.8071125616836936
Energy: 1.547071728670879
Energy: 1.9600892801187544
Energy: 1.547071728674685
Energy: 1.807112561680649
Energy: 1.5470717286822961
Energy: 1.9843912831218733
Energy: 1.807112561685216
Energy: 1.5470717286838187
Energy: 1.9530829522022422
Energy: 1.5470717286739237
Energy: 1.8071125616874995
Energy: 1.5470717286724016
Energy: 1.9530829522022422
Energy: 1.807112561680649
Energy: 1.5470717286724016
Energy: 1.9521137118503495
Energy: 1.5470717286807742
Energy: 1.8071125616791266
Energy: 1.5470717286731623
Energy: 1.9521137118465437
Energy: 1.807112561685216
Energy: 1.5470717286685955
Energy: 1.8066391743998176
Energy: 1.5470717286731623
Energy: 1.8071125616776043
Energy: 1.5470717286815354
Energy: 1.8066391743998176
Energy: 1.8071125616829324
Energy: 1.5470717286838187
Energy: 1.8066391743998176
Energy: 1.547071728674685
Energy: 1.8071125616821713
Energy: 1.547071728674685
Energy: 1.8066391744005785
Energy: 1.807112561680649
Energy: 1.5470717286724016
Energy: 1.8066391744005785
Energy: 1.5470717286807742
Energy: 1.807112561685977
Energy: 1.5470717286739237
Energy: 1.8066391743998176
Energy: 1.8071125616836936
Energy: 1.547071728670879
Energy: 1.8066391744013397
Energy: 1.547071728675446
Energy: 1.8071125616783656
Energy: 1.5470717286815354
Energy: 1.8066391743998176
Energy: 1.8071125616844548
Energy: 1.5470717286845799
Energy: 1.8066391743982952
Energy: 1.5470717286724016
Energy: 1.807112561686738
Energy: 1.5470717286731623
Energy: 1.8066391743998176
Energy: 1.8071125616776043
Energy: 1.5470717286716404
Energy: 1.8066391743960115
Energy: 1.5470717286807742
Energy: 1.8071125616829324
Energy: 1.5470717286731623
Energy: 1.8066391743998176
Energy: 1.807112561686738
Energy: 1.5470717286678348
Energy: 1.8066391743998176
Energy: 1.547071728675446
Energy: 1.807112561680649
Energy: 1.5470717286815354
Energy: 1.8066391743982952
Energy: 1.807112561680649
Energy: 1.5470717286845799
Energy: 1.8066391743998176
Energy: 1.5470717286762072
Energy: 1.807112561685216
Energy: 1.5470717286739237
Energy: 1.8066391743998176
Energy: 1.8071125616821713
Energy: 1.5470717286724016
Energy: 1.8066391743982952
Energy: 1.5470717286815354
Energy: 1.8071125616814099
Energy: 1.5470717286739237
Energy: 1.8066391743998176

minimum gb energy = 1.5470717286678348 eV
minimum distance =  2.35068524815665 Angstroms
sigma value = 23