Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998893380165
cohesive_energy=4.280334740105136
mass=55.845
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: 0.01628585250880806
Energy: 0.1609213459611076
Energy: 0.01628585250880806
Energy: 0.1609213459611076
Energy: 0.016285852508442118
Energy: 0.1609213459611076
Energy: 0.01628585250880806
Energy: 0.01684929337649155
Energy: 0.6994746429740929
Energy: 0.016849293376903236
Energy: 0.6994746429740929
Energy: 0.016849293376903236
Energy: 0.699474642973727
Energy: 0.016849293376903236
Energy: 1.0956071561811236
Energy: 0.5803558266326247
Energy: 1.241902411317568
Energy: 0.5803558266334251
Energy: 0.016587841353901164
Energy: 0.5803558266334251
Energy: 0.016587841353901164
Energy: 0.016849293376903236
Energy: 0.699474642973727
Energy: 0.01684929337649155
Energy: 0.699474642973727
Energy: 0.016849293376903236
Energy: 0.699474642973727
Energy: 0.01684929337649155
Energy: 0.016285852508442118
Energy: 0.16092134596074165
Energy: 0.01628585250880806
Energy: 0.16092134596151927
Energy: 0.016285852508442118
Energy: 0.16092134596074165
Energy: 0.016285852508442118
Energy: 0.016849293376903236
Energy: 0.6994746429740929
Energy: 0.016849293376903236
Energy: 0.699474642973727
Energy: 0.016849293376903236
Energy: 0.6994746429740929
Energy: 0.016849293376903236

minimum gb energy = 0.016285852508442118 eV
minimum distance =  2.46534116744547 Angstroms
sigma value = 5


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

Energy: 1.0908858507401307
Energy: 1.0291296898877393
Energy: 1.0908858507401307
Energy: 1.0291296898892148
Energy: 1.0908858507396388
Energy: 1.029129689888723
Energy: 1.0908858507406225
Energy: 1.0341881966403061
Energy: 1.029586903563144
Energy: 1.0341881966393225
Energy: 1.0295869035621603
Energy: 1.0341881966403061
Energy: 1.0295869035621603
Energy: 1.0341881966388307
Energy: 0.9804151446011573
Energy: 0.9759163679674756
Energy: 0.9804151446006656
Energy: 0.9759163679689509
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Energy: 0.9759163679674756
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Energy: 0.94544569816152
Energy: 1.001239607428775
Energy: 0.9454456981610284
Energy: 1.0012396074297585
Energy: 0.94544569816152
Energy: 1.001239607428775
Energy: 0.9454456981605365
Energy: 0.9613627542796724
Energy: 0.9569508781679018
Energy: 0.9613627542796724
Energy: 0.9569508781683936
Energy: 0.9613627542801643
Energy: 0.9569508781679018
Energy: 0.9613627542801643
Energy: 0.9589408631922225
Energy: 1.0151316664921133
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Energy: 1.0151316664916215
Energy: 0.9589408631922225
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Energy: 0.9589408631917307
Energy: 1.064327937237599
Energy: 1.0345993032079126
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Energy: 1.0345993032079126
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Energy: 1.005701982418705
Energy: 0.9903365420739565
Energy: 1.0057019824182134
Energy: 0.9903365420744483
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Energy: 1.0057019824177216
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Energy: 0.982618285933014
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Energy: 0.9469930038489253
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Energy: 0.9469930038499088
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Energy: 0.9970528681642035
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Energy: 0.9370234377929283
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Energy: 0.9370234377909613
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Energy: 1.0324648717293592
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Energy: 1.0299243328680083
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Energy: 0.9840104835922708
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Energy: 1.019752339798003
Energy: 0.9408701539369052
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Energy: 0.9408701539378889
Energy: 1.0197523397975115
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Energy: 0.9795356405370149
Energy: 0.9452806837792296
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Energy: 0.9452806837777543
Energy: 0.9795356405375067
Energy: 1.0648812344827085
Energy: 1.0497360138800351
Energy: 1.0648812344817251
Energy: 1.0497360138820022
Energy: 1.0648812344827085
Energy: 1.0497360138795435
Energy: 1.064881234482217
Energy: 0.9979470862654672
Energy: 0.972057470242675
Energy: 0.997947086265959
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Energy: 0.9578778872546759
Energy: 1.0248385246033778
Energy: 0.9578778872536924
Energy: 1.024838524602394
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Energy: 1.0248385246038694
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Energy: 0.9382260362409421
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Energy: 0.9382260362399586
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Energy: 0.9100798609466344
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Energy: 0.9100798609486016
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Energy: 1.0009412582219206
Energy: 0.9906784414011542
Energy: 1.0009412582229043
Energy: 0.9906784414016458
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Energy: 1.0367235778441029
Energy: 1.0346505404676252
Energy: 1.0367235778450863
Energy: 1.0346505404686086
Energy: 1.0367235778445947
Energy: 1.0346505404671333
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Energy: 1.0549588443069229
Energy: 1.0737404285877592
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Energy: 1.0737404285887426
Energy: 1.0549588443069229
Energy: 1.0737404285882508
Energy: 0.949493273455
Energy: 0.9618752587751025
Energy: 0.949493273453033
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Energy: 0.949493273455
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Energy: 0.9494932734525412
Energy: 1.0462027719563864
Energy: 1.01658472181801
Energy: 1.046202771956878
Energy: 1.016584721819977
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Energy: 1.01658472181801
Energy: 1.0462027719563864
Energy: 0.9860373862570452
Energy: 0.9487087057220766
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Energy: 0.9487087057240436
Energy: 0.9860373862575371
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Energy: 1.1126964356013376
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Energy: 1.112696435600354
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Energy: 1.1126964355998623
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Energy: 1.0164498898842393
Energy: 1.022863257083465
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Energy: 1.0228632570844487
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Energy: 0.9817797427659095
Energy: 1.0106972596515407
Energy: 0.981779742766893
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Energy: 0.9411542152558346
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Energy: 0.9462552311175155
Energy: 0.9411542152563265
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Energy: 0.9486475225094161
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Energy: 0.9486475225089243
Energy: 0.9547396685712417
Energy: 0.9486475225084325
Energy: 0.9584268177191836
Energy: 0.9582230506923226
Energy: 0.9584268177177083
Energy: 0.9582230506903554
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Energy: 1.0393628862196524
Energy: 1.0547035920807333
Energy: 1.0393628862191608
Energy: 1.0547035920822085
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Energy: 1.0547035920807333
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Energy: 1.013660858402747
Energy: 1.0723700123002122
Energy: 1.0136608584052058
Energy: 1.0723700123011959
Energy: 1.0136608584042222
Energy: 1.0723700123002122
Energy: 0.9682584830931853
Energy: 0.9848935223436279
Energy: 0.9682584830946607
Energy: 0.9848935223431363
Energy: 0.9682584830926936
Energy: 0.9848935223451032
Energy: 0.9682584830936771
Energy: 1.0480626576623255
Energy: 0.990023239976412
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Energy: 0.9900232399769038
Energy: 1.048062657661834
Energy: 0.9900232399769038
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Energy: 0.9747365230023487
Energy: 0.9162075488781575
Energy: 0.9747365230008734
Energy: 0.9162075488771739
Energy: 0.9747365230023487
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Energy: 0.9747365230008734
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Energy: 1.0752905790954803
Energy: 1.0202508623075937
Energy: 1.0752905790920377
Energy: 1.0202508623085773
Energy: 1.075290579093513
Energy: 1.044918138021259
Energy: 0.9402444803674227
Energy: 1.0449181380227344
Energy: 0.9402444803684062
Energy: 1.044918138021259
Energy: 0.9402444803674227
Energy: 1.0449181380222425
Energy: 0.9675864512754995
Energy: 1.0070098678526274
Energy: 0.9675864512764831
Energy: 1.0070098678531192
Energy: 0.9675864512754995
Energy: 1.0070098678531192
Energy: 0.9675864512764831
Energy: 0.9716707010869836
Energy: 0.9728297087746696
Energy: 0.9716707010855083
Energy: 0.9728297087741778
Energy: 0.9716707010874752
Energy: 0.9728297087751614
Energy: 0.971670701086
Energy: 0.9453456554632512
Energy: 1.0134459297225715
Energy: 0.9453456554637432
Energy: 1.0134459297230634
Energy: 0.9453456554632512
Energy: 1.0134459297225715
Energy: 0.9453456554637432
Energy: 0.9452133406083553
Energy: 0.928201443176462
Energy: 0.9452133406083553
Energy: 0.9282014431759701
Energy: 0.9452133406083553
Energy: 0.928201443176462
Energy: 0.9452133406088471
Energy: 0.9697933556629458
Energy: 0.9836396372731133
Energy: 0.9697933556629458
Energy: 0.9836396372726216
Energy: 0.9697933556629458
Energy: 0.9836396372726216
Energy: 0.9697933556624538

minimum gb energy = 0.9100798609466344 eV
minimum distance =  2.32258180755523 Angstroms
sigma value = 401


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

Energy: 1.1504510436459763
Energy: 1.076800557432125
Energy: 1.0927973211196087
Energy: 1.0768005574338
Energy: 1.1504510436459763
Energy: 1.0768005574349164
Energy: 1.0927973211201671
Energy: 1.048995183113278
Energy: 1.0663352700188549
Energy: 1.021998551845248
Energy: 1.0127522324872502
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Energy: 1.068061070981327
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Energy: 1.0405211866905617
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Energy: 1.0663352700177384
Energy: 1.0219985518446897
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Energy: 0.9997527618190002
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Energy: 1.0603562030157685
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Energy: 1.0287731829865632
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Energy: 1.0287731829871212
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Energy: 0.9816628572125469
Energy: 1.0772627528058645
Energy: 0.9816628572019408
Energy: 1.0772018929776406
Energy: 0.9816628572008244
Energy: 1.0772627528058645
Energy: 0.9816628572041736
Energy: 1.0405211866872632
Energy: 1.0688365011648056
Energy: 1.0405211866889377
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Energy: 1.0405211866900033
Energy: 1.0688365011636891
Energy: 1.0405211866905617
Energy: 1.0690444264970103
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Energy: 1.0516333262928312
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Energy: 1.051633326292273
Energy: 1.0690444264964518
Energy: 1.0530912164579076
Energy: 1.0708389629291732
Energy: 1.0530927207479621
Energy: 1.070575526275661
Energy: 1.0530912164573496
Energy: 1.0708389629280566
Energy: 1.0530927207474037
Energy: 1.0447732737578506
Energy: 1.0507681880169402
Energy: 1.0450923256865625
Energy: 1.0507130951411154
Energy: 1.044773273756176
Energy: 1.050768188015824
Energy: 1.045092325687679
Energy: 1.033571864816572
Energy: 1.0753110273939963
Energy: 1.033616749149329
Energy: 1.0753110273951128
Energy: 1.033571864816572
Energy: 1.0753110273945543
Energy: 1.033616749149329
Energy: 1.0191377214003288
Energy: 1.0859739415007972
Energy: 1.0189998952145196
Energy: 1.0859739415030298
Energy: 1.0191377214003288
Energy: 1.0859739415019136
Energy: 1.0189998951994477
Energy: 1.0578051633414685
Energy: 1.0051027932188683
Energy: 1.0578051633414685
Energy: 1.0051027932199847
Energy: 1.0578051633414685
Energy: 1.0051027932183103
Energy: 1.0578051633414685
Energy: 1.0217903852399894
Energy: 1.0052506667895877
Energy: 1.0217903852399894
Energy: 1.0052506667884713
Energy: 1.0217903852411059
Energy: 1.0052506667912624
Energy: 1.0217903852399894
Energy: 1.0927973211174267
Energy: 1.076800557432125
Energy: 1.0927973211191013
Energy: 1.076800557434358
Energy: 1.0927973211174267
Energy: 1.0768005574349164
Energy: 1.0927973211191013
Energy: 1.021998551843015
Energy: 1.0024642542966047
Energy: 1.0219985518441315
Energy: 1.0034330576278603
Energy: 1.0219985518446897
Energy: 1.0024642542971631
Energy: 1.0219985518441315

minimum gb energy = 0.9721239903393104 eV
minimum distance =  2.33994127971708 Angstroms
sigma value = 311


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

Energy: 1.0895611548433615
Energy: 1.0681870104316749
Energy: 1.0895611548433615
Energy: 1.068187010432964
Energy: 1.0895611548433615
Energy: 1.068187010432964
Energy: 1.0895611548433615
Energy: 0.9996270824760289
Energy: 0.9439948063454251
Energy: 0.9996270824766735
Energy: 0.9439948063447805
Energy: 0.9996270824760289
Energy: 0.9439948063460697
Energy: 0.9996270824760289
Energy: 0.9135745616613611
Energy: 0.92358507933499
Energy: 0.9135745616613611
Energy: 0.9235850793343454
Energy: 0.9135745616613611
Energy: 0.92358507933499
Energy: 0.9135745616620053
Energy: 1.0279101262796113
Energy: 1.0170249148694002
Energy: 1.0279101262796113
Energy: 1.0170249148694002
Energy: 1.027910126280256
Energy: 1.0170249148694002
Energy: 1.0279101262796113
Energy: 1.0294288441619277
Energy: 1.0552712131932585
Energy: 1.0294288441619277
Energy: 1.0552712131932585
Energy: 1.0294288441619277
Energy: 1.0552712131932585
Energy: 1.0294288441619277
Energy: 0.9078288736187052
Energy: 1.0035193318537725
Energy: 0.9078288736180606
Energy: 1.003519331854417
Energy: 0.9078288736187052
Energy: 1.003519331854417
Energy: 0.9078288736187052
Energy: 0.9118304169161747
Energy: 1.0140105626477707
Energy: 0.9118304169155301
Energy: 1.0140105626477707
Energy: 0.9118304169161747
Energy: 1.014010562647126
Energy: 0.9118304169155301
Energy: 1.054993059760342
Energy: 1.0670846445550297
Energy: 1.054993059760342
Energy: 1.067084644555674
Energy: 1.054993059760342
Energy: 1.0670846445550297
Energy: 1.0549930597609867
Energy: 1.0323869959359617
Energy: 1.0724157409177302
Energy: 1.0323869959366063
Energy: 1.0724157409177302
Energy: 1.0323869959359617
Energy: 1.0724157409177302
Energy: 1.0323869959366063
Energy: 0.9124866721634003
Energy: 1.029985978740567
Energy: 0.9124866721614957
Energy: 1.0299859787399221
Energy: 0.9124866721627556
Energy: 1.0299859787399221
Energy: 0.9124866721621403
Energy: 0.9098852657792443
Energy: 1.0555479268196521
Energy: 0.9098852657798888
Energy: 1.0555479268196521
Energy: 0.9098852657792443
Energy: 1.0555479268196521
Energy: 0.9098852657798888
Energy: 1.0739477293953235
Energy: 1.028291525572159
Energy: 1.0739477293953235
Energy: 1.0282915255728036
Energy: 1.0739477293953235
Energy: 1.0282915255715144
Energy: 1.0739477293953235
Energy: 1.0136905542274435
Energy: 1.0273616665991656
Energy: 1.0136905542267989
Energy: 1.02736166659981
Energy: 1.0136905542274435
Energy: 1.0273616666010696
Energy: 1.013690554226154
Energy: 0.9192635204115406
Energy: 0.9332864018746279
Energy: 0.9192635204115406
Energy: 0.9332864018739833
Energy: 0.9192635204121852
Energy: 0.9332864018739833
Energy: 0.9192635204121852
Energy: 1.0039345259927763
Energy: 1.0218387348548224
Energy: 1.0039345259927763
Energy: 1.021838734855467
Energy: 1.0039345259927763
Energy: 1.0218387348548224
Energy: 1.0039345259921317
Energy: 1.0974407948900933
Energy: 1.0537926297294922
Energy: 1.097440794889449
Energy: 1.0537926297294922
Energy: 1.0974407948900933
Energy: 1.0537926297294922
Energy: 1.097440794889449
Energy: 1.0061324476641251
Energy: 0.9680593743718645
Energy: 1.0061324476641251
Energy: 0.9680593743718645
Energy: 1.0061324476647695
Energy: 0.9680593743712198
Energy: 1.0061324476641251
Energy: 0.9114448080702457
Energy: 0.9127661500613556
Energy: 0.9114448080708905
Energy: 0.9127661500607405
Energy: 0.9114448080696014
Energy: 0.9127661500620002
Energy: 0.9114448080708905
Energy: 1.0710638606637004
Energy: 1.0183310463736832
Energy: 1.0710638606624112
Energy: 1.0183310463736832
Energy: 1.0710638606637004
Energy: 1.0183310463736832
Energy: 1.0710638606624112
Energy: 1.0321944955761382
Energy: 1.0175134455767427
Energy: 1.0321944955761382
Energy: 1.0175134455773873
Energy: 1.0321944955761382
Energy: 1.0175134455767427
Energy: 1.0321944955761382
Energy: 0.9118063509032985
Energy: 0.9102369210811994
Energy: 0.9118063509032985
Energy: 0.9102369210811994
Energy: 0.9118063509026538
Energy: 0.9102369210811994
Energy: 0.9118063509020095
Energy: 0.917293503009146
Energy: 1.0579294402620572
Energy: 0.917293503009146
Energy: 1.0579294402614126
Energy: 0.917293503009146
Energy: 1.0579294402620572
Energy: 0.917293503009146
Energy: 1.0835834864167406
Energy: 1.047042138013945
Energy: 1.0835834864173852
Energy: 1.047042138013945
Energy: 1.0835834864167406
Energy: 1.047042138013945
Energy: 1.0835834864173852
Energy: 1.039425268934445
Energy: 1.0338293194318122
Energy: 1.0394252689338006
Energy: 1.0338293194311676
Energy: 1.039425268934445
Energy: 1.0338293194318122
Energy: 1.0394252689338006
Energy: 0.9297949877558681
Energy: 0.9375519710212721
Energy: 0.9297949877558681
Energy: 0.9375519710212721
Energy: 0.9297949877558681
Energy: 0.9375519710212721
Energy: 0.9297949877558681
Energy: 1.0002650256084282
Energy: 1.0710503132700047
Energy: 1.0002650256077836
Energy: 1.0710503132700047
Energy: 1.0002650256084282
Energy: 1.0710503132700047
Energy: 1.0002650256084282
Energy: 1.0519937187785757
Energy: 1.0278527924978282
Energy: 1.0519937187779311
Energy: 1.0278527924984728
Energy: 1.0519937187785757
Energy: 1.0278527924978282
Energy: 1.0519937187779311
Energy: 1.0174753468655553
Energy: 1.0711878556810484
Energy: 1.0174753468649107
Energy: 1.0711878556797592
Energy: 1.0174753468649107
Energy: 1.0711878556810484
Energy: 1.0174753468649107
Energy: 0.9297714698514068
Energy: 0.9375438365141963
Energy: 0.929771469852696
Energy: 0.9375438365135517
Energy: 0.9297714698514068
Energy: 0.9375438365141963
Energy: 0.9297714698520514
Energy: 1.0395714938758958
Energy: 1.0344231159585848
Energy: 1.0395714938778295
Energy: 1.0344231159592296
Energy: 1.0395714938765404
Energy: 1.0344231159585848
Energy: 1.0395714938765404
Energy: 1.074764357732083
Energy: 1.0471171844557436
Energy: 1.0747643577314383
Energy: 1.047117184455099
Energy: 1.074764357732083
Energy: 1.0471171844557436
Energy: 1.0747643577314383
Energy: 0.9175081548350549
Energy: 1.0577608231238027
Energy: 0.9175081548344104
Energy: 1.0577608231238027
Energy: 0.9175081548350549
Energy: 1.0577608231238027
Energy: 0.9175081548356995
Energy: 0.9118627161357011
Energy: 0.9104264285686994
Energy: 0.9118627161357011
Energy: 0.910426428569344
Energy: 0.9118627161357011
Energy: 0.9104264285686994
Energy: 0.9118627161363456
Energy: 1.0322942552981185
Energy: 1.0287069758900704
Energy: 1.0322942552981185
Energy: 1.028706975889426
Energy: 1.0322942552981185
Energy: 1.0287069758900704
Energy: 1.0322942552981185
Energy: 1.0506875448596869
Energy: 1.018311243292044
Energy: 1.0506875448590423
Energy: 1.0183112432926884
Energy: 1.0506875448596869
Energy: 1.018311243292044
Energy: 1.0506875448596869
Energy: 0.9116611193658773
Energy: 0.9114725067097253
Energy: 0.9116611193665216
Energy: 0.91147250671037
Energy: 0.9116611193665216
Energy: 0.9114725067097253
Energy: 0.9116611193665216

minimum gb energy = 0.9078288736180606 eV
minimum distance =  2.3656860938168 Angstroms
sigma value = 39


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

Energy: 1.030638148394743
Energy: 1.0470379727226207
Energy: 1.030638148396265
Energy: 1.0470379727226207
Energy: 1.0306381483939826
Energy: 1.0470379727226207
Energy: 1.030638148395504
Energy: 1.0662893337901755
Energy: 0.8903294873386314
Energy: 1.0662893337901755
Energy: 0.8903294873371098
Energy: 1.0662893337894148
Energy: 0.8903294873371098
Energy: 1.0662893337886539
Energy: 0.9363091751341788
Energy: 0.9809015113277225
Energy: 0.936309175133418
Energy: 0.980901511328483
Energy: 0.9363091751349396
Energy: 0.9809015113277225
Energy: 0.9363091751341788
Energy: 1.1076982655940435
Energy: 0.9110223692482379
Energy: 1.1076982655940435
Energy: 0.9110223692489984
Energy: 1.1076982655940435
Energy: 0.9110223692489984
Energy: 1.1076982655940435
Energy: 0.9637432033636976
Energy: 0.8814078802049246
Energy: 0.9637432033644583
Energy: 0.8814078802041637
Energy: 0.9637432033636976
Energy: 0.8814078802049246
Energy: 0.9637432033629368
Energy: 0.9650796927064872
Energy: 0.9560798061608662
Energy: 0.9650796927034443
Energy: 0.9560798061623874
Energy: 0.9650796927034443
Energy: 0.9560798061616267
Energy: 0.9650796927072479
Energy: 1.0787041431492308
Energy: 0.9726451598596458
Energy: 1.0647295642573662
Energy: 0.9726451598588851
Energy: 1.0647295642581271
Energy: 0.9726451598588851
Energy: 1.0647295642573662
Energy: 1.0226898791509065
Energy: 0.9474790997923911
Energy: 1.0226898791509065
Energy: 0.9474790997863053
Energy: 1.0226898791516674
Energy: 0.9474790997908696
Energy: 1.0226898791516674
Energy: 1.0921023896700592
Energy: 0.9622624400601008
Energy: 1.0921023896700592
Energy: 0.9622624400616223
Energy: 1.0921023896708202
Energy: 0.9622624400616223
Energy: 1.0921023896700592
Energy: 0.9539574471092479
Energy: 1.0423781298531067
Energy: 0.9539574471100086
Energy: 1.0423781298531067
Energy: 0.9539574471092479
Energy: 1.042378129852346
Energy: 0.9539574471092479
Energy: 1.0649905738392687
Energy: 1.0092744825835689
Energy: 1.064990573838508
Energy: 1.0092744825843298
Energy: 1.064990573838508
Energy: 1.0092744825835689
Energy: 1.0649905738400294
Energy: 0.9361644652919697
Energy: 0.9115750508793841
Energy: 0.9361644652919697
Energy: 0.9115750508786236
Energy: 0.9361644652912091
Energy: 0.9115750508771019
Energy: 0.9361644652904484
Energy: 0.9681681292735597
Energy: 0.9113236376708793
Energy: 0.9681681292743204
Energy: 0.9113236376708793
Energy: 0.9681681292750812
Energy: 0.9113236376708793
Energy: 0.9681681292743204
Energy: 0.9537416876799859
Energy: 0.8911528028630766
Energy: 0.9537416876799859
Energy: 0.8911528028638374
Energy: 0.9537416876807466
Energy: 0.8911528028630766
Energy: 0.9537416876815074
Energy: 1.0616138940840214
Energy: 0.9635280792665566
Energy: 1.0616138940832607
Energy: 0.9635280792673173
Energy: 1.0616138940832607
Energy: 0.9635280792665566
Energy: 1.0616138940832607
Energy: 0.9539217920639577
Energy: 0.958646842523394
Energy: 0.9539217920639577
Energy: 0.958646842523394
Energy: 0.9539217920639577
Energy: 0.9586468425226332
Energy: 0.9539217920639577
Energy: 1.0707026194235507
Energy: 0.9656158188480443
Energy: 1.0707026194227898
Energy: 0.9656158188472835
Energy: 1.070702619422029
Energy: 0.9656158188480443
Energy: 1.0707026194235507
Energy: 1.022542984237774
Energy: 0.9822900204092232
Energy: 1.022542984237774
Energy: 0.9822900204099838
Energy: 1.022542984237774
Energy: 0.9822900204099838
Energy: 1.0225429842385345
Energy: 1.0648761157920499
Energy: 1.020261910071002
Energy: 1.0648761157912892
Energy: 1.0202619100565482
Energy: 1.0648761157920499
Energy: 1.0202619100983878
Energy: 1.0648761157920499
Energy: 0.954034650079169
Energy: 1.0352479637681389
Energy: 0.954034650079169
Energy: 1.0352479637688994
Energy: 0.954034650079169
Energy: 1.0352479637681389
Energy: 0.954034650079169
Energy: 1.0543987759517846
Energy: 0.8911812652883315
Energy: 1.0543987759517846
Energy: 0.8911812652883315
Energy: 1.0543987759517846
Energy: 0.8911812652890924
Energy: 1.0543987759517846
Energy: 0.9361348479364634
Energy: 0.9111978236662835
Energy: 0.9361348479364634
Energy: 0.9111978236662835
Energy: 0.9361348479364634
Energy: 0.9111978236670444
Energy: 0.9361348479364634
Energy: 1.1328912429542275
Energy: 0.8913482604078982
Energy: 1.1328912429549884
Energy: 0.8913482604071377
Energy: 1.1328912429542275
Energy: 0.8913482604078982
Energy: 1.1328912429542275
Energy: 1.0560481766877272
Energy: 0.8836903254257359
Energy: 1.0560481766877272
Energy: 0.8836903254264966
Energy: 1.0560481766877272
Energy: 0.8836903254264966
Energy: 1.0560481766877272
Energy: 1.0389538905961975
Energy: 0.9460196033455975
Energy: 1.0389538906015225
Energy: 0.9460196033455975
Energy: 1.038953890617463
Energy: 0.9460196033455975
Energy: 1.038953890594676
Energy: 1.0675329220006775
Energy: 0.9653463102847876
Energy: 1.0675329220006775
Energy: 0.9653463102847876
Energy: 1.0675329220006775
Energy: 0.9653463102847876
Energy: 1.067532921999917
Energy: 1.0615823041443029
Energy: 1.0240688149295005
Energy: 1.0615823041443029
Energy: 1.02406881492874
Energy: 1.0615823041443029
Energy: 1.0240688149295005
Energy: 1.0615823041443029
Energy: 1.0665720033299941
Energy: 0.9594692258665645
Energy: 1.0665720033307549
Energy: 0.9594692258658037
Energy: 1.0665720033307549
Energy: 0.9594692258665645
Energy: 1.0665720033299941
Energy: 1.0306381483939826
Energy: 1.04703797272186
Energy: 1.030638148395504
Energy: 1.0470379727226207
Energy: 1.0306381483939826
Energy: 1.04703797272186
Energy: 1.030638148395504
Energy: 1.0662893337894148
Energy: 0.8903294873386314
Energy: 1.0662893337901755
Energy: 0.8903294873378705
Energy: 1.0662893337901755
Energy: 0.8903294873378705
Energy: 1.0662893337886539

minimum gb energy = 0.8814078802041637 eV
minimum distance =  2.31573981777012 Angstroms
sigma value = 21


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

Energy: 0.9407526242273604
Energy: 0.9608422896658073
Energy: 0.9407526242255133
Energy: 0.9608422896658073
Energy: 0.940752624226437
Energy: 0.9608422896658073
Energy: 0.940752624226437
Energy: 0.9034766685641846
Energy: 0.8700274606982723
Energy: 0.9034766685641846
Energy: 0.8700274606991957
Energy: 0.9034766685641846
Energy: 0.8700274606991957
Energy: 0.9034766685641846
Energy: 0.8689386005438842
Energy: 0.7975482312278837
Energy: 0.8689386005438842
Energy: 0.7975482312288071
Energy: 0.8689386005438842
Energy: 0.7975482312288071
Energy: 0.8689386005438842
Energy: 0.8524826433324517
Energy: 0.8680016641065447
Energy: 0.8524826433324517
Energy: 0.8680016641065447
Energy: 0.8524826433324517
Energy: 0.8680016641056212
Energy: 0.8524826433315282
Energy: 0.8076059730906279
Energy: 0.8180477304798087
Energy: 0.8076059730897044
Energy: 0.8180477304798087
Energy: 0.8076059730897044
Energy: 0.8180477304798087
Energy: 0.8076059730897044
Energy: 0.8311147477633948
Energy: 0.8722778159668663
Energy: 0.8311147477633948
Energy: 0.8722778159668663
Energy: 0.8311147477633948
Energy: 0.8722778159668663
Energy: 0.8311147477633948
Energy: 0.7858703728637191
Energy: 1.0318783308766317
Energy: 0.7858703728637191
Energy: 1.0318783308775552
Energy: 0.7858703728637191
Energy: 1.0318783308766317
Energy: 0.7858703728637191
Energy: 0.7842646527247469
Energy: 0.8850300149714969
Energy: 0.7842646527247469
Energy: 0.8850300149705733
Energy: 0.7842646527247469
Energy: 0.8850300149714969
Energy: 0.7842646527247469
Energy: 0.8515154118610323
Energy: 0.825825735664442
Energy: 0.8515154118601088
Energy: 0.8258257356653655
Energy: 0.8515154118610323
Energy: 0.8258257356653655
Energy: 0.8515154118601088
Energy: 0.8493835257302663
Energy: 1.0322160095588306
Energy: 0.8493835257302663
Energy: 1.032216009561601
Energy: 0.8493835257302663
Energy: 1.0322160095588306
Energy: 0.849383525729343
Energy: 0.7865571793923571
Energy: 0.8814542605469009
Energy: 0.7865571793923571
Energy: 0.8814542605478244
Energy: 0.7865571793932807
Energy: 0.8814542605469009
Energy: 0.7865571793932807
Energy: 0.7843382328836751
Energy: 0.8692563787234978
Energy: 0.7843382328836751
Energy: 0.8692563787234978
Energy: 0.7843382328836751
Energy: 0.8692563787234978
Energy: 0.7843382328836751
Energy: 0.8819087556990708
Energy: 0.8256491857651282
Energy: 0.8819087556990708
Energy: 0.8256491857651282
Energy: 0.8819087556981472
Energy: 0.8256491857651282
Energy: 0.8819087556981472
Energy: 0.8085036337433736
Energy: 1.2528569272316872
Energy: 0.8085036337433736
Energy: 1.2528569272316872
Energy: 0.8085036337433736
Energy: 1.2528569272316872
Energy: 0.8085036337433736
Energy: 0.8974283769303325
Energy: 0.8770726579925274
Energy: 0.8974283769294091
Energy: 0.877072657991604
Energy: 0.8974283769303325
Energy: 0.877072657991604
Energy: 0.8974283769303325
Energy: 0.8856663604366842
Energy: 0.8629853287746703
Energy: 0.8856663604376077
Energy: 0.8629853287746703
Energy: 0.8856663604366842
Energy: 0.8629853287746703
Energy: 0.8856663604376077
Energy: 0.9269703418849239
Energy: 0.8623065420545937
Energy: 0.9269703418849239
Energy: 0.8623065420545937
Energy: 0.9269703418849239
Energy: 0.8623065420545937
Energy: 0.9269703418849239
Energy: 0.8884981989836335
Energy: 1.2527124094167785
Energy: 0.8884981989836335
Energy: 1.2527124094167785
Energy: 0.8884981989836335
Energy: 1.2527124094167785
Energy: 0.8884981989836335
Energy: 0.8085928374582526
Energy: 0.8769357777805316
Energy: 0.8085928374582526
Energy: 0.8769357777805316
Energy: 0.8085928374582526
Energy: 0.8769357777805316
Energy: 0.8085928374582526
Energy: 0.7840125194257463
Energy: 0.8176418596712329
Energy: 0.7840125194266699
Energy: 0.8176418596712329
Energy: 0.7840125194257463
Energy: 0.8176418596712329
Energy: 0.7840125194266699
Energy: 0.8447162667163715
Energy: 0.9089963642346727
Energy: 0.8447162667163715
Energy: 0.908996364235596
Energy: 0.8447162667163715
Energy: 0.908996364235596
Energy: 0.8447162667163715
Energy: 0.7870138682303717
Energy: 0.9610846280414257
Energy: 0.7870138682303717
Energy: 0.9610846280414257
Energy: 0.7870138682303717
Energy: 0.9610846280414257
Energy: 0.7870138682303717
Energy: 0.8022963218270253
Energy: 0.8821674853148997
Energy: 0.8022963218270253
Energy: 0.8821674853148997
Energy: 0.8022963218270253
Energy: 0.8821674853148997
Energy: 0.8022963218270253
Energy: 0.8339925259130777
Energy: 0.8180699509876486
Energy: 0.8339925259130777
Energy: 0.8180699509867252
Energy: 0.8339925259121542
Energy: 0.8180699509876486
Energy: 0.8339925259121542
Energy: 0.8416881849193132
Energy: 0.8842187682114759
Energy: 0.8416881849202368
Energy: 0.8842187682123996
Energy: 0.8416881849193132
Energy: 0.8842187682114759
Energy: 0.8416881849202368

minimum gb energy = 0.7840125194257463 eV
minimum distance =  2.34001472212641 Angstroms
sigma value = 113


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

Energy: 0.8209180430939615
Energy: 1.0383039810109296
Energy: 0.8209180430944768
Energy: 1.0383039810104142
Energy: 0.8209180430939615
Energy: 1.0383039810109296
Energy: 0.8209180430944768
Energy: 0.8365914091064725
Energy: 0.782838394890948
Energy: 0.8365914091080185
Energy: 0.7828383948924942
Energy: 0.8365914091064725
Energy: 0.7828383948904326
Energy: 0.8365914091080185
Energy: 0.855787242883668
Energy: 0.7765164383584741
Energy: 0.8557872428826373
Energy: 0.7765164383584741
Energy: 0.855787242883668
Energy: 0.7765164383595048
Energy: 0.8557872428826373
Energy: 0.769864777916127
Energy: 0.770492393279413
Energy: 0.769864777916127
Energy: 0.770492393279413
Energy: 0.769864777916127
Energy: 0.770492393279413
Energy: 0.769864777916127
Energy: 0.7533746516503536
Energy: 0.9635862377120965
Energy: 0.7533746516503536
Energy: 0.9635862377120965
Energy: 0.7533746516508689
Energy: 0.9635862377120965
Energy: 0.7533746516498382
Energy: 0.8048111951328023
Energy: 0.7729155649960958
Energy: 0.804811195132287
Energy: 0.7729155649960958
Energy: 0.8048111951333179
Energy: 0.7729155649955803
Energy: 0.8048111951317717
Energy: 0.7665219277865022
Energy: 0.7131075059373106
Energy: 0.7665219277870176
Energy: 0.7131075059367953
Energy: 0.7665219277870176
Energy: 0.7131075059373106
Energy: 0.7665219277870176
Energy: 0.7925844774959393
Energy: 0.714213437115127
Energy: 0.7925844774974854
Energy: 0.7142134371146116
Energy: 0.7925844774964547
Energy: 0.714213437115127
Energy: 0.7925844774974854
Energy: 0.745196043961175
Energy: 0.9085924448816199
Energy: 0.7451960439616904
Energy: 0.9085924448811046
Energy: 0.745196043961175
Energy: 0.9085924448805893
Energy: 0.7451960439627212
Energy: 0.8340280295151786
Energy: 0.7313235335430809
Energy: 0.8340280295141479
Energy: 0.7313235335435962
Energy: 0.8340280295151786
Energy: 0.7313235335425655
Energy: 0.8340280295141479
Energy: 0.7290364443863893
Energy: 0.6974176030729148
Energy: 0.7290364443879355
Energy: 0.6974176030718842
Energy: 0.7290364443863893
Energy: 0.6974176030723994
Energy: 0.7290364443863893
Energy: 0.7480919733545693
Energy: 0.7882538252737449
Energy: 0.7480919733545693
Energy: 0.7882538252747757
Energy: 0.748091973354054
Energy: 0.7882538252742602
Energy: 0.7480919733545693
Energy: 0.7032248810891938
Energy: 0.9225428709745958
Energy: 0.7032248810891938
Energy: 0.9225428709776881
Energy: 0.7032248810891938
Energy: 0.9225428709756266
Energy: 0.7032248810886782
Energy: 0.754852819321114
Energy: 0.731243322153754
Energy: 0.7548528193200833
Energy: 0.731243322154738
Energy: 0.754852819321114
Energy: 0.7312433221532386
Energy: 0.7548528193200833
Energy: 0.7844756883732951
Energy: 0.6953940935410146
Energy: 0.7844756883717489
Energy: 0.6953940935404992
Energy: 0.7844756883727797
Energy: 0.69539409354153
Energy: 0.7844756883712336
Energy: 0.7278290508898313
Energy: 0.9226212186326102
Energy: 0.7278290508872542
Energy: 0.9226212186331255
Energy: 0.7278290508903467
Energy: 0.9226212186326102
Energy: 0.7278290508872542
Energy: 0.7098565494973514
Energy: 0.7179467244635785
Energy: 0.7098565494968361
Energy: 0.7179467244651248
Energy: 0.7098565494973514
Energy: 0.7179467244635785
Energy: 0.7098565494968361
Energy: 0.7356475436689245
Energy: 0.7369942944603963
Energy: 0.7356475436694397
Energy: 0.7369942944593654
Energy: 0.7356475436689245
Energy: 0.7369942944603963
Energy: 0.7356475436694397
Energy: 0.7678050682111396
Energy: 0.6956759168358798
Energy: 0.7678050682111396
Energy: 0.6956759168369107
Energy: 0.7678050682111396
Energy: 0.6956759168358798
Energy: 0.7678050682106243
Energy: 0.7352168414496163
Energy: 0.9162265060292116
Energy: 0.7352168414506471
Energy: 0.916226506028696
Energy: 0.7352168414501318
Energy: 0.9162265060292116
Energy: 0.7352168414516779
Energy: 0.7531648734555726
Energy: 0.709587494619172
Energy: 0.7531648734555726
Energy: 0.7095874946181413
Energy: 0.753164873453511
Energy: 0.7095874946196874
Energy: 0.7531648734555726
Energy: 0.7605361557364587
Energy: 0.6946478505010206
Energy: 0.7605361557349126
Energy: 0.6946478505005053
Energy: 0.7605361557364587
Energy: 0.6946478505020515
Energy: 0.7605361557349126
Energy: 0.7684921629227723
Energy: 0.7445006180903329
Energy: 0.7684921629248339
Energy: 0.744500618089302
Energy: 0.7684921629232878
Energy: 0.7445006180908482
Energy: 0.7684921629248339
Energy: 0.7519114217001286
Energy: 0.9628231090423719
Energy: 0.7519114216985825
Energy: 0.9628231090423719
Energy: 0.7519114216996132
Energy: 0.9628231090428873
Energy: 0.751911421698067
Energy: 0.8477831871822368
Energy: 0.7721905645662107
Energy: 0.8477831871832675
Energy: 0.7721905645662107
Energy: 0.8477831871822368
Energy: 0.7721905645662107
Energy: 0.8477831871832675
Energy: 0.8371897092041802
Energy: 0.7633515932911605
Energy: 0.8371897092031492
Energy: 0.7633515932932221
Energy: 0.8371897092046955
Energy: 0.763351593291676
Energy: 0.8371897092036646
Energy: 0.8326294171660685
Energy: 0.8815411635007611
Energy: 0.8326294171655532
Energy: 0.8815411635007611
Energy: 0.8326294171655532
Energy: 0.8815411635012765
Energy: 0.8326294171660685
Energy: 0.8107844488510294
Energy: 0.8697791674294473
Energy: 0.8107844488530909
Energy: 0.8697791674299626
Energy: 0.8107844488520601
Energy: 0.869779167428932
Energy: 0.8107844488505139
Energy: 0.8173607122255643
Energy: 0.768527036427046
Energy: 0.8173607122255643
Energy: 0.7685270364275614
Energy: 0.8173607122250489
Energy: 0.7685270364265308
Energy: 0.8173607122255643
Energy: 0.840718515554021
Energy: 0.7633281295254997
Energy: 0.8407185155529903
Energy: 0.7633281295265304
Energy: 0.8407185155535056
Energy: 0.7633281295260149
Energy: 0.8407185155529903
Energy: 0.7855631911060782
Energy: 0.7746517214649518
Energy: 0.7855631911081398
Energy: 0.7746517214649518
Energy: 0.7855631911060782
Energy: 0.7746517214649518
Energy: 0.7855631911076243
Energy: 0.752496521137369
Energy: 0.9411921510207429
Energy: 0.752496521137369
Energy: 0.9411921510197122
Energy: 0.7524965211363381
Energy: 0.9411921510207429
Energy: 0.752496521137369
Energy: 0.7483927169758713
Energy: 0.7818628289132145
Energy: 0.7483927169732943
Energy: 0.7818628289116683
Energy: 0.7483927169732943
Energy: 0.7818628289132145
Energy: 0.7483927169748404
Energy: 0.7462516505080895
Energy: 0.693743061604544
Energy: 0.7462516505106664
Energy: 0.6937430616029979
Energy: 0.7462516505106664
Energy: 0.693743061604544
Energy: 0.746251650510151
Energy: 0.777426010735089
Energy: 0.7545146292499427
Energy: 0.777426010735089
Energy: 0.7545146292499427
Energy: 0.777426010735089
Energy: 0.7545146292494272
Energy: 0.7774260107356042
Energy: 0.7453573498399164
Energy: 0.8888937785854036
Energy: 0.7453573498383703
Energy: 0.8888937785848883
Energy: 0.7453573498388856
Energy: 0.8888937785854036
Energy: 0.7453573498383703
Energy: 0.7390153704009998
Energy: 0.7377418566132434
Energy: 0.7390153703994536
Energy: 0.7377418566127281
Energy: 0.7390153704009998
Energy: 0.7377418566132434
Energy: 0.739015370399969
Energy: 0.7227906892346279
Energy: 0.7018829995430633
Energy: 0.7227906892356586
Energy: 0.7018829995456403
Energy: 0.7227906892341125
Energy: 0.7018829995435787
Energy: 0.7227906892356586
Energy: 0.7489077101272015
Energy: 0.7240824720489626
Energy: 0.7489077101297784
Energy: 0.7240824720510242
Energy: 0.7489077101272015
Energy: 0.7240824720489626
Energy: 0.748907710129263
Energy: 0.7320172511693104
Energy: 0.920278674843241
Energy: 0.7320172511698259
Energy: 0.9202786748427256
Energy: 0.7320172511693104
Energy: 0.9202786748442718
Energy: 0.7320172511693104
Energy: 0.735483682529168
Energy: 0.7386340842477218
Energy: 0.735483682529168
Energy: 0.7386340842482373
Energy: 0.735483682529168
Energy: 0.7386340842482373
Energy: 0.7354836825296833
Energy: 0.7440949366122097
Energy: 0.6994849971397837
Energy: 0.7440949366132406
Energy: 0.6994849971402992
Energy: 0.7440949366127252
Energy: 0.699484997138753
Energy: 0.7440949366132406
Energy: 0.7263518135429018
Energy: 0.9115992131606204
Energy: 0.7263518135423865
Energy: 0.9115992131595896
Energy: 0.7263518135429018
Energy: 0.9115992131606204
Energy: 0.7263518135414025
Energy: 0.7222886099302179
Energy: 0.7137352394352733
Energy: 0.7222886099281564
Energy: 0.7137352394337271
Energy: 0.7222886099297027
Energy: 0.7137352394352733
Energy: 0.722288609927641
Energy: 0.735291825268266
Energy: 0.7363366507500115
Energy: 0.735291825268266
Energy: 0.7363366507505269
Energy: 0.735291825268266
Energy: 0.7363366507505269
Energy: 0.735291825268266

minimum gb energy = 0.6937430616029979 eV
minimum distance =  2.33396656974202 Angstroms
sigma value = 365


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

Energy: 0.26552778716623476
Energy: 0.27721134686767857
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 1.8757536516750433
Energy: 0.8478474240398893
Energy: 1.6380815464688336
Energy: 0.8478474240398893
Energy: 1.6380814410285904
Energy: 0.8478474240398893
Energy: 1.6380815421991475
Energy: 0.26552778716507275
Energy: 0.27721134686651655
Energy: 0.26552778716507275
Energy: 0.27721134686651655
Energy: 0.26552778716507275
Energy: 0.27721134686651655
Energy: 0.26552778716507275
Energy: 2.1127891117304913
Energy: 0.8478474240398893
Energy: 2.068979402481688
Energy: 0.8478474240387271
Energy: 1.8757536516762052
Energy: 0.8478474240398893
Energy: 1.6380814558645034
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 1.552913208909165
Energy: 0.8478474240398893
Energy: 1.8757536516750433
Energy: 0.8478474240398893
Energy: 1.8757536516796915
Energy: 0.8478474240398893
Energy: 1.8757536516785296
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716507275
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 1.6380814265121013
Energy: 0.8478474240387271
Energy: 1.6380814613014922
Energy: 0.8478474240398893
Energy: 1.6380814198985136
Energy: 0.8478474240387271
Energy: 1.638081482807905
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 1.8757536516773674
Energy: 0.8478474240387271
Energy: 1.5529132089045172
Energy: 0.8478474240387271
Energy: 1.8757536516773674
Energy: 0.8478474240387271
Energy: 1.638081731527875
Energy: 0.26552778716507275
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716507275
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 1.6380816359197787
Energy: 0.8478474240387271
Energy: 1.638081473730755
Energy: 0.8478474240398893
Energy: 1.638081518306974
Energy: 0.8478474240387271
Energy: 1.638081454927149
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 1.6380814216001083
Energy: 0.8478474240398893
Energy: 1.6380814199658584
Energy: 0.8478474240387271
Energy: 1.6380814258070715
Energy: 0.8478474240387271
Energy: 1.6380814213968335
Energy: 0.26552778716507275
Energy: 0.27721134686651655
Energy: 0.26552778716507275
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716507275
Energy: 1.6380816665103406
Energy: 0.8478474240398893
Energy: 1.6380816258239856
Energy: 0.8478474240398893
Energy: 1.6380815334936587
Energy: 0.8478474240398893
Energy: 1.6380816068031872
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 1.6380816260168019
Energy: 0.8478474240398893
Energy: 1.638081569107715
Energy: 0.8478474240398893
Energy: 1.63808143138926
Energy: 0.8478474240398893
Energy: 1.6380815789595895
Energy: 0.26552778716507275
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 0.27721134686651655
Energy: 0.26552778716623476
Energy: 1.6380814201888867
Energy: 0.8478474240398893
Energy: 1.6380814203468426
Energy: 0.8478474240398893
Energy: 1.6380814199832885
Energy: 0.8478474240398893
Energy: 1.6380814264935353

minimum gb energy = 0.26552778716507275 eV
minimum distance =  2.32091222351911 Angstroms
sigma value = 23