Model name: model_name=SNAP_LiHuChen_2018_Cu__MO_529419924683_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6336620748043056
cohesive_energy=2.566513389751755
mass=63.546
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: -1.53523501962818 eV

========================================
theta = 0.0
========================================

Energy: 0.01203612570259226
Energy: 1.3429014794350662
Energy: 1.0591494902931577
Energy: 1.342856242993225
Energy: 0.012036125702085386
Energy: 1.3429014794353196
Energy: 1.0591494902929324
Energy: 0.489543974790665
Energy: 0.012396675930443286
Energy: 0.24602579774042158
Energy: 0.012406234354234153
Energy: 0.489543974790665
Energy: 0.012396675930443286
Energy: 0.24602579774042158
Energy: 0.01203612570259226
Energy: 1.3429014794350662
Energy: 1.0591494902931577
Energy: 1.342856242993225
Energy: 0.012036125702085386
Energy: 1.3429014794353196
Energy: 1.0591494902929324
Energy: 0.489543974790665
Energy: 0.012396675930443286
Energy: 0.24602579774042158
Energy: 0.012406234354234153
Energy: 0.489543974790665
Energy: 0.012396675930443286
Energy: 0.24602579774042158
Energy: 0.01203612570259226
Energy: 1.3429014794350662
Energy: 1.0591494902931577
Energy: 1.342856242993225
Energy: 0.012036125702085386
Energy: 1.3429014794353196
Energy: 1.0591494902929324
Energy: 0.489543974790665
Energy: 0.012396675930443286
Energy: 0.24602579774042158
Energy: 0.012406234354487589
Energy: 0.489543974790665
Energy: 0.012396675930189852
Energy: 0.24602579774042158

minimum gb energy = 0.012036125702085386 eV
minimum distance =  2.54803718771619 Angstroms
sigma value = 5


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

Energy: 1.024847357433693
Energy: 0.9878197440254269
Energy: 0.9453416570948098
Energy: 0.9882865089556022
Energy: 1.024847357433693
Energy: 0.9878197440254269
Energy: 0.9334172243115051
Energy: 0.9218719221200629
Energy: 0.9218454941876927
Energy: 0.9462628076881969
Energy: 0.9660962878203776
Energy: 0.9218719221200629
Energy: 0.9218454941876927
Energy: 0.9462628076881969
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Energy: 0.9927759391133535
Energy: 0.9270807698499619
Energy: 0.9540806935488882
Energy: 0.9380309091114737
Energy: 0.9927759391133535
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Energy: 0.9540806935488882
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Energy: 0.9174100902582291
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Energy: 0.9373210118139331
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Energy: 0.9922721877780397
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Energy: 0.9531207804292652
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Energy: 0.9023332164267024
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Energy: 0.9298939001357764
Energy: 0.924877828317953
Energy: 0.9397686010932664
Energy: 0.9274408043313838
Energy: 0.9298939001327491
Energy: 0.9248778283149255
Energy: 0.9758086117924253
Energy: 0.9781693578399304
Energy: 0.9565371228807308
Energy: 1.0174354642075478
Energy: 0.9758086117893978
Energy: 0.9781693578369031
Energy: 0.9565371228807308
Energy: 0.91272080546567
Energy: 0.9410704003661958
Energy: 0.9316779875548119
Energy: 0.986862865632573
Energy: 0.9127208054686974
Energy: 0.9410704003661958
Energy: 0.9316779875578393
Energy: 0.9093246507004943
Energy: 0.9092842859973529
Energy: 0.9257068679527436
Energy: 0.9543091578395138
Energy: 0.9093246507004943
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Energy: 0.9257068679403587
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Energy: 0.9335315733080766
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Energy: 1.013429810980317
Energy: 0.9365017829789894
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Energy: 0.9112339192102854
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Energy: 0.9496081595177486
Energy: 0.9317007675281184
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Energy: 0.9468828225385835
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Energy: 0.9531279340112928
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Energy: 0.9372139538494052
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Energy: 0.9346217933689885
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Energy: 0.9745489831271481
Energy: 0.9329525176028368
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Energy: 0.9543755821187512
Energy: 0.9962232577853216
Energy: 0.9026147125647018
Energy: 0.9525146012042115
Energy: 0.9664572735925414
Energy: 0.996223257788349
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Energy: 0.9932353552496033
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Energy: 1.0301599982308371
Energy: 0.9911402584107164
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Energy: 0.9931930039667679
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Energy: 0.9919463065657875
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Energy: 0.9769809164039939
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Energy: 0.919496852215084
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Energy: 0.9110853167986485
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Energy: 0.9735325515591285
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Energy: 0.9596907088219432
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Energy: 0.9622409220688928
Energy: 0.9933111101603438
Energy: 0.9406607250567967
Energy: 0.9484976089193732
Energy: 0.9622409220688928
Energy: 0.9933111101633711
Energy: 0.9406607250567967
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Energy: 0.967156125681927
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Energy: 0.9338991728262563
Energy: 0.9757202862869705
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Energy: 0.9729276889860407
Energy: 0.9313504657297488
Energy: 0.9230706620938856
Energy: 0.9798869806510272
Energy: 0.9729276889860407
Energy: 0.9313504657267212
Energy: 0.9230706620938856
Energy: 0.9752620838142677
Energy: 0.906345958643073
Energy: 0.9041087507559982
Energy: 0.9298861547814835
Energy: 0.9752620838142677
Energy: 0.906345958643073
Energy: 0.9041087507559982
Energy: 1.0572950750770436
Energy: 0.9485577847272622
Energy: 0.940361222530933
Energy: 0.9995997843747885
Energy: 1.0572950750800711
Energy: 0.9485577847302895
Energy: 0.9403612225339605
Energy: 0.9647824787976628
Energy: 0.91538029049156
Energy: 0.9438868849091395
Energy: 0.9649768307769164
Energy: 0.9647824787946352
Energy: 0.91538029049156
Energy: 0.9438868849121669
Energy: 0.8914735756291736
Energy: 0.9461776884828513
Energy: 1.0236535994170841
Energy: 0.9366549280251697
Energy: 0.8914735756261463
Energy: 0.9461776884828513
Energy: 1.0236535994170841
Energy: 0.9368981090608305
Energy: 0.957250668821531
Energy: 1.0354239154699132
Energy: 0.9538248960292198
Energy: 0.9368981090608305
Energy: 0.9572506688185035
Energy: 1.0354239154668858
Energy: 0.8919160105102469
Energy: 0.9365399305772476
Energy: 0.9438252557054552
Energy: 0.9296671499461407
Energy: 0.8919160105102469
Energy: 0.9365399305772476
Energy: 0.9438252557054552

minimum gb energy = 0.8914735756261463 eV
minimum distance =  2.32869972484877 Angstroms
sigma value = 401


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

Energy: 0.934961663803652
Energy: 0.9527479104463444
Energy: 0.9169747808980294
Energy: 0.9520771678810429
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Energy: 1.0429884763778388
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Energy: 0.9931726706476435
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Energy: 0.9363569392677281
Energy: 0.8927511895755192
Energy: 0.8896729871040171
Energy: 0.948860958388516
Energy: 0.9008892590568212
Energy: 0.9076072856808248
Energy: 0.8896729871074536
Energy: 0.948860958388516
Energy: 0.9124342809965719
Energy: 0.8895790265544996
Energy: 0.907950422205431
Energy: 0.9309869050454095
Energy: 0.9490252205236154
Energy: 0.8895790265579361
Energy: 0.907950422205431
Energy: 0.9309869050488458
Energy: 0.8897837514745593
Energy: 0.9951196795713845
Energy: 0.9752427622344173
Energy: 0.9363125918197602
Energy: 0.8897837514745593
Energy: 0.9951196795713845
Energy: 0.9752427622412903
Energy: 0.942625515999545
Energy: 0.9794081633434978
Energy: 0.97466294018537
Energy: 0.9344694513857137
Energy: 0.942625515999545
Energy: 0.9794081633434978
Energy: 0.97466294018537
Energy: 0.9240053992091531
Energy: 0.9148282180991726
Energy: 0.9770132692517801
Energy: 0.9355984894932585
Energy: 0.9240053992091531
Energy: 0.9148282180991726
Energy: 0.9770132692517801
Energy: 0.8896461307400534
Energy: 0.9348081490869493
Energy: 0.9683425112016384
Energy: 0.9355153061283275
Energy: 0.8896461307400534
Energy: 0.9348081490903858
Energy: 0.9683425112016384
Energy: 0.9108422266804149
Energy: 0.9754454276554223
Energy: 0.967631226079129
Energy: 0.9923118585963372
Energy: 0.9108422266804149
Energy: 0.9754454276554223
Energy: 0.9676312260825655
Energy: 0.934961663803652
Energy: 0.9527479104463444
Energy: 0.9169747808980294
Energy: 0.9520771678810429
Energy: 0.934961663803652
Energy: 0.9527479104463444
Energy: 0.9169747808980294
Energy: 0.9111259331986673
Energy: 0.9925512481685514
Energy: 1.0454347339273626
Energy: 0.9753648346497418
Energy: 0.9111259331986673
Energy: 0.9925512481685514
Energy: 1.0454347339307992

minimum gb energy = 0.8895790265544996 eV
minimum distance =  2.30500565162055 Angstroms
sigma value = 311


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

Energy: 0.9943041617601509
Energy: 0.9366193087965052
Energy: 1.066114231862624
Energy: 0.9367616627187493
Energy: 0.9943041617609445
Energy: 0.9366193087965052
Energy: 1.0724342085930927
Energy: 1.0080862995919626
Energy: 0.96121147871482
Energy: 1.034628235387508
Energy: 0.9888764017082303
Energy: 1.0080862995923596
Energy: 0.9612114787144231
Energy: 1.034628235387905
Energy: 0.9725561750140438
Energy: 0.9308282927234776
Energy: 1.0110199785136622
Energy: 0.9733020575584657
Energy: 0.9725561750144407
Energy: 0.9308282927230808
Energy: 1.0528001911556422
Energy: 0.9658863173676846
Energy: 0.9525854340380433
Energy: 1.0110219291039637
Energy: 0.9409605483628387
Energy: 0.9658863173676846
Energy: 0.9525854340384402
Energy: 1.0110219291039637
Energy: 0.9828023897954086
Energy: 0.9463161189379853
Energy: 1.02875436598061
Energy: 0.9658411156558708
Energy: 0.9828023897954086
Energy: 0.9463161189375885
Energy: 1.021661395328435
Energy: 0.9486499570571638
Energy: 0.9761899218702651
Energy: 0.9888619565962473
Energy: 0.9687709132211303
Energy: 0.9486499570571638
Energy: 0.9761899218702651
Energy: 0.9888619565962473
Energy: 0.9637368252987318
Energy: 0.9646824520949157
Energy: 0.9660405118027733
Energy: 0.9546607661665903
Energy: 0.9637368252983349
Energy: 0.9646824520953126
Energy: 0.9519811484552783
Energy: 0.9634622668023777
Energy: 0.9467690772563698
Energy: 1.0140026867376162
Energy: 0.9582760178517744
Energy: 0.9634622668023777
Energy: 0.9467690772559731
Energy: 1.0140026867372194
Energy: 0.9718417871022416
Energy: 0.9394493638423534
Energy: 0.9942522505047583
Energy: 0.9692690426412836
Energy: 0.9718417871022416
Energy: 0.9394493638419565
Energy: 1.0150286508887854
Energy: 0.9477620173867896
Energy: 0.9705861647583377
Energy: 1.0506365509102586
Energy: 0.9625083822653675
Energy: 0.9477620173863927
Energy: 0.9705861647579409
Energy: 1.0506365509102586
Energy: 0.99401228549313
Energy: 0.9994796535119658
Energy: 0.9688338505086806
Energy: 0.924110367728194
Energy: 0.9940122854927332
Energy: 0.9994796535123626
Energy: 0.9688338505090774
Energy: 0.9699586268523378
Energy: 0.9573134875636594
Energy: 0.9791505518803081
Energy: 0.9758185233946045
Energy: 0.9699586268519411
Energy: 0.9573134875640563
Energy: 0.9791505518791176
Energy: 0.9782942580965867
Energy: 0.9552518797882936
Energy: 1.0071804345177346
Energy: 0.9570527314233188
Energy: 0.9782942580965867
Energy: 0.9552518797882936
Energy: 1.0071804345177346
Energy: 0.9590297267358792
Energy: 0.9564635190358464
Energy: 0.9676081403969989
Energy: 0.9819020853853277
Energy: 0.9590297267350856
Energy: 0.9564635190358464
Energy: 0.9676081403969989
Energy: 0.9929611083160109
Energy: 0.9319015697973595
Energy: 0.994601856189592
Energy: 0.9558435005574687
Energy: 0.9929611083156141
Energy: 0.9319015697969627
Energy: 0.9946018561891952
Energy: 0.9603210596917106
Energy: 0.9758114527375622
Energy: 0.9883763210868222
Energy: 0.9599900691607165
Energy: 0.9603210596921073
Energy: 0.9758114527371655
Energy: 0.9883763210864254
Energy: 0.9647347254992885
Energy: 0.9491935391455678
Energy: 0.9805305564382147
Energy: 0.983608953638668
Energy: 0.9647347254988917
Energy: 0.9491935391455678
Energy: 0.9805305564386116
Energy: 0.9563653943696669
Energy: 0.9645064769065859
Energy: 1.0600849363921159
Energy: 0.9660818150372544
Energy: 0.9563653943696669
Energy: 0.9645064769061891
Energy: 1.0600849363925127
Energy: 0.9720036780791298
Energy: 0.9455899885209162
Energy: 0.9744881578076587
Energy: 0.9423897501680232
Energy: 0.9720036780795266
Energy: 0.9455899885205195
Energy: 0.9744881578072621
Energy: 0.989702535517648
Energy: 0.9668211333728635
Energy: 1.057090283225847
Energy: 0.9698859768721265
Energy: 0.9897025355172511
Energy: 0.9668211333728635
Energy: 1.05709028322545
Energy: 0.963677925287414
Energy: 0.9609199727448638
Energy: 1.0240839050825155
Energy: 0.9795758409027872
Energy: 0.9636779252878108
Energy: 0.9609199727456575
Energy: 1.0240839050829122
Energy: 0.9487214901045359
Energy: 0.99398937496211
Energy: 0.9882983812751531
Energy: 0.9444222270721612
Energy: 0.9487214901045359
Energy: 0.99398937496211
Energy: 0.9882983812751531
Energy: 0.9846964948753069
Energy: 0.9552881178382099
Energy: 0.9819022324357886
Energy: 0.9463550597359525
Energy: 0.9846964948757038
Energy: 0.9552881178382099
Energy: 0.9819022324353918
Energy: 0.9657016302566462
Energy: 0.9287403760020067
Energy: 1.0554645321812945
Energy: 0.9674915973452349
Energy: 0.9657016302570429
Energy: 0.9287403760024034
Energy: 1.0554645321808978
Energy: 0.9744189971624148
Energy: 0.950345456242689
Energy: 0.9786356449979562
Energy: 0.979761260654359
Energy: 0.9744189971628116
Energy: 0.950345456242689
Energy: 0.9786356449979562
Energy: 0.987563836573255
Energy: 0.9824287978887725
Energy: 1.0078989841244734
Energy: 0.9614267921462291
Energy: 0.987563836573255
Energy: 0.9824287978887725
Energy: 1.0078989841248704
Energy: 1.003942808705452
Energy: 0.9365823556374069
Energy: 1.0000134497049729
Energy: 0.9647944884230785
Energy: 1.0039428087058488
Energy: 0.9365823556374069
Energy: 1.0000134497053697
Energy: 0.9847783995222841
Energy: 0.9855961917491652
Energy: 1.0086610420880062
Energy: 0.9888261912370939
Energy: 0.9847783995218873
Energy: 0.985596191749562
Energy: 1.0086610420876092
Energy: 0.9605391559987134
Energy: 0.9489948786385577
Energy: 1.049972730261579
Energy: 0.9502634061266091
Energy: 0.9605391559987134
Energy: 0.9489948786385577
Energy: 1.049972730261579
Energy: 0.9487126612794223
Energy: 0.9600298705601814
Energy: 0.9667830982809511
Energy: 0.926657335969058
Energy: 0.9487126612794223
Energy: 0.9600298705597845
Energy: 0.9667830982805543
Energy: 0.9799700493812225
Energy: 0.9462641055927389
Energy: 1.019512656210499
Energy: 0.9558388844055554
Energy: 0.9799700493812225
Energy: 0.9462641055927389
Energy: 1.0195126562101022
Energy: 0.9565517958255751
Energy: 0.9443513638535933
Energy: 0.9652119660854631
Energy: 0.9525970985238841
Energy: 0.9565517958255751
Energy: 0.9443513638535933
Energy: 0.9652119660850663
Energy: 0.9635547533505392
Energy: 0.9781806191637242
Energy: 0.9388876312114353
Energy: 0.9611160139899959
Energy: 0.9635547533505392
Energy: 0.9781806191637242
Energy: 0.9388876312118319
Energy: 0.9634730925344086
Energy: 0.9534823193768663
Energy: 1.0446800437106991
Energy: 0.975075866571498
Energy: 0.9634730925344086
Energy: 0.9534823193768663
Energy: 1.044680043711096
Energy: 0.9635654610370421
Energy: 0.9396204788461481
Energy: 0.9675483440359642
Energy: 0.9536966906764567
Energy: 0.9635654610370421
Energy: 0.9396204788457513
Energy: 0.9675483440363611
Energy: 0.9519129283438468
Energy: 0.9705807395530024
Energy: 1.0399287161606716
Energy: 0.969887712067333
Energy: 0.9519129283438468
Energy: 0.9705807395533993
Energy: 1.0399287161610682

minimum gb energy = 0.924110367728194 eV
minimum distance =  2.34851561138712 Angstroms
sigma value = 39


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

Energy: 0.9605128033360028
Energy: 0.9588224962141708
Energy: 1.0352877188905703
Energy: 0.9616494231292804
Energy: 0.9605128033355343
Energy: 0.9588224962141708
Energy: 0.9699640637286522
Energy: 0.9482948688023768
Energy: 0.9327092277683411
Energy: 0.8781783904943394
Energy: 0.9353404980252223
Energy: 0.9482948688037816
Energy: 0.9327092277692777
Energy: 0.8781783904962127
Energy: 0.9605327418868317
Energy: 0.8938551931633298
Energy: 0.9339565697176655
Energy: 0.9415610454395854
Energy: 0.9605327418858951
Energy: 0.893855193161925
Energy: 0.9339565697162605
Energy: 0.9479286820893703
Energy: 0.9315667431959684
Energy: 0.8785083050479668
Energy: 0.9324198973090021
Energy: 0.9479286820907752
Energy: 0.9315667431955
Energy: 0.8785083050474985
Energy: 0.9972569278439405
Energy: 0.9413104584283243
Energy: 0.9568268374120715
Energy: 0.9416738662110441
Energy: 0.9972569278439405
Energy: 0.9413104584273877
Energy: 0.9568268374120715
Energy: 0.9480461962443499
Energy: 0.9349881812639775
Energy: 0.9987581827220835
Energy: 0.9363949682888268
Energy: 0.9480461962434132
Energy: 0.9349881812635092
Energy: 0.9987581827216151
Energy: 0.9822012884620019
Energy: 0.9410424266063483
Energy: 0.979049203426355
Energy: 0.9416605239621267
Energy: 0.9822012884629385
Energy: 0.94104242660588
Energy: 0.9793117914817888
Energy: 0.9478919328028971
Energy: 0.8852989634068282
Energy: 0.9877014502874218
Energy: 0.8852871343525822
Energy: 0.9478919328038337
Energy: 0.8852989634068282
Energy: 0.9877014502883583
Energy: 0.9822259452088634
Energy: 0.941368070748254
Energy: 0.933129798760265
Energy: 0.9410779254654529
Energy: 0.9822259452074585
Energy: 0.9413680707491906
Energy: 0.9331297987612016
Energy: 0.9479245417023906
Energy: 0.9365855435016014
Energy: 1.0006863826838943
Energy: 0.9349889376513733
Energy: 0.947924541702859
Energy: 0.9365855435006648
Energy: 1.0006863826838943
Energy: 0.9968564998718915
Energy: 0.9414755164442403
Energy: 0.9440427811220765
Energy: 0.9411935084626099
Energy: 0.9968564998700182
Energy: 0.941475516443772
Energy: 0.9601734824433878
Energy: 0.9479565787498428
Energy: 0.9324734922901577
Energy: 0.8787082906078387
Energy: 0.9317041197533046
Energy: 0.9479565787503111
Energy: 0.9324734922901577
Energy: 0.8787082906078387
Energy: 0.96053375660394
Energy: 0.9415122689704174
Energy: 0.9482820035945982
Energy: 0.8938306650701572
Energy: 0.9605337566048766
Energy: 0.9415122689704174
Energy: 0.9482820035945982
Energy: 0.9482709628542656
Energy: 0.9331449858732406
Energy: 0.8782332790901586
Energy: 0.9326380921959604
Energy: 0.9482709628537973
Energy: 0.9331449858732406
Energy: 0.8782332790896903
Energy: 0.9605128033360028
Energy: 0.9588224962141708
Energy: 0.9699640637295889
Energy: 0.9616494231292804
Energy: 0.9605128033355343
Energy: 0.9588224962137025
Energy: 0.9699640637286522
Energy: 0.9482948688023768
Energy: 0.9327092277683411
Energy: 0.8781783904948077
Energy: 0.9353404980252223
Energy: 0.9482948688037816
Energy: 0.9327092277692777
Energy: 0.8781783904962127
Energy: 0.9605327418863633
Energy: 0.8938551931633298
Energy: 0.9339565697176655
Energy: 0.9415610454395854
Energy: 0.9605327418854267
Energy: 0.893855193161925
Energy: 0.9339565697162605
Energy: 0.9479286820893703
Energy: 0.9315667432011199
Energy: 0.8785083050479668
Energy: 0.9324198973090021
Energy: 0.9479286820907752
Energy: 0.9315667432020566
Energy: 0.8785083050474985
Energy: 0.9972569278444088
Energy: 0.9413104584283243
Energy: 0.9568268374116032
Energy: 0.9416738662110441
Energy: 0.9972569278439405
Energy: 0.9413104584273877
Energy: 0.9568268374125398
Energy: 0.9480461962438815
Energy: 0.9349881812639775
Energy: 0.9987581827230199
Energy: 0.9363949682888268
Energy: 0.9480461962434132
Energy: 0.9349881812635092
Energy: 0.9987581827211468
Energy: 0.9822012884620019
Energy: 0.94104242660588
Energy: 0.9319317424006671
Energy: 0.9416605239616586
Energy: 0.9822012884624703
Energy: 0.94104242660588
Energy: 0.9319317424006671
Energy: 0.9478919328028971
Energy: 0.8852989634068282
Energy: 0.9877014502874218
Energy: 0.8852871343525822
Energy: 0.9478919328038337
Energy: 0.8852989634068282
Energy: 0.9877014502878899
Energy: 0.9822259452088634
Energy: 0.941368070748254
Energy: 0.933129798760265
Energy: 0.9410779254654529
Energy: 0.9822259452074585
Energy: 0.9413680707491906
Energy: 0.9331297987612016
Energy: 0.9479245417019223
Energy: 0.936585543501133
Energy: 1.0006863826838943
Energy: 0.9349889376513733
Energy: 0.947924541702859
Energy: 0.9365855435006648
Energy: 1.000686382683426
Energy: 0.9968564998709549
Energy: 0.9414755164442403
Energy: 0.8688701060411267
Energy: 0.9411935084626099
Energy: 0.99685649986955
Energy: 0.941475516443772
Energy: 0.9124072451706211
Energy: 0.9479565787498428
Energy: 0.9324734922901577
Energy: 0.8787082906078387
Energy: 0.931704119758456
Energy: 0.9479565787503111
Energy: 0.9324734922901577
Energy: 0.8787082906078387
Energy: 0.96053375660394
Energy: 0.9415122689704174
Energy: 0.9320269245618837
Energy: 0.8938306650701572
Energy: 0.9605337566048766
Energy: 0.9415122689704174
Energy: 0.9320269245618837
Energy: 0.9482709628542656
Energy: 0.9331449858732406
Energy: 0.8782332790901586
Energy: 0.9326380921959604
Energy: 0.9482709628537973
Energy: 0.9331449858732406
Energy: 0.8782332790896903
Energy: 0.9605128033360028
Energy: 0.9588224962141708
Energy: 0.9699640637295889
Energy: 0.9616494231292804
Energy: 0.9605128033355343
Energy: 0.9588224962137025
Energy: 0.9699640637286522
Energy: 0.9482948688023768
Energy: 0.9327092277683411
Energy: 0.8781783904948077
Energy: 0.9353404980252223
Energy: 0.9482948688037816
Energy: 0.9327092277697461
Energy: 0.8781783904962127

minimum gb energy = 0.8688701060411267 eV
minimum distance =  2.33854629768729 Angstroms
sigma value = 21


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

Energy: 0.967212775992018
Energy: 0.9971921429206514
Energy: 0.9756633260145329
Energy: 0.9972194756193878
Energy: 0.967212775992018
Energy: 0.9971921429212199
Energy: 0.9756633260145329
Energy: 1.002243717829343
Energy: 0.9206313652829028
Energy: 0.9907050646501971
Energy: 0.9206530174872946
Energy: 1.0022437178287744
Energy: 0.9206313652823342
Energy: 0.9907050646501971
Energy: 0.9675601222885697
Energy: 0.9219520482079954
Energy: 0.9183372429901522
Energy: 0.9394168422571242
Energy: 0.9675601222880011
Energy: 0.9219520482079954
Energy: 0.9183372429895836
Energy: 0.9931069733419027
Energy: 0.9206081246519463
Energy: 0.9763910254088582
Energy: 0.9205010692604078
Energy: 0.9931069733424712
Energy: 0.9206081246525148
Energy: 0.9763910254088582
Energy: 0.9332936046003449
Energy: 0.9457989496824599
Energy: 0.964384642569343
Energy: 0.9445676039380521
Energy: 0.9332936046009135
Energy: 0.9457989496818914
Energy: 0.9643846425699115
Energy: 0.9937367673891542
Energy: 0.945957373359206
Energy: 1.039193788620204
Energy: 0.9203789598293789
Energy: 0.9937367673891542
Energy: 0.9459573733586375
Energy: 1.039193788620204
Energy: 0.9670343946449935
Energy: 0.945493951181894
Energy: 0.9644862216139325
Energy: 0.946887636719625
Energy: 0.967034394644425
Energy: 0.945493951181894
Energy: 0.9644862216139325
Energy: 0.9789140042956351
Energy: 0.9479000351114907
Energy: 1.0394230695090694
Energy: 0.9203799254613974
Energy: 0.9789140042956351
Energy: 0.9479000351114907
Energy: 1.0394230695085007
Energy: 0.9666852156763972
Energy: 0.9210724606069144
Energy: 1.0023068356153961
Energy: 0.9510977333955888
Energy: 0.9666852156758287
Energy: 0.9210724606069144
Energy: 1.0023068356153961
Energy: 0.9671252146082566
Energy: 0.9471772206573879
Energy: 0.9469498775608329
Energy: 0.9206506000059731
Energy: 0.9671252146076882
Energy: 0.9471772206579563
Energy: 0.9469498775602645
Energy: 0.9756880243303454
Energy: 0.9216103493173443
Energy: 0.9587344804417262
Energy: 0.9393285834810052
Energy: 0.9756880243303454
Energy: 0.9216103493173443
Energy: 0.9587344804422947
Energy: 0.9024744608623443
Energy: 0.9463451986236905
Energy: 0.9699667385652733
Energy: 0.896407344699936
Energy: 0.9024744608623443
Energy: 0.9463451986231219
Energy: 0.9699667385652733
Energy: 0.9756470226447105
Energy: 0.9218598566854532
Energy: 0.9665276385405746
Energy: 0.9332006201931377
Energy: 0.9756470226447105
Energy: 0.9218598566854532
Energy: 0.9665276385405746
Energy: 0.9048883162160111
Energy: 0.9458343798020292
Energy: 0.9923451417602204
Energy: 0.9480992306419295
Energy: 0.9048883162154425
Energy: 0.9458343798020292
Energy: 0.9923451417602204
Energy: 0.992934988972398
Energy: 0.910875607459961
Energy: 0.9514116776494446
Energy: 0.9232054759467831
Energy: 0.992934988972398
Energy: 0.910875607459961
Energy: 0.951411677650013
Energy: 0.9042755183713396
Energy: 0.9812699238146493
Energy: 0.9472624418672789
Energy: 0.9910600794021293
Energy: 0.9042755183724767
Energy: 0.9812699238146493
Energy: 0.9472624418678474
Energy: 0.988694175130029
Energy: 0.9111616761731776
Energy: 1.0136789930534837
Energy: 0.9472841296263319
Energy: 0.988694175130029
Energy: 0.9111616761731776
Energy: 1.0136789930540522
Energy: 0.9023159458516307
Energy: 0.944990007965834
Energy: 0.9469460484972161
Energy: 0.979253609290888
Energy: 0.9023159458510621
Energy: 0.9449900079652654
Energy: 0.9469460484972161
Energy: 0.9677485381668703
Energy: 0.9104508125811608
Energy: 1.060234771832411
Energy: 0.9245814464399627
Energy: 0.9677485381668703
Energy: 0.9104508125811608
Energy: 1.060234771832411
Energy: 0.9016450551146772
Energy: 0.9738602783782987
Energy: 0.940400375705857
Energy: 0.9738758427555911
Energy: 0.9016450551146772
Energy: 0.9738602783782987
Energy: 0.940400375705857
Energy: 0.9677469445402097
Energy: 0.9244308326618303
Energy: 1.0602588857035378
Energy: 0.9104489730202565
Energy: 0.9677469445402097
Energy: 0.9244308326618303
Energy: 1.0602588857035378
Energy: 0.90235291919424
Energy: 0.9791468688544684
Energy: 0.9469546431010565
Energy: 0.9449888172890293
Energy: 0.90235291919424
Energy: 0.9791468688544684
Energy: 0.946954643101625
Energy: 0.9884862260835343
Energy: 0.9475387278061728
Energy: 0.9624515875443593
Energy: 0.9111547801944747
Energy: 0.9884862260841029
Energy: 0.9475387278061728
Energy: 0.9624515875449278
Energy: 0.9044034697519969
Energy: 0.9910802352836512
Energy: 0.9478007020439527
Energy: 0.9811445654126185
Energy: 0.9044034697508857
Energy: 0.9910802352836512
Energy: 0.9478007020433843
Energy: 0.9933590565826447
Energy: 0.9237150431211785
Energy: 0.9901935509296061
Energy: 0.9107547210960594
Energy: 0.9933590565826447
Energy: 0.9237150431211785
Energy: 0.9901935509091401

minimum gb energy = 0.896407344699936 eV
minimum distance =  2.34956945990387 Angstroms
sigma value = 113


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

Energy: 0.8919213294457207
Energy: 0.9464559180929354
Energy: 0.9385255366577401
Energy: 0.9462858543044677
Energy: 0.8919213294488936
Energy: 0.9464559180961081
Energy: 0.9385255366577401
Energy: 0.939199215464508
Energy: 0.9360638303184612
Energy: 0.9974630921402661
Energy: 0.9349241170078815
Energy: 0.939199215464508
Energy: 0.9360638303184612
Energy: 0.9974630921402661
Energy: 0.8896868884612266
Energy: 0.9118472632764769
Energy: 0.9887491280612314
Energy: 0.9105965025851762
Energy: 0.8896868884643994
Energy: 0.9118472632733041
Energy: 0.9887491280612314
Energy: 0.8560640606419895
Energy: 0.9360455373377442
Energy: 1.0388606223192318
Energy: 0.9341254947406987
Energy: 0.8560640606419895
Energy: 0.9360455373377442
Energy: 1.0388606223192318
Energy: 0.9388644046827801
Energy: 0.8607673901693463
Energy: 0.9320488672143658
Energy: 0.8680819727069015
Energy: 0.9388644046827801
Energy: 0.8607673901693463
Energy: 0.932048867211193
Energy: 0.8558825059559879
Energy: 0.8854972579538175
Energy: 1.051914637863718
Energy: 0.9214387193689412
Energy: 0.855882505952844
Energy: 0.8854972579506448
Energy: 1.051914637863718
Energy: 0.9191536137300151
Energy: 0.860732321427055
Energy: 0.9127327786044056
Energy: 0.8756830264195735
Energy: 0.9191536137331878
Energy: 0.860732321427055
Energy: 0.9127327786044056
Energy: 0.8559377885009652
Energy: 0.8938375745214445
Energy: 1.002175079284723
Energy: 0.9190277964765126
Energy: 0.8559377885009652
Energy: 0.8938375745214445
Energy: 1.002175079284723
Energy: 0.9191230160978278
Energy: 0.8677341520325289
Energy: 0.9422409822710971
Energy: 0.8657177402940629
Energy: 0.9191230160978278
Energy: 0.867734152029356
Energy: 0.9422409822710971
Energy: 0.8587313240317715
Energy: 0.8938444327445351
Energy: 0.9552029327146633
Energy: 0.9296237803190204
Energy: 0.8587313240349443
Energy: 0.8938444327445351
Energy: 0.9552029327146633
Energy: 0.9181619722083132
Energy: 0.8860540947069572
Energy: 0.9793864460494477
Energy: 0.8656565783420962
Energy: 0.9181619722083132
Energy: 0.8860540947069572
Energy: 0.9793864460494477
Energy: 0.8585894972120305
Energy: 0.8929628120324554
Energy: 0.9338512525474386
Energy: 0.8844167810833556
Energy: 0.8585894972120305
Energy: 0.8929628120324554
Energy: 0.9338512525474386
Energy: 0.9193350526343674
Energy: 0.8858009119697298
Energy: 0.9123587355391668
Energy: 0.8983686675241493
Energy: 0.9193350526375402
Energy: 0.8858009119665567
Energy: 0.9123587355391668
Energy: 0.960600110599551
Energy: 0.9598216184413666
Energy: 0.934562599955345
Energy: 0.937538898979337
Energy: 0.960600110599551
Energy: 0.9598216184381938
Energy: 0.9345625999585179
Energy: 0.9191391017236185
Energy: 0.9285018656078372
Energy: 0.988667700470881
Energy: 0.9753912390803533
Energy: 0.9191391017204456
Energy: 0.9285018656078372
Energy: 0.988667700470881
Energy: 0.9605283242317929
Energy: 0.8932909403007585
Energy: 0.927886557991996
Energy: 0.8837543060337725
Energy: 0.9605283242286201
Energy: 0.8932909403007585
Energy: 0.927886557991996
Energy: 0.9112836424416891
Energy: 0.8852883437695256
Energy: 0.988133513304432
Energy: 0.8905504809650641
Energy: 0.9112836424416891
Energy: 0.8852883437726984
Energy: 0.988133513304432
Energy: 0.8577781103029618
Energy: 0.8855298702241775
Energy: 0.9000698322818335
Energy: 0.8932486945786327
Energy: 0.8577781103061347
Energy: 0.8855298702241775
Energy: 0.9000698322818335
Energy: 0.9111415947967195
Energy: 0.8874244187274438
Energy: 0.921852833512424
Energy: 0.8977683403667546
Energy: 0.9111415947967195
Energy: 0.8874244187306166
Energy: 0.9218528335155969
Energy: 0.8619709012623408
Energy: 0.8778787571188252
Energy: 0.913341619704528
Energy: 0.8820901829141805
Energy: 0.8619709012623408
Energy: 0.8778787571188252
Energy: 0.913341619704528
Energy: 0.88666391050608
Energy: 0.8680933904733035
Energy: 0.9766105633815094
Energy: 0.9526408004382206
Energy: 0.88666391050608
Energy: 0.8680933904733035
Energy: 0.9766105633815094
Energy: 0.8616705128513821
Energy: 0.8744703495537635
Energy: 0.9372314324299358
Energy: 0.8800397296916094
Energy: 0.8616705128513821
Energy: 0.8744703495537635
Energy: 0.9372314324299358
Energy: 0.8868030207133762
Energy: 0.8744734830180118
Energy: 0.9435352415575601
Energy: 0.9332295904288023
Energy: 0.886803020716549
Energy: 0.8744734830180118
Energy: 0.9435352415575601
Energy: 0.8643379042699026
Energy: 0.8817120984547275
Energy: 0.9403094139576578
Energy: 0.880145801651759
Energy: 0.8643379042667587
Energy: 0.8817120984547275
Energy: 0.9403094139608305
Energy: 0.8866404350532949
Energy: 0.9287568469393233
Energy: 0.9932144529317306
Energy: 0.977045606576397
Energy: 0.8866404350564678
Energy: 0.9287568469393233
Energy: 0.9932144529317306
Energy: 0.8825786607187571
Energy: 0.9237534409075032
Energy: 1.026421788232654
Energy: 0.9243432608475615
Energy: 0.8825786607155843
Energy: 0.9237534409075032
Energy: 1.0264217882294815
Energy: 0.989472365618071
Energy: 0.9289376525870361
Energy: 0.9579169327662985
Energy: 0.9773690649795165
Energy: 0.989472365618071
Energy: 0.9289376525870361
Energy: 0.9579169327631256
Energy: 0.8825631807139382
Energy: 0.9703147516070396
Energy: 0.9650125471965615
Energy: 0.971237351102809
Energy: 0.8825631807139382
Energy: 0.9703147516070396
Energy: 0.9650125471933887
Energy: 0.9895062811455445
Energy: 0.9292587894392945
Energy: 0.939549676622375
Energy: 0.9773335667623825
Energy: 0.9895062811455445
Energy: 0.9292587894392945
Energy: 0.939549676622375
Energy: 0.8825348443029465
Energy: 0.9236963163220656
Energy: 0.9610118677944186
Energy: 0.9352232592790047
Energy: 0.8825348443029465
Energy: 0.9236963163252384
Energy: 0.9610118677944186
Energy: 0.9404659901871478
Energy: 0.9289564715991868
Energy: 0.9925911528491278
Energy: 0.9777628573642932
Energy: 0.9404659901839751
Energy: 0.9289564715991868
Energy: 0.9925911528523006
Energy: 0.8825966115682953
Energy: 0.8821483099501517
Energy: 0.8958656249910006
Energy: 0.8919244225067843
Energy: 0.8825966115682953
Energy: 0.8821483099469788
Energy: 0.8958656249910006
Energy: 0.93987814220567
Energy: 0.8800956786043623
Energy: 0.9277705212186997
Energy: 0.922100279621638
Energy: 0.93987814220567
Energy: 0.8800956786043623
Energy: 0.9277705212186997
Energy: 0.8901460821106216
Energy: 0.8823064530748055
Energy: 0.9125183425120277
Energy: 0.8816524536674463
Energy: 0.8901460821106216
Energy: 0.8823064530748055
Energy: 0.9125183425120277
Energy: 0.8962637002927232
Energy: 0.8900113978266221
Energy: 1.0209003369543683
Energy: 0.912663702826342
Energy: 0.8962637002927232
Energy: 0.8900113978266221
Energy: 1.0209003369543683
Energy: 0.8905589224639489
Energy: 0.8819859382039877
Energy: 0.9655578875042429
Energy: 0.8882916256362062
Energy: 0.8905589224639489
Energy: 0.8819859382039877
Energy: 0.9655578875042429
Energy: 0.896982521408075
Energy: 0.8790914091917509
Energy: 0.9492719279551135
Energy: 0.9330736042351928
Energy: 0.8969825214112479
Energy: 0.8790914091917509
Energy: 0.9492719279551135
Energy: 0.8936526324374259
Energy: 0.8740169173498412
Energy: 0.9047290026593373
Energy: 0.8883055125079625
Energy: 0.8936526324342529
Energy: 0.8740169173498412
Energy: 0.9047290026593373
Energy: 0.8968412665984803
Energy: 0.9310066986036982
Energy: 0.9807120243160888
Energy: 0.914537560434292
Energy: 0.8968412665984803
Energy: 0.9310066986036982
Energy: 0.9807120243160888
Energy: 0.8941049524530288
Energy: 0.913131125204821
Energy: 0.9857140845457018
Energy: 0.9293645722327634
Energy: 0.8941049524530288
Energy: 0.913131125204821
Energy: 0.9857140845457018
Energy: 0.9849475680527755
Energy: 0.9183633321012042
Energy: 1.0633196293298988
Energy: 0.9142897238992636
Energy: 0.9849475680527755
Energy: 0.9183633321012042
Energy: 1.0633196293298988
Energy: 0.8938719556161301
Energy: 0.9290237305024802
Energy: 1.120801779466581
Energy: 0.9732039070515603
Energy: 0.8938719556193031
Energy: 0.9290237305024802
Energy: 1.120801779466581
Energy: 0.9631718090046651
Energy: 0.9183781784846831
Energy: 0.9676200592867878
Energy: 0.9140444741586763
Energy: 0.9631718090014924
Energy: 0.918378178487856
Energy: 0.9676200592867878
Energy: 0.8952356011050154
Energy: 0.8871393961757881
Energy: 1.0747455328757292
Energy: 0.8887523847130503
Energy: 0.8952356011018426
Energy: 0.8871393961757881
Energy: 1.0747455328757292
Energy: 0.8617289417401831
Energy: 0.9233903111084936
Energy: 0.9684381961281375
Energy: 0.9345709288402021
Energy: 0.8617289417401831
Energy: 0.9233903111084936
Energy: 0.9684381961281375

minimum gb energy = 0.855882505952844 eV
minimum distance =  2.27876305771755 Angstroms
sigma value = 365


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

Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8424367077130217
Energy: 0.7700012478061448
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8424367077123063
Energy: 0.7856018046974961
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8195762024873153
Energy: 0.7856018046967806
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8644133459888433
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8424367077123063
Energy: 0.7700012478061448
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8424367077123063
Energy: 0.7856018046974961
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8644133459716749
Energy: 0.7856018046967806
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8644133459523767
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8424367077123063
Energy: 0.7700012478061448
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8424367077123063
Energy: 0.7856018046974961
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8644133459874126
Energy: 0.7856018046967806
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 1.1851927105047688
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.7763381879376144
Energy: 0.7700012478061448
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8424367077123063
Energy: 0.7856018046974961
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8644133459716749
Energy: 0.7856018046967806
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8644133459773977
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8424367077130217
Energy: 0.7700012478061448
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8424367077123063
Energy: 0.7856018046974961
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 1.1851927105047688
Energy: 0.7856018046967806
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478061448
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8644133459752517
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8644133460017033
Energy: 0.7700012478061448
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8424367077123063
Energy: 0.7856018046974961
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 1.185192710505484
Energy: 0.7856018046967806
Energy: 0.7700012478068438
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8644133459609609
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 0.8644133460102875
Energy: 0.7700012478061448
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 0.8424367077123063
Energy: 0.7856018046974961
Energy: 0.7700012478061448
Energy: 1.1851927105047688
Energy: 0.7700012478068438
Energy: 0.7856018046967806
Energy: 0.7700012478061448
Energy: 1.1851927105047688

minimum gb energy = 0.7700012478061448 eV
minimum distance =  2.29779821700849 Angstroms
sigma value = 23