Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_004
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=3.607352703809738
cohesive_energy=3.5352136626369166
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: 0.0 eV

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

Energy: 0.016839796069417115
Energy: 0.6568835752729196
Energy: 0.7623193634221941
Energy: 0.6569000292247572
Energy: 0.016839796068159954
Energy: 0.6568835752718911
Energy: 0.3876943129539922
Energy: 0.7612064518307231
Energy: 0.017341152363409197
Energy: 0.32964777519278327
Energy: 0.017322565173536583
Energy: 0.761206451829466
Energy: 0.01734115236440921
Energy: 0.3296477751930404
Energy: 0.016839796069417115
Energy: 0.6568835752721481
Energy: 1.630920271858451
Energy: 0.6569000292250142
Energy: 0.016839796068159954
Energy: 0.6568835752714054
Energy: 0.3876943129542494
Energy: 0.7612064518309803
Energy: 0.017341152363409197
Energy: 0.3296477751930404
Energy: 0.017322565173536583
Energy: 0.7612064518292373
Energy: 0.017341152365152077
Energy: 0.3296477751930404
Energy: 0.016839796069417115
Energy: 0.6568835752724054
Energy: 1.6309202718576796
Energy: 0.6569000292245
Energy: 0.016839796068159954
Energy: 0.6568835752714054
Energy: 0.3876943129539922
Energy: 0.7612064518304945
Energy: 0.017341152363666342
Energy: 0.32964777519278327
Energy: 0.017322565173793728
Energy: 0.7612064518292373
Energy: 0.017341152364666358
Energy: 0.3296477751930404

minimum gb energy = 0.016839796068159954 eV
minimum distance =  2.53248909421685 Angstroms
sigma value = 5


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

Energy: 1.6637921987277962
Energy: 1.56147120312651
Energy: 1.6097612598902136
Energy: 1.5611112374208511
Energy: 1.66379219873394
Energy: 1.5614712031357252
Energy: 1.6097612599055724
Energy: 1.5486116524369546
Energy: 1.5362512133483424
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Energy: 1.5604210612636973
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Energy: 1.5362512133206967
Energy: 1.5817235559006357
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Energy: 1.5842830146615525
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Energy: 1.5857172492288525
Energy: 1.543223908625199
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Energy: 1.5868990584067524
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Energy: 1.57338888890706
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Energy: 1.5840141560704812
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Energy: 1.5394473578438237
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Energy: 1.5708562888492694
Energy: 1.56778790494128
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Energy: 1.6002254839654988
Energy: 1.5617376755083863
Energy: 1.5689888984386355
Energy: 1.5265036829302745
Energy: 1.6002254839777856
Energy: 1.5617376755022425
Energy: 1.5689888984294762
Energy: 1.5997731706886114
Energy: 1.5889448952089738
Energy: 1.5367380591193494
Energy: 1.6001684418641309
Energy: 1.5997731706824678
Energy: 1.5889448952151168
Energy: 1.5367380591500108
Energy: 1.559754196050818
Energy: 1.570261618518159
Energy: 1.5528564959751339
Energy: 1.5829437691574653
Energy: 1.559754196066177
Energy: 1.5702616185120157
Energy: 1.552856495987421
Energy: 1.5274642029298486
Energy: 1.5863658729370531
Energy: 1.5438913447585247
Energy: 1.5835385016628079
Energy: 1.5274642029175618
Energy: 1.5863658729370531
Energy: 1.5438913447585247
Energy: 1.5849093748776686
Energy: 1.5847870856323427
Energy: 1.5507196417762028
Energy: 1.5837427172204226
Energy: 1.5849093748561662
Energy: 1.5847870856354143
Energy: 1.5507196417700593
Energy: 1.5277539138177
Energy: 1.5835125565299097
Energy: 1.5572456288856398
Energy: 1.575422890092544
Energy: 1.5277539138269156
Energy: 1.5835125565238222
Energy: 1.5572456288702812

minimum gb energy = 1.5028978749161075 eV
minimum distance =  2.26126250763391 Angstroms
sigma value = 401


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

Energy: 1.587122595946583
Energy: 1.6460270902642606
Energy: 1.5638037802489904
Energy: 1.6336854092391813
Energy: 1.5871225959392925
Energy: 1.6460270902558927
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Energy: 1.5836670954694865
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Energy: 1.5871225959503865
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Energy: 1.5489375209639984
Energy: 1.644655335817666
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Energy: 1.593161299845434
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Energy: 1.550910052486274
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Energy: 1.5509100524772084
Energy: 1.5826206616358907
Energy: 1.5797087411495956
Energy: 1.550806636533112
Energy: 1.5938334296732757
Energy: 1.5711904128923913
Energy: 1.5867386370066319
Energy: 1.550806636534887
Energy: 1.5938334296666825
Energy: 1.5711904128840228
Energy: 1.5500062248347173
Energy: 1.5933842329061438
Energy: 1.5750749266387039
Energy: 1.6432226961734144
Energy: 1.5500062248326885
Energy: 1.5933842328950498
Energy: 1.5750749266505584
Energy: 1.5489801730934571
Energy: 1.6285089756454567
Energy: 1.6778023464933491
Energy: 1.6429181204856567
Energy: 1.548980173095232
Energy: 1.6285089756496407
Energy: 1.677802346502795
Energy: 1.5488993014144594
Energy: 1.6407179448420932
Energy: 1.5769847408557722
Energy: 1.6427268787707519
Energy: 1.5488993014246026
Energy: 1.6407179448400013
Energy: 1.5769847408536803
Energy: 1.5504049592809321
Energy: 1.5993400681777068
Energy: 1.5651509590686978
Energy: 1.6444940858465473
Energy: 1.5504049592861302
Energy: 1.5993400681763121
Energy: 1.565150959073199
Energy: 1.5777801860647873
Energy: 1.6266102412455037
Energy: 1.5665502305197228
Energy: 1.6484265119784818
Energy: 1.5777801860678935
Energy: 1.6266102412430945
Energy: 1.5665502305137635
Energy: 1.591412630659301
Energy: 1.64602709026705
Energy: 1.5638037802420168
Energy: 1.633685409234997
Energy: 1.5914126306506158
Energy: 1.646027090258682
Energy: 1.563803780236755
Energy: 1.557761378283287
Energy: 1.6433139195878483
Energy: 1.5676370620400761
Energy: 1.6041244997227595
Energy: 1.5577613782711153
Energy: 1.6433139196014785
Energy: 1.5676370620459716

minimum gb energy = 1.5488993014144594 eV
minimum distance =  2.29625163907148 Angstroms
sigma value = 311


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

Energy: 1.7275266445555415
Energy: 1.6219621852459534
Energy: 1.6993839330530327
Energy: 1.6046720437096527
Energy: 1.7275266445555415
Energy: 1.6219621852483692
Energy: 1.7235929200476616
Energy: 1.6821888741888897
Energy: 1.5821136355682412
Energy: 1.6197085098681632
Energy: 1.6368785225589808
Energy: 1.6821888741905002
Energy: 1.5821136355694492
Energy: 1.6197085098705788
Energy: 1.6515228842620382
Energy: 1.5895324529088695
Energy: 1.6888956133099673
Energy: 1.608066138871114
Energy: 1.6515228842632461
Energy: 1.5895324529096746
Energy: 1.6896623919612028
Energy: 1.6016405296168785
Energy: 1.6010437999661122
Energy: 1.594766931687552
Energy: 1.5709183538137186
Energy: 1.601640529614463
Energy: 1.6010437999677227
Energy: 1.5947669316891624
Energy: 1.682138796379868
Energy: 1.609097421762743
Energy: 1.6803276802949325
Energy: 1.5539574663497016
Energy: 1.6821387963738283
Energy: 1.609097421763548
Energy: 1.6803276802981535
Energy: 1.6317554999270845
Energy: 1.598605698759881
Energy: 1.5880167694950273
Energy: 1.570748210543454
Energy: 1.6317554999274868
Energy: 1.5986056987610886
Energy: 1.588016769492612
Energy: 1.6692308849333575
Energy: 1.6030990413695316
Energy: 1.630177305367955
Energy: 1.6446119866364899
Energy: 1.669230884934968
Energy: 1.6030990413719475
Energy: 1.6128315173856804
Energy: 1.601586939179905
Energy: 1.6210250705230451
Energy: 1.6106454313643415
Energy: 1.6167472073958549
Energy: 1.6015869391815152
Energy: 1.6210250705190186
Energy: 1.6106454313635363
Energy: 1.6912881578861187
Energy: 1.6233883859938316
Energy: 1.5987652518044377
Energy: 1.6234760252031724
Energy: 1.691288157880885
Energy: 1.6233883860002736
Energy: 1.5987652517996065
Energy: 1.5951686856860594
Energy: 1.6464253870002
Energy: 1.6816069626747518
Energy: 1.6041089123185084
Energy: 1.595168685685254
Energy: 1.646425386998992
Energy: 1.6816069626662966
Energy: 1.6897501345854267
Energy: 1.6336823707291304
Energy: 1.6140595222974377
Energy: 1.5857863588041619
Energy: 1.6897501345874397
Energy: 1.6336823707275199
Energy: 1.6140595222982428
Energy: 1.6268702574675598
Energy: 1.6521935230060605
Energy: 1.6611961323803741
Energy: 1.658211942621061
Energy: 1.6268702574655467
Energy: 1.6521935230068658
Energy: 1.6611961323807771
Energy: 1.6589408312775666
Energy: 1.5779072632933626
Energy: 1.7101983218456545
Energy: 1.6295783806963953
Energy: 1.658940831279177
Energy: 1.5779072632937652
Energy: 1.710198321845252
Energy: 1.6495806456235873
Energy: 1.5905572450317422
Energy: 1.6833906963112881
Energy: 1.5874652683991557
Energy: 1.6495806456268083
Energy: 1.590557245030534
Energy: 1.683390696311691
Energy: 1.643530395133768
Energy: 1.6216467065199764
Energy: 1.662127696999721
Energy: 1.5711676399658652
Energy: 1.643530395134573
Energy: 1.621646706518769
Energy: 1.662127696999721
Energy: 1.6033368443357572
Energy: 1.6582918026516622
Energy: 1.657415086852347
Energy: 1.65061180403428
Energy: 1.603336844340991
Energy: 1.6582918026524673
Energy: 1.6574150868519444
Energy: 1.6452477324520498
Energy: 1.5990566296114632
Energy: 1.621797954089501
Energy: 1.6260405789739107
Energy: 1.6452477324536603
Energy: 1.5990566296074369
Energy: 1.6217979540903062
Energy: 1.6222338853679652
Energy: 1.6043054811087816
Energy: 1.736894916803082
Energy: 1.623772895886588
Energy: 1.6222338853603155
Energy: 1.6043054811116
Energy: 1.736894916801069
Energy: 1.6690818497640147
Energy: 1.6232676721717771
Energy: 1.5734542416016222
Energy: 1.616407628572955
Energy: 1.6690818497680409
Energy: 1.6232676721761692
Energy: 1.5734542415988035
Energy: 1.6015021087067827
Energy: 1.606752309032669
Energy: 1.6118500478700206
Energy: 1.620959333687671
Energy: 1.6015021087083932
Energy: 1.6067523090318638
Energy: 1.611850047871631
Energy: 1.6912337902610677
Energy: 1.6420378148540096
Energy: 1.6591016977752198
Energy: 1.603068210107596
Energy: 1.6912337902586516
Energy: 1.642037814851594
Energy: 1.6286303995724851
Energy: 1.6014419158390942
Energy: 1.607877922685263
Energy: 1.5766493946392273
Energy: 1.5854282189354099
Energy: 1.6014419158366786
Energy: 1.6078779226828472
Energy: 1.5766493946356404
Energy: 1.6624303315898512
Energy: 1.5539199289156485
Energy: 1.659537325505203
Energy: 1.6090371803058232
Energy: 1.6624303315890459
Energy: 1.553919928914038
Energy: 1.625126511930185
Energy: 1.6153198913600977
Energy: 1.5629554880025087
Energy: 1.6087361054626104
Energy: 1.6457890517423819
Energy: 1.6153198913617082
Energy: 1.5629554880065348
Energy: 1.6087361054622078
Energy: 1.6285657234575244
Energy: 1.5985030955948651
Energy: 1.6489687074098387
Energy: 1.6386715155078153
Energy: 1.6285657234551087
Energy: 1.5985030955892285
Energy: 1.6324993723881418
Energy: 1.6241445721285581
Energy: 1.6378728782218823
Energy: 1.6640333567997707
Energy: 1.5823708784250627
Energy: 1.6241445721313765
Energy: 1.6378728782234928
Energy: 1.6640333568009784
Energy: 1.6998288281972649
Energy: 1.6046780192989518
Energy: 1.7183776366530312
Energy: 1.6046831021774755
Energy: 1.6998288281988756
Energy: 1.6046780192985493
Energy: 1.728592534884653
Energy: 1.6618032299536691
Energy: 1.6158377109317896
Energy: 1.6277636225012262
Energy: 1.6177312081647115
Energy: 1.661803229950082
Energy: 1.6158377109309843
Energy: 1.6277636225028365
Energy: 1.6740290583174133
Energy: 1.6120251060953308
Energy: 1.690511781848478
Energy: 1.6011359273357897
Energy: 1.6740290583186213
Energy: 1.6120251060981494
Energy: 1.6905117818444517
Energy: 1.6151793875766827
Energy: 1.5912387991714672
Energy: 1.6059307356841626
Energy: 1.5628721756412436
Energy: 1.6151793875782932
Energy: 1.5912387991710641
Energy: 1.6059307356789285
Energy: 1.6894162162654485
Energy: 1.6090097321930341
Energy: 1.6998660489909236
Energy: 1.595144536504799
Energy: 1.6894162162706823
Energy: 1.6090097321906185
Energy: 1.6998660489889106
Energy: 1.6015402650804726
Energy: 1.6270550857914456
Energy: 1.6010797076606458
Energy: 1.5790835007627833
Energy: 1.60154026508007
Energy: 1.627055085787822
Energy: 1.6010797076598409
Energy: 1.6911019760152832
Energy: 1.62091241998085
Energy: 1.603362434431712
Energy: 1.6351058430006749
Energy: 1.691101976011257
Energy: 1.6209124199836684
Energy: 1.6180053204031015
Energy: 1.601588212037563
Energy: 1.6215155096080573
Energy: 1.6731388630390531
Energy: 1.5964913841107935
Energy: 1.6015882120371607
Energy: 1.6215155096100706
Energy: 1.673138863038248
Energy: 1.5930878365475007
Energy: 1.6163028804378305
Energy: 1.587690209097184
Energy: 1.5972812225747937
Energy: 1.5930878365475007
Energy: 1.6163028804382331
Energy: 1.5876902090955736
Energy: 1.6237511629806365
Energy: 1.6237361316480339
Energy: 1.733681375951058
Energy: 1.6042823101582255
Energy: 1.623751162977818
Energy: 1.6237361316464234
Energy: 1.733681375951058

minimum gb energy = 1.553919928914038 eV
minimum distance =  2.27696747860023 Angstroms
sigma value = 39


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

Energy: 1.6136604679568638
Energy: 1.6432704538599305
Energy: 1.6383944988427883
Energy: 1.6430628294911507
Energy: 1.613660467965892
Energy: 1.6432704538613558
Energy: 1.5942249069785102
Energy: 1.5971300733474574
Energy: 1.616628396098704
Energy: 1.466535001760379
Energy: 1.6167570048227062
Energy: 1.597130073359293
Energy: 1.6166283960977537
Energy: 1.4665350017698824
Energy: 1.6136757044386028
Energy: 1.5028341751807321
Energy: 1.5159931997976537
Energy: 1.644071672199639
Energy: 1.6136757044462053
Energy: 1.5028341751902354
Energy: 1.5159931998081073
Energy: 1.5960856188722479
Energy: 1.6184463105334
Energy: 1.4665376730303545
Energy: 1.5915242692904352
Energy: 1.5960856188708223
Energy: 1.6184463105376765
Energy: 1.4665376730260782
Energy: 1.6456615304633426
Energy: 1.6436484650558176
Energy: 1.5749288787433677
Energy: 1.6440619750198617
Energy: 1.645661530452457
Energy: 1.6436484650472647
Energy: 1.5749288787319635
Energy: 1.5964488905469814
Energy: 1.6171329972601831
Energy: 1.6608340255426697
Energy: 1.5928860865420453
Energy: 1.5964488905640442
Energy: 1.617132997254481
Energy: 1.6608340255322158
Energy: 1.7439396137315948
Energy: 1.643636242968133
Energy: 1.5992413167591097
Energy: 1.6439725155816634
Energy: 1.7439396137254177
Energy: 1.6436362429757356
Energy: 1.5992413167557835
Energy: 1.5957740075843343
Energy: 1.479816940850479
Energy: 1.5536643153318235
Energy: 1.4797204387832326
Energy: 1.5957740075919369
Energy: 1.4798169408514292
Energy: 1.5536643153265968
Energy: 1.7438587885787724
Energy: 1.6439900080028023
Energy: 1.5709745867668348
Energy: 1.6437081392117001
Energy: 1.743858788581148
Energy: 1.6439900080042273
Energy: 1.5709745867677851
Energy: 1.596209747756244
Energy: 1.5929311571848312
Energy: 1.660414124522955
Energy: 1.6170986839207722
Energy: 1.5962097477500667
Energy: 1.5929311571976175
Energy: 1.6604141245262811
Energy: 1.6457361228002039
Energy: 1.6442059710199022
Energy: 1.4987199713043375
Energy: 1.6436581323264805
Energy: 1.645736122797828
Energy: 1.644205971030831
Energy: 1.498305969807578
Energy: 1.5962862191868226
Energy: 1.5915391790390907
Energy: 1.4665242994417051
Energy: 1.6195915836079815
Energy: 1.5962862191777945
Energy: 1.5915391790438425
Energy: 1.466524299429869
Energy: 1.613666364290484
Energy: 1.6440579301410858
Energy: 1.5948488715633524
Energy: 1.5028280744526068
Energy: 1.613666364294285
Energy: 1.6440579301344336
Energy: 1.5948488715695295
Energy: 1.5971187350033762
Energy: 1.6167192962492116
Energy: 1.4666275677650753
Energy: 1.6165840049332667
Energy: 1.5971187350209572
Energy: 1.6167192962620414
Energy: 1.4666275677598486
Energy: 1.6136604679559134
Energy: 1.6432704538604057
Energy: 1.638394498845639
Energy: 1.6430628294930512
Energy: 1.613660467965892
Energy: 1.6432704538613558
Energy: 1.594224906978035
Energy: 1.5971300733493579
Energy: 1.616628396099179
Energy: 1.4665350017599037
Energy: 1.6167570048212807
Energy: 1.597130073361194
Energy: 1.6166283960972785
Energy: 1.4665350017698824
Energy: 1.6136757044367023
Energy: 1.5028341751816825
Energy: 1.5159931997943707
Energy: 1.6440716722015396
Energy: 1.6136757044419288
Energy: 1.502834175191661
Energy: 1.5159931998047813
Energy: 1.5960856188693968
Energy: 1.6184463105329248
Energy: 1.4665376730341557
Energy: 1.5915242692894849
Energy: 1.5960856188712975
Energy: 1.6184463105462294
Energy: 1.4665376730279787
Energy: 1.6456615304652433
Energy: 1.6436484650520164
Energy: 1.5749288787424174
Energy: 1.6440619750193866
Energy: 1.6456615304557831
Energy: 1.6436484650472647
Energy: 1.5749288787333893
Energy: 1.5964488905469814
Energy: 1.6171329972606583
Energy: 1.6608340255402938
Energy: 1.5928860865510734
Energy: 1.5964488905649945
Energy: 1.6171329972559065
Energy: 1.6608340255303151
Energy: 1.7439396137311196
Energy: 1.6436362429662323
Energy: 1.599241316751507
Energy: 1.6439725155816634
Energy: 1.743939613725893
Energy: 1.6436362429757356
Energy: 1.5992413167534076
Energy: 1.5957740075824338
Energy: 1.479816940850004
Energy: 1.5536643153308731
Energy: 1.4797204387808565
Energy: 1.5957740075909865
Energy: 1.4798169408523798
Energy: 1.5536643153280223
Energy: 1.7438587885787724
Energy: 1.6439900080032772
Energy: 1.57097458676731
Energy: 1.6437081392107502
Energy: 1.7438587885816232
Energy: 1.6439900080056529
Energy: 1.5709745867682603
Energy: 1.5962097477538684
Energy: 1.592931157190015
Energy: 1.6604141245253308
Energy: 1.6170986839226726
Energy: 1.5962097477505421
Energy: 1.592931157195717
Energy: 1.6604141245277066
Energy: 1.6457361228054306
Energy: 1.644205971017051
Energy: 1.4565835577322754
Energy: 1.6436581323241048
Energy: 1.6457361227973526
Energy: 1.6442059710265544
Energy: 1.456583557733701
Energy: 1.596286219187298
Energy: 1.591539179040041
Energy: 1.4665242994398044
Energy: 1.6195915836027548
Energy: 1.5962862191777945
Energy: 1.5915391790447928
Energy: 1.4665242994289187
Energy: 1.6136663642919093
Energy: 1.6440579301410858
Energy: 1.5948488715671538
Energy: 1.5028280744526068
Energy: 1.6136663642938098
Energy: 1.6440579301334832
Energy: 1.5948488715700047
Energy: 1.5971187350014755
Energy: 1.6167192962487364
Energy: 1.466627567764125
Energy: 1.6165840049318412
Energy: 1.5971187350204819
Energy: 1.6167192962620414
Energy: 1.4666275677593734
Energy: 1.6136604679559134
Energy: 1.6432704538589802
Energy: 1.5942249069785102
Energy: 1.6430628294911507
Energy: 1.6136604679654167
Energy: 1.643270453858505
Energy: 1.5942249069770846
Energy: 1.5971300733479326
Energy: 1.616628396099179
Energy: 1.4665350017594287
Energy: 1.616757004822231
Energy: 1.5971300733597682
Energy: 1.6166283960972785
Energy: 1.4665350017689318

minimum gb energy = 1.4565835577322754 eV
minimum distance =  2.29489282548605 Angstroms
sigma value = 21


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

Energy: 1.6925895404572495
Energy: 1.5820160433341317
Energy: 1.6242907021358441
Energy: 1.580881463333993
Energy: 1.6925895404549418
Energy: 1.5820160433335548
Energy: 1.624290702134114
Energy: 1.6815428400506267
Energy: 1.5758567956558704
Energy: 1.4209966635903264
Energy: 1.5759081284388798
Energy: 1.681542840052357
Energy: 1.5758567956576006
Energy: 1.4209966635955176
Energy: 1.6930708126370726
Energy: 1.550084345200918
Energy: 1.5302470875207324
Energy: 1.5899078977024894
Energy: 1.693070812636496
Energy: 1.5500843452049557
Energy: 1.530247087521309
Energy: 1.6879503682970245
Energy: 1.5852870869299323
Energy: 1.5085377363496595
Energy: 1.5757308827773078
Energy: 1.6879503682947175
Energy: 1.5852870869282019
Energy: 1.5085377363560044
Energy: 1.6000421586803606
Energy: 1.510120242117799
Energy: 1.565386129616034
Energy: 1.5094550741715822
Energy: 1.60004215867863
Energy: 1.510120242118376
Energy: 1.565386129620072
Energy: 1.6878621063558017
Energy: 1.5142388233332087
Energy: 1.7039028547721602
Energy: 1.5766957217117405
Energy: 1.6878621063598394
Energy: 1.5142388233274406
Energy: 1.7039028547721602
Energy: 1.6478356484576033
Energy: 1.509978403035068
Energy: 1.6158507851303074
Energy: 1.6129402986867456
Energy: 1.647835648455296
Energy: 1.509978403035645
Energy: 1.6158507851291535
Energy: 1.637762712341468
Energy: 1.587750537550834
Energy: 1.7038237515476102
Energy: 1.576804284462398
Energy: 1.6377627123420448
Energy: 1.5877505375462193
Energy: 1.70382375154588
Energy: 1.6483050165792545
Energy: 1.5766788684304982
Energy: 1.55813304332819
Energy: 1.6073538816581252
Energy: 1.648305016580985
Energy: 1.5766788684293447
Energy: 1.558133043331074
Energy: 1.647487881274324
Energy: 1.598574312098183
Energy: 1.4879158647860706
Energy: 1.5762366688037663
Energy: 1.6474878812754779
Energy: 1.598574312098183
Energy: 1.4879158647797517
Energy: 1.7140505582115289
Energy: 1.5890380164638966
Energy: 1.6264154007721803
Energy: 1.5865207018208385
Energy: 1.7140505582126826
Energy: 1.5890380164650502
Energy: 1.6264154007710268
Energy: 1.5060188786713407
Energy: 1.598214663251828
Energy: 1.509113556250274
Energy: 1.5071932870317657
Energy: 1.5060188786719173
Energy: 1.5982146632535583
Energy: 1.5091135562520042
Energy: 1.7073216784659222
Energy: 1.5881678721321568
Energy: 1.6318272163400216
Energy: 1.5749853581750177
Energy: 1.7073216784641918
Energy: 1.5881678721310029
Energy: 1.6318272163382912
Energy: 1.5060454624417108
Energy: 1.5978826623530884
Energy: 1.588120653965296
Energy: 1.5081305822704243
Energy: 1.5060454624405568
Energy: 1.5978826623450126
Energy: 1.5881206539658725
Energy: 1.6857914315151037
Energy: 1.5293787699443955
Energy: 1.5085195140479382
Energy: 1.5758373467036944
Energy: 1.6857914315214486
Energy: 1.5293787699518941
Energy: 1.5085195140439003
Energy: 1.506626176576453
Energy: 1.6408906010164355
Energy: 1.570107701101713
Energy: 1.5932532323540838
Energy: 1.5066261765839515
Energy: 1.6408906010129747
Energy: 1.5701077010959448
Energy: 1.6859334866395792
Energy: 1.5292729600917312
Energy: 1.6689003188160816
Energy: 1.575824337756135
Energy: 1.685933486640156
Energy: 1.52927296008945
Energy: 1.6689003188230034
Energy: 1.5066998871913622
Energy: 1.5961995173897627
Energy: 1.568210333922284
Energy: 1.7145628252226546
Energy: 1.5066998871930926
Energy: 1.5961995173926466
Energy: 1.5682103339228608
Energy: 1.6930266339579234
Energy: 1.5292071393197209
Energy: 1.7140087315780566
Energy: 1.575762524103578
Energy: 1.6930266339579234
Energy: 1.5292071393185673
Energy: 1.7140087315809407
Energy: 1.5065602539263434
Energy: 1.6687948072003458
Energy: 1.549895179151949
Energy: 1.6688028984447363
Energy: 1.5065602539292278
Energy: 1.6687948071974616
Energy: 1.5498951791484883
Energy: 1.6929936980618714
Energy: 1.5757186408684463
Energy: 1.705957719244133
Energy: 1.529334759802859
Energy: 1.6929936980630254
Energy: 1.5757186408690234
Energy: 1.7059577192435562
Energy: 1.506697010735096
Energy: 1.7147013239441804
Energy: 1.5687351912052403
Energy: 1.5962253031988896
Energy: 1.5066970107374034
Energy: 1.7147013239447573
Energy: 1.5687351912023562
Energy: 1.6857865588938972
Energy: 1.5759157257050298
Energy: 1.6688889243686735
Energy: 1.5292303358382342
Energy: 1.6857865588979348
Energy: 1.575915725704453
Energy: 1.6688889243611749
Energy: 1.506725153299183
Energy: 1.5933944035923255
Energy: 1.5701993965893213
Energy: 1.641031990310933
Energy: 1.5067251533020674
Energy: 1.5933944035952095
Energy: 1.5701993965922054
Energy: 1.6856376077997652
Energy: 1.5757853501940489
Energy: 1.427821031499476
Energy: 1.5292459747678089
Energy: 1.685637607800342
Energy: 1.5757853501940489
Energy: 1.427821031495438

minimum gb energy = 1.4209966635903264 eV
minimum distance =  2.33197631043794 Angstroms
sigma value = 113


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

Energy: 1.4866132278425175
Energy: 1.5680352998670009
Energy: 1.450693748122255
Energy: 1.5680094271993836
Energy: 1.4866132278425175
Energy: 1.5680352998605624
Energy: 1.450693748109378
Energy: 1.6348609116772201
Energy: 1.5748394299024602
Energy: 1.4277888873956046
Energy: 1.5330278494243492
Energy: 1.634860911664343
Energy: 1.5748394299088986
Energy: 1.4277888873923852
Energy: 1.4865570800092531
Energy: 1.466935695078579
Energy: 1.4507252701187494
Energy: 1.5400176233787435
Energy: 1.4865570800124726
Energy: 1.466935695104333
Energy: 1.4507252701348459
Energy: 1.448521276026519
Energy: 1.5331069864407953
Energy: 1.4338243247618228
Energy: 1.5337643845219895
Energy: 1.4485212760232997
Energy: 1.5331069864633304
Energy: 1.4338243247553843
Energy: 1.4669065297324293
Energy: 1.4530899936840824
Energy: 1.4512000040703883
Energy: 1.441839425391061
Energy: 1.4669065297420871
Energy: 1.4530899936840824
Energy: 1.4512000040864845
Energy: 1.448395229438093
Energy: 1.440296834059719
Energy: 1.5109932076948995
Energy: 1.4792849164971262
Energy: 1.4483952294220555
Energy: 1.4402968340340234
Energy: 1.5109932076980603
Energy: 1.4529383526951332
Energy: 1.4532501595905465
Energy: 1.4086528155113471
Energy: 1.4575662201726258
Energy: 1.4529383526919142
Energy: 1.453250159600204
Energy: 1.4086528154953095
Energy: 1.4591743306872256
Energy: 1.4930552388299363
Energy: 1.4980818735696222
Energy: 1.4910418621173602
Energy: 1.459174330696883
Energy: 1.4930552388202787
Energy: 1.4980818735728414
Energy: 1.4528136966354896
Energy: 1.4689695135121488
Energy: 1.5750493925650324
Energy: 1.4471775123767328
Energy: 1.4528136966290512
Energy: 1.4689695134993301
Energy: 1.5750493925682516
Energy: 1.4482655314197228
Energy: 1.4931420228407672
Energy: 1.510287618211289
Energy: 1.5104555230425138
Energy: 1.448265531445477
Energy: 1.4931420228375478
Energy: 1.510287618198412
Energy: 1.4526590457800574
Energy: 1.497535268457347
Energy: 1.5230411087290416
Energy: 1.4475422060453635
Energy: 1.4526590457768382
Energy: 1.497535268457347
Energy: 1.5230411087258222
Energy: 1.4480917299635314
Energy: 1.4736081927876499
Energy: 1.4709286654894793
Energy: 1.4910948932505104
Energy: 1.4480917299538736
Energy: 1.4736081927715534
Energy: 1.4709286654766025
Energy: 1.452862095967799
Energy: 1.4327412898886922
Energy: 1.5230806020574141
Energy: 1.4746284779106817
Energy: 1.4528620959517027
Energy: 1.4327412899080076
Energy: 1.5230806020541947
Energy: 1.4912576623633884
Energy: 1.5496875505362178
Energy: 1.502712998389264
Energy: 1.4959647598559136
Energy: 1.491257662360169
Energy: 1.54968755052656
Energy: 1.5027129983828256
Energy: 1.4529808718745059
Energy: 1.5189145467673444
Energy: 1.5391160292220563
Energy: 1.5302367594603548
Energy: 1.4529808718294361
Energy: 1.5189145467705636
Energy: 1.5391160292252757
Energy: 1.4911418798268428
Energy: 1.4737112010146765
Energy: 1.487340255334053
Energy: 1.4740056616821708
Energy: 1.4911418798397198
Energy: 1.4737112010050186
Energy: 1.4873402553726844
Energy: 1.4896303542925662
Energy: 1.4329256232846046
Energy: 1.5731705550215471
Energy: 1.4744527281786182
Energy: 1.4896303542925662
Energy: 1.4329256232974816
Energy: 1.573170555040863
Energy: 1.447621560916397
Energy: 1.4731565709974856
Energy: 1.4876025610291217
Energy: 1.4417240974290366
Energy: 1.4476215609196164
Energy: 1.4731565710168009
Energy: 1.487602561038721
Energy: 1.4895590013695355
Energy: 1.472999285967386
Energy: 1.4899681637369833
Energy: 1.4878979869693467
Energy: 1.4895590013630968
Energy: 1.4729992859641667
Energy: 1.4899681637402025
Energy: 1.4462504753231153
Energy: 1.4726855109797248
Energy: 1.5000362035367385
Energy: 1.4722211470777602
Energy: 1.4462504753231153
Energy: 1.4726855109668475
Energy: 1.5000362035367385
Energy: 1.4853415489435433
Energy: 1.4682088041097048
Energy: 1.4565939724865593
Energy: 1.454642001449728
Energy: 1.485341548966078
Energy: 1.4682088041032664
Energy: 1.4565939724897785
Energy: 1.4462026934512378
Energy: 1.470712920464693
Energy: 1.4713269494627337
Energy: 1.4711520390478172
Energy: 1.4462026934415801
Energy: 1.4707129204485965
Energy: 1.4713269494981458
Energy: 1.485666879065449
Energy: 1.4701733988051566
Energy: 1.5786299016268122
Energy: 1.480373883657806
Energy: 1.4856668790815455
Energy: 1.4701733988115953
Energy: 1.5786299016010579
Energy: 1.4484881763320232
Energy: 1.4602164241515643
Energy: 1.5198202672732415
Energy: 1.4712825971416086
Energy: 1.448488176328804
Energy: 1.4602164241483453
Energy: 1.5198202672474876
Energy: 1.4857291284900371
Energy: 1.5593869016675606
Energy: 1.5536719477402534
Energy: 1.5335586675452308
Energy: 1.4857291284803793
Energy: 1.5593869016675606
Energy: 1.5536719477563499
Energy: 1.4770408804271284
Energy: 1.4711875297550676
Energy: 1.5744575428094418
Energy: 1.4312473745042766
Energy: 1.4770408804367863
Energy: 1.471187529774383
Energy: 1.5744575428190997
Energy: 1.6970551308259636
Energy: 1.559521009819934
Energy: 1.4812245247959315
Energy: 1.574604625381872
Energy: 1.6970551308099255
Energy: 1.559521009800618
Energy: 1.4812245247959315
Energy: 1.4772970907155454
Energy: 1.4941878677213098
Energy: 1.5414862808280285
Energy: 1.543060649297825
Energy: 1.4772970906962295
Energy: 1.4941878677213098
Energy: 1.5414862808344671
Energy: 1.6971083060505006
Energy: 1.5595979538089235
Energy: 1.447626980050317
Energy: 1.5745992742922776
Energy: 1.697108306040843
Energy: 1.559597953799266
Energy: 1.4476269800470978
Energy: 1.47688011913776
Energy: 1.4703178329567457
Energy: 1.558761889547737
Energy: 1.4299908749444212
Energy: 1.4768801191281027
Energy: 1.4703178329567457
Energy: 1.558761889557395
Energy: 1.4882634051822654
Energy: 1.5601107354555652
Energy: 1.5173643357730995
Energy: 1.5743614543271611
Energy: 1.4882634051726076
Energy: 1.5601107354426882
Energy: 1.5173643357698803
Energy: 1.476791742959045
Energy: 1.4590327084530532
Energy: 1.470006697907812
Energy: 1.462962677903902
Energy: 1.4767917429558257
Energy: 1.4590327084466148
Energy: 1.4700066979174697
Energy: 1.4881797027681818
Energy: 1.4680272658002602
Energy: 1.5168887667446094
Energy: 1.4730136459221534
Energy: 1.4881797027714012
Energy: 1.4680272657906024
Energy: 1.5168887667285131
Energy: 1.5107621076736248
Energy: 1.4589643730887287
Energy: 1.5323812612626362
Energy: 1.465011801747306
Energy: 1.5107621076736248
Energy: 1.4589643730983866
Energy: 1.5323812612626362
Energy: 1.5108725337789413
Energy: 1.4619545080506633
Energy: 1.471391563517809
Energy: 1.4718570139412908
Energy: 1.5108725337596256
Energy: 1.4619545080506633
Energy: 1.4713915635017125
Energy: 1.5105913249216116
Energy: 1.4696372035929886
Energy: 1.5326765859827463
Energy: 1.496411049659881
Energy: 1.5105913249216116
Energy: 1.4696372036155236
Energy: 1.5326765859859657
Energy: 1.5104374404576038
Energy: 1.4712424928970969
Energy: 1.4489877310254218
Energy: 1.4802982556991782
Energy: 1.5104374404769196
Energy: 1.471242492906755
Energy: 1.4489877310222026
Energy: 1.5106619630882596
Energy: 1.4683155745704772
Energy: 1.5045948783193455
Energy: 1.4973159151344149
Energy: 1.5106619630625642
Energy: 1.4683155745608192
Energy: 1.5045948783225647
Energy: 1.510207567572372
Energy: 1.5691094617335204
Energy: 1.5390262475396022
Energy: 1.4679141349845344
Energy: 1.5102075675788105
Energy: 1.5691094617239212
Energy: 1.5390262475556984
Energy: 1.5083918593483154
Energy: 1.5193097444056822
Energy: 1.5102271489758556
Energy: 1.4676072376677867
Energy: 1.508391859377289
Energy: 1.5193097444056822
Energy: 1.5102271489790748
Energy: 1.6130655495108916
Energy: 1.4684099159518293
Energy: 1.508533009097511
Energy: 1.4681928503105777
Energy: 1.613065549526988
Energy: 1.4684099159679251
Energy: 1.5085330091136075
Energy: 1.5087663003523522
Energy: 1.4398931596822397
Energy: 1.5076717505105464
Energy: 1.4622181221321007
Energy: 1.5087663003394753
Energy: 1.4398931596790203
Energy: 1.5076717505202044
Energy: 1.5307292602004057
Energy: 1.469122182294836
Energy: 1.477749237168495
Energy: 1.4682505416806084
Energy: 1.5307292602004057
Energy: 1.469122182275579
Energy: 1.4777492371588377
Energy: 1.504819634893819
Energy: 1.490726445501414
Energy: 1.5152966039603
Energy: 1.4725715162433146
Energy: 1.5048196348873806
Energy: 1.4907264455078526
Energy: 1.5152966039635192
Energy: 1.4449521901501288
Energy: 1.4718936369590947
Energy: 1.4762944525334545
Energy: 1.4766617118329146
Energy: 1.4449521901726636
Energy: 1.4718936369526558
Energy: 1.4762944525270159

minimum gb energy = 1.4086528154953095 eV
minimum distance =  2.29306307954562 Angstroms
sigma value = 365


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

Energy: 1.3921654240105052
Energy: 1.1909052565935707
Energy: 1.5039429449487267
Energy: 1.1909052565979257
Energy: 1.3921654240105052
Energy: 1.1909052565979257
Energy: 1.3957164018087298
Energy: 1.3921654240097794
Energy: 1.1909052565971998
Energy: 1.5552218566835943
Energy: 1.1909052565913933
Energy: 1.3921654240105052
Energy: 1.1909052565942964
Energy: 1.3957164018087298
Energy: 1.392165424007635
Energy: 1.1909052565950224
Energy: 1.495557708252696
Energy: 1.190905256595748
Energy: 1.3921654240148602
Energy: 1.190905256592119
Energy: 1.3957164018058261
Energy: 1.3921654240083607
Energy: 1.1909052565935707
Energy: 1.5039429449501784
Energy: 1.1909052565986515
Energy: 1.392165424011231
Energy: 1.1909052565979257
Energy: 1.3957164018101813
Energy: 1.392165424007635
Energy: 1.190905256596474
Energy: 1.34818168640246
Energy: 1.1909052565913933
Energy: 1.3921654240105052
Energy: 1.190905256595748
Energy: 1.3957164018072779
Energy: 1.3921654240090868
Energy: 1.1909052565935707
Energy: 1.5309988558250884
Energy: 1.1909052565942964
Energy: 1.392165424011231
Energy: 1.1909052565913933
Energy: 1.395716401802923
Energy: 1.3921654240054573
Energy: 1.1909052565942964
Energy: 1.5039429449494524
Energy: 1.1909052565986515
Energy: 1.3921654240097794
Energy: 1.1909052565979257
Energy: 1.3957164018072779
Energy: 1.3921654240083607
Energy: 1.1909052565979257
Energy: 1.5552218566835943
Energy: 1.1909052565913933
Energy: 1.3921654240083607
Energy: 1.1909052565950224
Energy: 1.3957164018080037
Energy: 1.3921654240083607
Energy: 1.1909052565950224
Energy: 1.4936671205760186
Energy: 1.190905256595748
Energy: 1.392165424011231
Energy: 1.190905256592119
Energy: 1.3957164018036488
Energy: 1.3921654240018282
Energy: 1.1909052565935707
Energy: 1.503942944946549
Energy: 1.1909052565986515
Energy: 1.392165424007635
Energy: 1.1909052565979257
Energy: 1.395716401810907
Energy: 1.3921654240047319
Energy: 1.190905256596474
Energy: 1.3957164018014712
Energy: 1.1909052565913933
Energy: 1.3921654240105052
Energy: 1.190905256596474
Energy: 1.3957164018072779
Energy: 1.3921654240054573
Energy: 1.190905256592845
Energy: 1.3957164018058261
Energy: 1.1909052565942964
Energy: 1.3921654240097794
Energy: 1.190905256592119
Energy: 1.3957164018021972
Energy: 1.3921654240047319
Energy: 1.1909052565942964
Energy: 1.3957164018080037
Energy: 1.1909052565979257
Energy: 1.3921654240061834
Energy: 1.1909052565979257
Energy: 1.3957164018080037
Energy: 1.3921654240083607
Energy: 1.1909052565971998
Energy: 1.3957164018036488
Energy: 1.1909052565913933
Energy: 1.3921654240134085
Energy: 1.190905256595748
Energy: 1.3957164018101813
Energy: 1.3921654240054573
Energy: 1.1909052565950224
Energy: 1.395716401806552
Energy: 1.190905256595748
Energy: 1.392165424011231
Energy: 1.190905256592119
Energy: 1.3957164018036488
Energy: 1.3921654240018282
Energy: 1.1909052565935707
Energy: 1.395716401810907
Energy: 1.1909052565979257
Energy: 1.3921654240061834
Energy: 1.1909052565986515
Energy: 1.395716401810907
Energy: 1.3921654240083607
Energy: 1.1909052565979257
Energy: 1.395716401802923
Energy: 1.1909052565913933
Energy: 1.3921654240090868
Energy: 1.1909052565971998
Energy: 1.3957164018101813
Energy: 1.392165424007635
Energy: 1.1909052565935707
Energy: 1.3957164018080037
Energy: 1.1909052565950224
Energy: 1.392165424011231
Energy: 1.190905256592119
Energy: 1.3957164018036488
Energy: 1.3921654240040058
Energy: 1.1909052565942964
Energy: 1.3957164018101813
Energy: 1.1909052565979257
Energy: 1.3921654240097794
Energy: 1.1909052565986515
Energy: 1.3957164018080037
Energy: 1.392165424007635
Energy: 1.1909052565986515
Energy: 1.3957164018021972
Energy: 1.1909052565906675
Energy: 1.3921654240126826
Energy: 1.1909052565950224
Energy: 1.3957164018101813

minimum gb energy = 1.1909052565906675 eV
minimum distance =  2.40633449666336 Angstroms
sigma value = 23