Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.646125234663486
cohesive_energy=3.9070925642619274
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7494807537299598e-19, 2.47102100085186e-19, 3.02252224180734e-19, 3.46993006685184e-19, 3.85589441798244e-19, 4.1870162629312195e-19, 4.474078250445e-19, 4.72454652363822e-19, 4.94382041776746e-19, 5.1433074304668e-19, 5.32310369233428e-19, 5.4817672443993e-19, 5.621380916286059e-19, 5.743594949927579e-19, 5.849835282528119e-19, 5.941335590095859e-19, 6.01908922214388e-19, 6.085691704819259e-19, 6.140918733393239e-19, 6.184850416697519e-19, 6.218143647152039e-19, 6.24132714304602e-19, 6.25492962266868e-19, 6.25936765194486e-19, 6.254577143809199e-19, 6.23906807399208e-19, 6.210837721700999e-19, 6.17696770765824e-19, 6.129206822198699e-19, 6.0616750770756e-19, 5.97049520483466e-19, 5.85089271910656e-19, 5.697003653410859e-19, 5.5016342346609e-19, 5.25709401501348e-19, 4.951927431535499e-19, 4.571170154465399e-19, 4.0967496313716594e-19, 3.5053221486969e-19, 2.7830609220897e-19, 1.8777510150479997e-19, 7.35538464373158e-20, -7.05073075677648e-20, -2.5471404127332e-19, -4.92832736971668e-19, -8.0443686616506e-19, -1.219370173015014e-18, -1.7822933311942798e-18, -2.56272959138202e-18, -3.68739350138466e-18, -5.3720181449703e-18, -8.03422688355738e-18, -1.2560808462298558e-17, -2.1167156600091e-17]
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: 0.01481181242221074
Energy: 0.015440415369690602
Energy: 1.4148781336524388
Energy: 0.1759404573118644
Energy: 0.01544041536907405
Energy: 1.6084785325318431
Energy: 0.17594045731066554
Energy: 1.608478532530028
Energy: 1.4148781336524388
Energy: 0.17594045731124786
Energy: 0.01481181242221074
Energy: 0.01544041536907405
Energy: 0.1759404573094667
Energy: 1.608478532526397
Energy: 0.015440415369690602
Energy: 1.6084785325282123

minimum gb energy = 0.01481181242221074 eV
minimum distance =  2.49676841684886 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 2.5082119611673175
Energy: 1.4099672124427252
Energy: 1.4889949115390206
Energy: 1.4883463771217047
Energy: 1.557371369531595
Energy: 1.5520048936869633
Energy: 1.4837998350464436
Energy: 1.5520048936869633
Energy: 1.4823650242310704
Energy: 1.482280663809011
Energy: 1.492431039889093
Energy: 1.4822806638097585
Energy: 1.4829338848360618
Energy: 1.5010945595662089
Energy: 1.483708734270035
Energy: 1.5010945595677043
Energy: 1.561123304033579
Energy: 1.4983136760848115
Energy: 1.4842584291716223
Energy: 1.498313676085559
Energy: 1.4802392752764713
Energy: 1.6522310905983908
Energy: 1.4913266837260726
Energy: 1.6522310905737492
Energy: 1.4813185598732745
Energy: 1.6535317241176433
Energy: 1.564789495780948
Energy: 1.6535317241176433
Energy: 1.5691767427732195
Energy: 1.7238518737954782
Energy: 1.492979523852645
Energy: 1.7238518737954782
Energy: 1.4929880846725088
Energy: 1.7213276439520524
Energy: 1.483848626714585
Energy: 1.7213276439535479
Energy: 1.5700254234921829
Energy: 1.7195883623543031
Energy: 1.5708596674264297
Energy: 1.719588362355051
Energy: 1.5568312918340286
Energy: 1.7204236046734869
Energy: 1.4846068597524027
Energy: 1.7204236046749823
Energy: 1.5714068153213119
Energy: 1.7187415633489995
Energy: 1.4927366968603901
Energy: 1.7187415633489995
Energy: 1.481103092378068
Energy: 1.6651984112330398
Energy: 1.5660198524104663
Energy: 1.6651984112330398
Energy: 1.4808779707057378
Energy: 1.6660300071086378
Energy: 1.5621568929815475
Energy: 1.6660300071108813
Energy: 1.5668730188822138
Energy: 1.4880170057131719
Energy: 1.4862096316464284
Energy: 1.4880170057146673
Energy: 1.4037490440147036
Energy: 1.5046998560606621
Energy: 1.4834691903202537
Energy: 1.5046998560606621
Energy: 1.4819561168536244
Energy: 1.4803569565587122
Energy: 1.4033702825955785
Energy: 1.4803569565587122
Energy: 1.483592968548908
Energy: 1.4883685192543101
Energy: 1.5588738070751191
Energy: 1.4883685192550578
Energy: 1.4922554115650568
Energy: 1.486414734016518
Energy: 1.4864350507336295
Energy: 1.486414734016518
Energy: 1.4861817405376188
Energy: 1.4865493336309317
Energy: 1.4810467665214933
Energy: 1.486549333630184
Energy: 1.4851079030580197
Energy: 1.4834116558198318
Energy: 1.5609347007836438
Energy: 1.4834116558190842
Energy: 1.4840808694121224
Energy: 1.4870177972857253
Energy: 1.4806020169403606
Energy: 1.4870177972849776
Energy: 1.5648838211475096
Energy: 1.6522047593881477
Energy: 1.4800596475752705
Energy: 1.6522047593888953
Energy: 1.4908840105346792
Energy: 1.6482024810565907
Energy: 1.4818510814622559
Energy: 1.6482024810558429
Energy: 1.4833269744505746
Energy: 1.7213516310606873
Energy: 1.4923413284557698
Energy: 1.7213516310621828
Energy: 1.4860368238655712
Energy: 1.7183966538644593
Energy: 1.5718589931665508
Energy: 1.7183966538667022
Energy: 1.4949227824624995
Energy: 1.7204006919850268
Energy: 1.5569377346971522
Energy: 1.720400691983531
Energy: 1.4931351026699384
Energy: 1.7188192694448643
Energy: 1.564185899076634
Energy: 1.7188192694441167
Energy: 1.5665062026204553
Energy: 1.6656051663477351
Energy: 1.4805586050991135
Energy: 1.6656051663484825
Energy: 1.567419245701523
Energy: 1.6527223685303338
Energy: 1.481368305139097
Energy: 1.6527223685318293
Energy: 1.4973000967758545
Energy: 1.4877297038254105
Energy: 1.567007380657431
Energy: 1.4877297038134465
Energy: 1.4837326564679947
Energy: 1.487431176212648
Energy: 1.404115986874821
Energy: 1.487431176213396
Energy: 1.4032123264944447
Energy: 1.480232194444944
Energy: 1.4814455886774578
Energy: 1.480232194444944

minimum gb energy = 1.4032123264944447 eV
minimum distance =  2.31179635843188 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.7838068813244305
Energy: 1.5033443141194824
Energy: 1.5945248882015493
Energy: 1.5922357251670365
Energy: 1.6735978068521304
Energy: 1.6576792734764159
Energy: 1.5906386264839105
Energy: 1.6576792734772685
Energy: 1.5851877676879362
Energy: 1.5846995743776497
Energy: 1.5986890325325003
Energy: 1.584699574379355
Energy: 1.5841788501850496
Energy: 1.5882522707125417
Energy: 1.5906827929517526
Energy: 1.5882522707185094
Energy: 1.5975753540913344
Energy: 1.592533924301078
Energy: 1.5902498423206504
Energy: 1.5925339243019305
Energy: 1.5879632793135061
Energy: 1.8075455235010716
Energy: 1.5972629589938416
Energy: 1.807545523498514
Energy: 1.5859234578648145
Energy: 1.782206591971688
Energy: 1.5997337379741552
Energy: 1.7822065919708356
Energy: 1.5862351553808745
Energy: 1.7808697359057297
Energy: 1.598669477304082
Energy: 1.7808697359065822
Energy: 1.5986309863667776
Energy: 1.8417084578531568
Energy: 1.4963480288852078
Energy: 1.841708457856567
Energy: 1.5984618671619677
Energy: 1.8407623932074677
Energy: 1.6842364672141672
Energy: 1.8407623932091732
Energy: 1.6797871808015883
Energy: 1.7983616203679982
Energy: 1.5856105813315309
Energy: 1.7983616203705557
Energy: 1.6766944736120326
Energy: 1.7810812849978916
Energy: 1.5848241706189683
Energy: 1.7810812849944815
Energy: 1.591206534147697
Energy: 1.608632179158227
Energy: 1.6802229860517552
Energy: 1.6086321791590796
Energy: 1.5906234385551197
Energy: 1.5868450513406713
Energy: 1.495928983354383
Energy: 1.586845051341524
Energy: 1.4961479637028614
Energy: 1.58343046086604
Energy: 1.5855226183407019
Energy: 1.5834304608668923
Energy: 1.6752631983317265
Energy: 1.5914043256176273
Energy: 1.590802560661436
Energy: 1.591404325619294
Energy: 1.5917407915502129
Energy: 1.583735830748812
Energy: 1.5984465221497408
Energy: 1.5837358307505172
Energy: 1.5834210731396423
Energy: 1.5935190819798704
Energy: 1.5913879727626425
Energy: 1.5935190819773124
Energy: 1.5962648113407851
Energy: 1.588143453029667
Energy: 1.5911961275830104
Energy: 1.5881434530356349
Energy: 1.5889600730967652
Energy: 1.587456846011446
Energy: 1.5903331566255254
Energy: 1.587456846021677
Energy: 1.585197949686884
Energy: 1.7811434953232015
Energy: 1.5975713138900083
Energy: 1.7811434953257592
Energy: 1.5864654591052576
Energy: 1.7824938765067107
Energy: 1.596184440036247
Energy: 1.782493876510121
Energy: 1.5964339438113442
Energy: 1.8418770255494796
Energy: 1.4966385397275228
Energy: 1.8418770255486272
Energy: 1.597687137783491
Energy: 1.840331520231401
Energy: 1.5977909677826685
Energy: 1.840331520233106
Energy: 1.679861054923899
Energy: 1.7981958364067532
Energy: 1.5857398188780578
Energy: 1.7981958364076056
Energy: 1.6803621835453089
Energy: 1.7815740630582166
Energy: 1.585203139373885
Energy: 1.781574063057364
Energy: 1.6070263345162312
Energy: 1.5922493950382324
Energy: 1.6807101128406923
Energy: 1.5922493950356749
Energy: 1.5906626260340802
Energy: 1.592982816514209
Energy: 1.4957101062753915
Energy: 1.5929828165107989
Energy: 1.4956928101094666
Energy: 1.5831937960959583
Energy: 1.5831856422776365
Energy: 1.5831937961010736

minimum gb energy = 1.4956928101094666 eV
minimum distance =  2.31337526901116 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.9003505900605964
Energy: 1.6150039005759447
Energy: 1.7162227766662514
Energy: 1.7156151642268314
Energy: 1.708018705784726
Energy: 1.7786013581838318
Energy: 1.7146332619532576
Energy: 1.7786013581838318
Energy: 1.7051747729930038
Energy: 1.705551968074819
Energy: 1.631498079964985
Energy: 1.70555196807581
Energy: 1.7042707118938476
Energy: 1.8068815957017061
Energy: 1.6312324199264845
Energy: 1.8068815957007152
Energy: 1.630845202994491
Energy: 1.7403212552780154
Energy: 1.715223822615756
Energy: 1.7403212552790064
Energy: 1.607609535913911
Energy: 1.9590823328372342
Energy: 1.630491884513011
Energy: 1.9590823328382252
Energy: 1.7084341547918591
Energy: 1.9706477722390294
Energy: 1.7067105347197682
Energy: 1.9706477722380384
Energy: 1.7091407515243626
Energy: 1.9277243823667511
Energy: 1.6312326222871727
Energy: 1.9277243823667511
Energy: 1.7085597529715346
Energy: 1.9680889994831086
Energy: 1.6055316913820228
Energy: 1.9680889994831086
Energy: 1.607297170009508
Energy: 1.9719269812180402
Energy: 1.6309320140620431
Energy: 1.9719269812190312
Energy: 1.603221983942353
Energy: 1.7392487345905516
Energy: 1.7170560940227577
Energy: 1.7392487345915426
Energy: 1.6030870270717217
Energy: 1.7164862594111294
Energy: 1.6311624499267765
Energy: 1.7164862594131116
Energy: 1.7033899294677783
Energy: 1.7036107622042929
Energy: 1.603491326121435
Energy: 1.7036107622042929
Energy: 1.7140672628408589
Energy: 1.6078436599157302
Energy: 1.7087424555328565
Energy: 1.607843659922668
Energy: 1.6313489917169546
Energy: 1.703591767699732
Energy: 1.7145788648674185
Energy: 1.703591767699732
Energy: 1.7174364428532094
Energy: 1.6082394183801183
Energy: 1.703706787168598
Energy: 1.6082394183781363
Energy: 1.7167485817660295
Energy: 1.7073387365813462
Energy: 1.6318966048727148
Energy: 1.7073387365902208
Energy: 1.7171913382721278
Energy: 1.7084599605156376
Energy: 1.6070591920725084
Energy: 1.7084599605156376
Energy: 1.7069667269781919
Energy: 1.9572530198030202
Energy: 1.707871030881847
Energy: 1.957253019802029
Energy: 1.6321335080517183
Energy: 1.9678052302941924
Energy: 1.7079156644958442
Energy: 1.9678052302941924
Energy: 1.6032010245563797
Energy: 1.9678714610940875
Energy: 1.7084626580808093
Energy: 1.9678714610940875
Energy: 1.603072047939445
Energy: 1.9689887915428497
Energy: 1.7088398681807797
Energy: 1.9689887915428497
Energy: 1.7161916202306344
Energy: 1.7407565368319255
Energy: 1.6030239501044352
Energy: 1.7407565368309346
Energy: 1.7211752599284442
Energy: 1.7156808455436736
Energy: 1.603042825360325
Energy: 1.7156808455436736
Energy: 1.6031728254407498
Energy: 1.7032740375235345
Energy: 1.7040346209163215
Energy: 1.7032740375245259

minimum gb energy = 1.6030239501044352 eV
minimum distance =  2.31643046356663 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 2.5346024606880198
Energy: 1.7402129282097674
Energy: 1.8580394866957297
Energy: 1.840348219158299
Energy: 1.9620216144675358
Energy: 1.9146887013201204
Energy: 1.8577391750141
Energy: 1.9146887013201204
Energy: 1.8398492252432201
Energy: 1.841680425967299
Energy: 1.8581796581501917
Energy: 1.8416804259684814
Energy: 1.8400157054948612
Energy: 1.9164756568333234
Energy: 1.8631004873582977
Energy: 1.916475656830959
Energy: 1.8581283473450112
Energy: 1.8994634496892444
Energy: 1.8617158748237725
Energy: 1.8994634496904266
Energy: 1.8461382920861136
Energy: 1.845457525507514
Energy: 1.863782542643232
Energy: 1.8454575255098784
Energy: 1.963338133740068
Energy: 2.1371762307827695
Energy: 1.8630292823056323
Energy: 2.137176230783952
Energy: 1.8639992285574607
Energy: 2.110580770480725
Energy: 1.8655122476359844
Energy: 2.11058077048309
Energy: 1.8628207011585671
Energy: 1.8989560839597945
Energy: 1.7223218021893996
Energy: 1.8989560839597945
Energy: 1.8633236977952885
Energy: 1.866195301644329
Energy: 1.7223947142959213
Energy: 1.8661953016455113
Energy: 1.7217686562629821
Energy: 1.8405617075932021
Energy: 1.8403673488906465
Energy: 1.8405617075943843
Energy: 1.9464962345521226
Energy: 1.8463682264440027
Energy: 1.857480294857962
Energy: 1.8463682264440027
Energy: 1.8577757211309327
Energy: 1.840387423415347
Energy: 1.8582832286028423
Energy: 1.840387423415347
Energy: 1.8402148178462356
Energy: 1.8459352004227247
Energy: 1.841208627852745
Energy: 1.8459352004227247
Energy: 1.8578934851885527
Energy: 1.8449523433447663
Energy: 1.863422184011894
Energy: 1.8449523433506776
Energy: 1.8460388706057476
Energy: 1.9644274707907032
Energy: 1.8625787265189002
Energy: 1.9644274707883385
Energy: 1.9637593125446833
Energy: 2.141154758259662
Energy: 1.8631470230171723
Energy: 2.1411547582584793
Energy: 1.9632289817087378
Energy: 2.1417135213397294
Energy: 1.8632466468170614
Energy: 2.1417135213397294
Energy: 1.8635458262357167
Energy: 1.864538824680726
Energy: 1.722224846726043
Energy: 1.8645388246854553
Energy: 1.8636964279845831
Energy: 1.8646654473395625
Energy: 1.722356825880879
Energy: 1.8646654473419273
Energy: 1.7212553916648794
Energy: 1.8404256592825912
Energy: 1.8392628258182673
Energy: 1.8404256592825912

minimum gb energy = 1.7212553916648794 eV
minimum distance =  2.31266506738637 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 2.279781503503301
Energy: 1.8788840998155274
Energy: 2.030334448098616
Energy: 2.002431030567103
Energy: 2.0064253070244593
Energy: 2.001864897597571
Energy: 2.0220028092510396
Energy: 2.001864897597571
Energy: 2.003173773761291
Energy: 2.0032579437259117
Energy: 2.021550366168999
Energy: 2.0032579437259117
Energy: 2.001530097895797
Energy: 2.0028756637854044
Energy: 1.9097620557461774
Energy: 2.002875663783942
Energy: 1.9029792331790434
Energy: 2.104773046108143
Energy: 1.9095194179255952
Energy: 2.1047730461066805
Energy: 1.8657162675684618
Energy: 2.1312413485644033
Energy: 1.9075588281987423
Energy: 2.1312413485629413
Energy: 1.8578195091311729
Energy: 2.107865032922596
Energy: 1.910160982996492
Energy: 2.107865032922596
Energy: 1.8578681952918832
Energy: 2.0041450198178836
Energy: 1.9095023389156693
Energy: 2.0041450198149593
Energy: 2.002139662048609
Energy: 2.0020401017048544
Energy: 2.1354268190829018
Energy: 2.0020401017048544
Energy: 2.0222528912011155
Energy: 2.0017307812152496
Energy: 2.130587465442772
Energy: 2.0017307812152496
Energy: 2.021213705130114
Energy: 2.0025960016032385
Energy: 2.0222814969413836
Energy: 2.0025960016032385
Energy: 2.000469405448775
Energy: 2.0032282884481427
Energy: 2.0030798603354345
Energy: 2.0032282884481427
Energy: 1.9085417538655207
Energy: 2.132320841711145
Energy: 1.903139809918055
Energy: 2.132320841711145
Energy: 1.90976190153782
Energy: 2.107826365803279
Energy: 1.8678574525741578
Energy: 2.107826365804741
Energy: 1.9091413379751532
Energy: 2.111087748903725
Energy: 1.8581023937760972
Energy: 2.111087748903725
Energy: 1.9093667444598472
Energy: 2.111338445503737
Energy: 1.8585026658828174
Energy: 2.111338445503737
Energy: 2.13232007390602
Energy: 2.0015985185162113
Energy: 2.0002189060623405
Energy: 2.0015985185162113

minimum gb energy = 1.8578195091311729 eV
minimum distance =  2.30815725971638 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 3.0017848118972053
Energy: 2.077281599905217
Energy: 2.197003014857873
Energy: 2.1946635379374118
Energy: 1.913059671449958
Energy: 1.9481620091422882
Energy: 2.0939553929334562
Energy: 1.9481620091398042
Energy: 1.9889740478268418
Energy: 1.9889175840903635
Energy: 2.183000822378982
Energy: 1.9889175840895355
Energy: 1.9890779533034502
Energy: 2.152004105234479
Energy: 1.9868748807966756
Energy: 2.152004105233651
Energy: 1.9889096555536272
Energy: 2.10490047385048
Energy: 1.9156465124361908
Energy: 2.1049004738513077
Energy: 1.9871965282049906
Energy: 2.0279033771461874
Energy: 1.9883798074745929
Energy: 2.027903377145359
Energy: 2.055026369944222
Energy: 1.9863285119228606
Energy: 1.9879311910431734
Energy: 1.9863285119212044
Energy: 2.255765428892245
Energy: 1.9858653437996652
Energy: 1.9525189495549398
Energy: 1.9858653438004932
Energy: 2.1831852883346974
Energy: 2.1585226142498617
Energy: 2.1844888900766537
Energy: 2.1585226142498617
Energy: 2.1583294321229682
Energy: 2.1581468423452126
Energy: 2.091270502662008
Energy: 2.1581468423452126
Energy: 1.985442198597062
Energy: 1.9187364949027497
Energy: 1.9458988327990088
Energy: 1.9187364949052341
Energy: 2.1593747545552633
Energy: 1.9485400874492096
Energy: 1.9494450832042214
Energy: 1.9485400874492096
Energy: 2.0556955078049906
Energy: 1.948526994935843
Energy: 1.9483889251875932
Energy: 1.948526994936671
Energy: 2.055785149490304
Energy: 1.948893099889534
Energy: 1.9477898457728182
Energy: 1.948893099887878
Energy: 2.15755856664534
Energy: 2.156914315716612
Energy: 2.2587777324889324
Energy: 2.15691431571744
Energy: 2.179289024459372
Energy: 2.1570689601612347
Energy: 2.2586154810181496
Energy: 2.157068960162063
Energy: 2.1585658377204653
Energy: 1.9865098592045187
Energy: 1.9886220639177659
Energy: 1.9865098592045187
Energy: 2.1601422023066554
Energy: 1.986302962179762
Energy: 1.98497712863976
Energy: 1.986302962179762
Energy: 1.9875408713792315
Energy: 2.1043093330655496
Energy: 1.9903379669898371
Energy: 2.1043093330638936
Energy: 1.916342478935079
Energy: 2.030358078909879
Energy: 1.9898341272048858
Energy: 2.0303580789065667
Energy: 1.9872057200275253
Energy: 1.9879574188800626
Energy: 2.255541573135118
Energy: 1.9879574188800626
Energy: 1.9888362993772173
Energy: 2.007712830504737
Energy: 2.0556475169067054
Energy: 2.007712830504737
Energy: 2.0909881882183403
Energy: 2.158663680294072
Energy: 2.092010963595646
Energy: 2.158663680294072
Energy: 2.184504895624533
Energy: 2.1585292996232925
Energy: 2.1587469727148543
Energy: 2.1585292996224643
Energy: 1.948673055441742
Energy: 1.9485440102656633
Energy: 2.159043084522385
Energy: 1.9485440102640073
Energy: 1.9495033934957757
Energy: 1.9491123445804113
Energy: 1.9856335669182221
Energy: 1.949112344576271
Energy: 1.945176259062382
Energy: 1.9493697250769226
Energy: 2.0577817797144706
Energy: 1.9493697250760946
Energy: 1.9523294860342622
Energy: 1.9489795063692497
Energy: 2.0559313830694856
Energy: 1.9489795063717341
Energy: 1.948800690121456
Energy: 1.947820984526068
Energy: 2.0550518750494002
Energy: 1.9478209845244119
Energy: 2.262664231939227
Energy: 2.159043022116057
Energy: 2.158027224136847
Energy: 2.159043022116057

minimum gb energy = 1.913059671449958 eV
minimum distance =  2.31370192024329 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 2.764110896620301
Energy: 1.9022018159203176
Energy: 2.1444562078036378
Energy: 2.093747071228572
Energy: 2.2815752373375306
Energy: 2.0093860343268837
Energy: 2.0927820351362962
Energy: 2.0093860343287897
Energy: 2.092313162885573
Energy: 2.0924964771908647
Energy: 2.1092381375249216
Energy: 2.0924964771908647
Energy: 2.092151141433026
Energy: 2.0118366735638964
Energy: 2.090248529129058
Energy: 2.011836673560084
Energy: 2.1169165659355387
Energy: 2.0103323691699297
Energy: 1.8883639479920264
Energy: 2.0103323691699297
Energy: 2.089703000321284
Energy: 2.0142283838305457
Energy: 1.8909238195489626
Energy: 2.0142283838343586
Energy: 2.276906718544937
Energy: 2.0919473663559516
Energy: 2.0925761966277334
Energy: 2.0919473663540455
Energy: 2.276699362408779
Energy: 2.0897699728118195
Energy: 2.087764479687323
Energy: 2.0897699728099135
Energy: 2.096663680725088
Energy: 2.0946307912450592
Energy: 2.108888273692583
Energy: 2.0946307912431528
Energy: 2.0894403200416374
Energy: 2.0913129379344357
Energy: 2.092417839931277
Energy: 2.091312937932529
Energy: 2.1171066588346736
Energy: 2.0192730937648347
Energy: 1.8900461686117682
Energy: 2.0192730937648347
Energy: 2.094413923339409
Energy: 2.01024733952948
Energy: 1.8827269837886476
Energy: 2.0102473395275737
Energy: 2.276752448049183
Energy: 2.09007375099855
Energy: 2.087026937529187
Energy: 2.090073751000456

minimum gb energy = 1.8827269837886476 eV
minimum distance =  2.30124532099203 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 2.654142982147491
Energy: 2.131078887444297
Energy: 2.3150812107194567
Energy: 2.2261915876433958
Energy: 2.0567663037811017
Energy: 1.9870624898759914
Energy: 2.2483813292399346
Energy: 1.9870624898752858
Energy: 1.9836017607317034
Energy: 1.9860272588029686
Energy: 2.2235051531329018
Energy: 1.9860272588036743
Energy: 1.9882610323765004
Energy: 1.9900393116083392
Energy: 2.3431240093338257
Energy: 1.9900393116090445
Energy: 1.988739654620234
Energy: 1.986446084204888
Energy: 2.3392196150178592
Energy: 1.986446084204888
Energy: 1.986807762281344
Energy: 1.987097766725693
Energy: 2.3393772050987507
Energy: 1.9870977667249876
Energy: 2.2643633888522663
Energy: 2.22488863101077
Energy: 2.2514981660865554
Energy: 2.2248886310093585
Energy: 2.2520281767220474
Energy: 2.2237400917705576
Energy: 2.225369872727543
Energy: 2.2237400917726746
Energy: 2.0424803520015447
Energy: 2.1363194065368467
Energy: 2.0710761126363804
Energy: 2.136319406532613
Energy: 1.9998532956931072
Energy: 2.0713943265013306
Energy: 2.2286779884202557
Energy: 2.0713943265252563
Energy: 2.037402358500061
Energy: 2.0376661555662103
Energy: 2.188210719899008
Energy: 2.037666155566916
Energy: 2.069552458732477
Energy: 2.041084151084229
Energy: 2.3407647557964726
Energy: 2.041084151084935
Energy: 2.248499249733213
Energy: 2.038034227362549
Energy: 2.0797735300976314
Energy: 2.0380342273618433
Energy: 2.2495153010995166
Energy: 2.039249505354141
Energy: 2.0409218944525622
Energy: 2.0392495053520245
Energy: 2.2234279831979
Energy: 2.0430125937411265
Energy: 2.0432892337146473
Energy: 2.0430125937411265
Energy: 2.1063815873995573
Energy: 2.1616637872758617
Energy: 2.044451700656077
Energy: 2.1616637872765674
Energy: 2.2245387120126305
Energy: 2.148501434481072
Energy: 2.043312554452789
Energy: 2.1485014344817777
Energy: 2.2239764471216117
Energy: 2.227378144780506
Energy: 2.343612428724977
Energy: 2.2273781447812118
Energy: 2.2489488962658584
Energy: 2.071559607866699
Energy: 2.058221696337005
Energy: 2.0715596078554097
Energy: 2.2239517648247835
Energy: 1.9846474858406111
Energy: 1.9833016026954553
Energy: 1.9846474858413168
Energy: 2.3447664826895718
Energy: 1.988279163173714
Energy: 1.9909427744599655
Energy: 1.9882791631744194
Energy: 2.339336028058112
Energy: 1.9857211991716042
Energy: 1.9866553646867477
Energy: 1.9857211991716042
Energy: 2.3393017010935613
Energy: 1.9881008607986506
Energy: 1.9868543686950366
Energy: 1.9881008607979451
Energy: 2.253196992071436
Energy: 2.2241851154131536
Energy: 2.2509146757146823
Energy: 2.2241851154131536
Energy: 2.2263705559991425
Energy: 2.223913076171607
Energy: 2.2504484330469543
Energy: 2.223913076170901
Energy: 2.0679389622642232
Energy: 2.161292069332668
Energy: 2.0401051062744044
Energy: 2.1612920693305515
Energy: 2.225100887006812
Energy: 2.073178059010686
Energy: 1.999748230587081
Energy: 2.073178058995227
Energy: 2.1846182317526948
Energy: 2.0381458570286397
Energy: 2.038793745418179
Energy: 2.0381458570251114
Energy: 2.340065579857438
Energy: 2.0426269510695385
Energy: 2.06667318644714
Energy: 2.0426269510702437
Energy: 2.0818162931205135
Energy: 2.0382764592596048
Energy: 2.248725950046493
Energy: 2.03827645926031
Energy: 2.0437507040887906
Energy: 2.0406475059051457
Energy: 2.224992906645391
Energy: 2.040647505905851
Energy: 2.043021641270976
Energy: 2.044795869734942
Energy: 2.2247498135289687
Energy: 2.044795869734942
Energy: 2.066034839891514
Energy: 2.2538764419625092
Energy: 2.1055535952007407
Energy: 2.253876441963215
Energy: 2.0412067867820514
Energy: 2.1510659396543095
Energy: 2.1048990010774857
Energy: 2.151065939655015
Energy: 2.343918915779442
Energy: 2.2262796036188996
Energy: 2.2236894185066496
Energy: 2.2262796036181944

minimum gb energy = 1.9833016026954553 eV
minimum distance =  2.28551503687375 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 2.529044142287566
Energy: 1.9919004075506146
Energy: 2.1405346530715903
Energy: 2.1359379817931106
Energy: 2.158803892890379
Energy: 1.9917515997119752
Energy: 2.1623019477579093
Energy: 1.9917515997119752
Energy: 1.9825518502737527
Energy: 1.9851050954017222
Energy: 2.1311866968189213
Energy: 1.985105095402842
Energy: 1.9852363766788865
Energy: 1.9870204773351934
Energy: 2.302651124206866
Energy: 1.987020477334074
Energy: 1.9904668531927234
Energy: 1.991603720619537
Energy: 2.2992588765796826
Energy: 1.9916037206184174
Energy: 1.992202165180577
Energy: 1.992109288777444
Energy: 2.2993078225889723
Energy: 1.992109288777444
Energy: 2.157654954517715
Energy: 2.1393736210780046
Energy: 2.168433864729971
Energy: 2.1393736210791237
Energy: 2.156244935097507
Energy: 2.1351242362808462
Energy: 2.1336093703706314
Energy: 2.1351242362797263
Energy: 2.1365663491678486
Energy: 2.1355539288161682
Energy: 2.140948004220833
Energy: 2.1355539289795344
Energy: 2.007859064022321
Energy: 2.13665713440063
Energy: 2.13834465539643
Energy: 2.136657134396153
Energy: 2.132070061126415
Energy: 2.1352525648509832
Energy: 2.299446131126675
Energy: 2.1352525648498637
Energy: 2.168758247198688
Energy: 2.1359197290319485
Energy: 2.3029721400237615
Energy: 2.135919729030829
Energy: 2.1307736549490226
Energy: 1.9916043995858823
Energy: 1.9925996862041642
Energy: 1.9916043995858823
Energy: 2.1320989989351595
Energy: 1.99075011477871
Energy: 1.9874046661038582
Energy: 1.9907501147775906
Energy: 2.3019933716911694
Energy: 1.9849606660501435
Energy: 1.983510945053299
Energy: 1.9849606660512629
Energy: 2.299475825768556
Energy: 1.9866893439215048
Energy: 1.983444087477459
Energy: 1.9866893439215048
Energy: 2.2990868604683863
Energy: 1.9916849200996734
Energy: 1.9926357525099132
Energy: 1.9916849200996734
Energy: 2.1694438960320674
Energy: 2.1368322114839295
Energy: 2.3036577192463294
Energy: 2.1368322114839295
Energy: 2.1353813897657163
Energy: 2.137530297576057
Energy: 2.157002887098321
Energy: 2.137530297574938
Energy: 2.134999386587348
Energy: 2.1300628123821173
Energy: 2.137991242914809
Energy: 2.1300628123821173
Energy: 2.1346172623753934
Energy: 2.135973837881007
Energy: 2.005205425260925
Energy: 2.135973837882127
Energy: 2.3032912326572887
Energy: 2.135235422868524
Energy: 2.1362582382401265
Energy: 2.135235422868524

minimum gb energy = 1.9825518502737527 eV
minimum distance =  2.28720581469228 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.2906654060995177
Energy: 2.0188413820430986
Energy: 2.133943868712913
Energy: 2.1351477176733034
Energy: 2.1297503381838
Energy: 2.132630415156212
Energy: 2.1628389427662773
Energy: 2.132630415156212
Energy: 1.9947481268457372
Energy: 1.9972747766519976
Energy: 2.1323435321806854
Energy: 1.997274776651206
Energy: 2.000638306124699
Energy: 2.0027094124467038
Energy: 2.3709965760663434
Energy: 2.002709412445912
Energy: 1.9926940889490001
Energy: 1.9936081881525216
Energy: 2.2627933656736254
Energy: 1.9936081881548962
Energy: 2.022111085442899
Energy: 1.9938402946962497
Energy: 2.2625436075306253
Energy: 1.9938402947002074
Energy: 2.2496520080703366
Energy: 1.9956858988365365
Energy: 2.018045925884348
Energy: 1.9956858988420776
Energy: 2.1623952688316788
Energy: 1.9924747869740258
Energy: 1.9934804929787047
Energy: 1.992474786970068
Energy: 2.2501071919178295
Energy: 2.0167309239590754
Energy: 2.017054773819279
Energy: 2.016730923954326
Energy: 2.2627418848129257
Energy: 2.2903807146664388
Energy: 1.9927666121782297
Energy: 2.2903807146648556
Energy: 2.1683413342682636
Energy: 2.1302832444936417
Energy: 2.1498142874262065
Energy: 2.1302832444936417
Energy: 2.134412495528202
Energy: 2.135837709303379
Energy: 2.2517879698241656
Energy: 2.1358377093002487
Energy: 2.1335282259298958
Energy: 2.1366455599495673
Energy: 2.136053493576298
Energy: 2.1366455599487755
Energy: 2.1345474844072228
Energy: 2.1141490855541067
Energy: 1.9969544742827028
Energy: 2.1141490855525236
Energy: 2.1336138141343692
Energy: 2.1372281689202315
Energy: 2.0005018393124314
Energy: 2.1372281689154815
Energy: 2.235578354028064
Energy: 2.135837905020293
Energy: 2.1327030569492176
Energy: 2.1358379050179184
Energy: 2.3454500820673565
Energy: 2.1301273428862864
Energy: 2.1635631490852143
Energy: 2.1301273428862864
Energy: 1.9944548730972635
Energy: 2.2368095449673207
Energy: 2.165649463990721
Energy: 2.2368095449720697
Energy: 2.013515363072649
Energy: 2.0167315233130205
Energy: 2.2498147906401664
Energy: 2.016731523315395
Energy: 1.9933690829676782
Energy: 1.992475499251855
Energy: 2.235941649279346
Energy: 1.9924754992542295
Energy: 2.018349339190228
Energy: 1.9955913281240891
Energy: 2.2629134561261486
Energy: 1.9955913281153819
Energy: 2.2545876844588224
Energy: 1.9938683242228528
Energy: 2.019180646769926
Energy: 1.9938683242228528
Energy: 2.2562575280395465
Energy: 1.9939468360721277
Energy: 1.9926553052220854
Energy: 1.9939468360713362
Energy: 2.1576558508687143
Energy: 2.003698997773955
Energy: 2.0012640156945904
Energy: 2.00369899777633
Energy: 2.2630143180725346
Energy: 1.9973179732388089
Energy: 1.9947929795962234
Energy: 1.9973179732364341
Energy: 2.2655510106827412
Energy: 2.1320308383401674
Energy: 1.9966012406620783
Energy: 2.1320308383409587
Energy: 2.133008838410983
Energy: 2.132825150193358
Energy: 2.9632726327440504
Energy: 2.1328251501925664
Energy: 2.1302727232804304
Energy: 2.133164913140819
Energy: 2.1320553881217075
Energy: 2.1331649131439847
Energy: 2.137346845262155
Energy: 2.1239930607310034
Energy: 2.137317701611291
Energy: 2.1239930607341697
Energy: 2.1300057036553666
Energy: 2.132317383643913
Energy: 1.998593057969291
Energy: 2.1323173836454963
Energy: 2.24045846788315
Energy: 2.131284753227946
Energy: 2.1367557181278456
Energy: 2.131284753227946

minimum gb energy = 1.992474786970068 eV
minimum distance =  2.27617602418908 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.9310094574881398
Energy: 1.931434189923812
Energy: 1.9398472211005646
Energy: 2.0828965587506305
Energy: 1.9165052054117786
Energy: 2.0562356213689723
Energy: 1.9355385952424344
Energy: 2.056235621370075
Energy: 1.9369070129656216
Energy: 2.069231304859994
Energy: 1.9229434715453742
Energy: 2.069231304859718
Energy: 1.9206300754688155
Energy: 1.9363045712454603
Energy: 1.934777502396696
Energy: 1.936304571245736
Energy: 1.9343686882078392
Energy: 1.9380897671405206
Energy: 1.922268565849118
Energy: 1.9380897671405206
Energy: 1.9341038576993146
Energy: 2.0614626118209274
Energy: 1.9221068615174346
Energy: 2.0614626118198554
Energy: 1.9234219502207854
Energy: 2.0682500359609675
Energy: 1.9352974926485635
Energy: 2.0682500359590987
Energy: 1.9355071923187974
Energy: 1.9387272876325814
Energy: 1.9169036902158352
Energy: 1.9387272876328572
Energy: 1.916004720001611
Energy: 1.9364888363375314
Energy: 1.9350995102887147
Energy: 1.9364888363370107

minimum gb energy = 1.916004720001611 eV
minimum distance =  2.27861079295815 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 2.5273685073512273
Energy: 1.7841753594548517
Energy: 2.1392421916503968
Energy: 1.8308540222511207
Energy: 1.867740466337776
Energy: 1.8287326426752228
Energy: 2.1763519506750746
Energy: 1.828732642677466
Energy: 2.1767746342365375
Energy: 1.965217174749163
Energy: 2.182993658966804
Energy: 1.965217174749911
Energy: 1.8668814306995503
Energy: 1.8259473306610088
Energy: 2.1695689224056496
Energy: 1.8259473306632519
Energy: 2.167775577597487
Energy: 1.826146469138679
Energy: 2.178418390499435
Energy: 1.8261464691394267
Energy: 1.8285837102092386
Energy: 1.8262780888723626
Energy: 2.1773904692548434
Energy: 1.8262780888731107
Energy: 1.8274184679336178
Energy: 1.8261949595696398
Energy: 2.1704211803763354
Energy: 1.8261949595696398
Energy: 1.8303856256394047
Energy: 1.828722318126428
Energy: 2.4622563367672203
Energy: 1.8287223181271757
Energy: 1.8723784051904981
Energy: 1.882644793031235
Energy: 2.4722573398496563
Energy: 1.882644793031983
Energy: 2.1840184545403423
Energy: 1.7839074335215201
Energy: 1.785691080487127
Energy: 1.783907433522268
Energy: 1.8716410012276616
Energy: 1.784160207844737
Energy: 1.7854992559065
Energy: 1.7841602078439893
Energy: 2.4597421409213847
Energy: 1.7838880413552685
Energy: 1.785949716854878
Energy: 1.7838880413552685
Energy: 2.459519449103783
Energy: 1.784216511139118
Energy: 1.7873094960085314
Energy: 1.7842165111398653
Energy: 1.8692758550205537
Energy: 1.87802356915966
Energy: 2.1802124649782444
Energy: 1.8780235691604077
Energy: 1.8295680079336003
Energy: 1.8271572116541264
Energy: 2.178570809596703
Energy: 1.827157211652631
Energy: 1.829213310875679
Energy: 1.8285079648220552
Energy: 2.167387344655697
Energy: 1.8285079648220552
Energy: 1.826895580107604
Energy: 1.8259617168241442
Energy: 1.8663272701397757
Energy: 1.8259617168233961
Energy: 2.1746658770363494
Energy: 1.8286010611358812
Energy: 1.8686043367539287
Energy: 1.8286010611366288
Energy: 2.185458065247772
Energy: 1.9650496142053877
Energy: 2.174006758102371
Energy: 1.96504961420464
Energy: 2.171103246023342
Energy: 1.8256306405909801
Energy: 1.8645138691786622
Energy: 1.825630640587989
Energy: 2.178018126355334
Energy: 1.8268111205343043
Energy: 2.1709109611512427
Energy: 1.8268111205343043
Energy: 2.1791089476606156
Energy: 1.8261287921823726
Energy: 1.8278461233697603
Energy: 1.8261287921838678
Energy: 2.168875206961884
Energy: 1.8267583057608299
Energy: 1.82816504078559
Energy: 1.8267583057600818
Energy: 2.461281038689692
Energy: 1.8291905149707268
Energy: 1.830193056701271
Energy: 1.8291905149692314
Energy: 2.460866517774803
Energy: 1.8782106663576064
Energy: 1.8718738864953195
Energy: 1.8782106663576064
Energy: 1.7868857153077073
Energy: 1.7842954705084135
Energy: 2.1837101631003133
Energy: 1.7842954705084135
Energy: 1.7853601688069436
Energy: 1.7839444829130902
Energy: 1.8724659112152342
Energy: 1.7839444829123425
Energy: 1.785188223528135
Energy: 1.7838615062899508
Energy: 1.874819843962115
Energy: 1.7838615062899508
Energy: 1.7865349642892148
Energy: 1.7838402358936882
Energy: 2.459993155202502
Energy: 1.7838402358936882
Energy: 2.1803133450847754
Energy: 1.877485091357207
Energy: 1.8691075615196178
Energy: 1.8774850913579544
Energy: 2.1806692485428294
Energy: 1.8278124153399204
Energy: 1.8297794201929136
Energy: 1.8278124153399204
Energy: 2.1665636665617867
Energy: 1.8278598341116925
Energy: 1.8292921060425178
Energy: 1.8278598341124404
Energy: 1.8690314999715274
Energy: 1.82566735890485
Energy: 1.8273329889827077
Energy: 1.8256673589063455

minimum gb energy = 1.7838402358936882 eV
minimum distance =  2.26817801749953 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 2.7119195396542826
Energy: 1.677836205738159
Energy: 2.057698591479136
Energy: 1.7287542419038031
Energy: 1.778231439101062
Energy: 1.730139140856105
Energy: 2.213236044434695
Energy: 1.7301391408571392
Energy: 2.2128147211934164
Energy: 1.906196611906603
Energy: 2.22184532611597
Energy: 1.906196611906603
Energy: 1.772800644095281
Energy: 1.9071285816702084
Energy: 2.201592954784881
Energy: 1.9071285816722758
Energy: 1.7279372896523435
Energy: 1.72631134694414
Energy: 2.213796199072795
Energy: 1.7263113469431062
Energy: 1.7254631099438749
Energy: 1.7271058821112233
Energy: 2.211475082363798
Energy: 1.7271058821070877
Energy: 1.7238010771804053
Energy: 1.725129390919503
Energy: 2.2031630418899133
Energy: 1.7251293909184688
Energy: 1.7301916986120016
Energy: 1.731490366934759
Energy: 2.620295198077493
Energy: 1.7314903669357933
Energy: 2.207911264211094
Energy: 1.8062254892962397
Energy: 2.620794415749141
Energy: 1.8062254892983074
Energy: 2.213430789597911
Energy: 1.731386791180716
Energy: 1.7304537102017605
Energy: 1.731386791180716
Energy: 2.205056051857934
Energy: 1.7245183071911627
Energy: 1.723091336071377
Energy: 1.7245183071890948
Energy: 2.619371903331775
Energy: 1.7280843022478884
Energy: 1.7270439876288242
Energy: 1.7280843022468548
Energy: 2.6193165403506247
Energy: 1.725919210375001
Energy: 1.7274806531943763
Energy: 1.725919210376035
Energy: 1.7307861172153596
Energy: 1.9080867212601877
Energy: 2.2199693520491186
Energy: 1.9080867212601877
Energy: 1.7766559736743768
Energy: 1.9059593976058589
Energy: 2.216015910175249
Energy: 1.9059593976048248
Energy: 1.7811910943205111
Energy: 1.7292058961661836
Energy: 2.202685345207921
Energy: 1.7292058961661836
Energy: 1.7270544991200567
Energy: 1.7269234198941987
Energy: 2.219776174693424
Energy: 1.7269234198941987
Energy: 1.7287058659728838
Energy: 1.73072477232045
Energy: 2.203999479790687
Energy: 1.7307247723214838
Energy: 1.7238676199662282
Energy: 1.7250805171457344
Energy: 2.6207568090351474
Energy: 1.7250805171447006
Energy: 1.7286370078462914
Energy: 1.732713804639528
Energy: 2.62101278590626
Energy: 1.732713804638494
Energy: 2.21421520043277
Energy: 1.8068924400481676
Energy: 2.201368663680883
Energy: 1.8068924400492015
Energy: 2.2174150056944786
Energy: 1.7298575276567207
Energy: 1.7296423922139637
Energy: 1.729857527657755
Energy: 1.730160202121815
Energy: 1.7269494452757415
Energy: 1.7272807277634943
Energy: 1.7269494452747076
Energy: 2.619815495952059
Energy: 1.726032381031732
Energy: 1.7246656987134206
Energy: 1.726032381031732

minimum gb energy = 1.677836205738159 eV
minimum distance =  2.27270614052542 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.8831703013385903
Energy: 1.6547260770076515
Energy: 2.041253467796835
Energy: 1.692836692194374
Energy: 1.7198624647880658
Energy: 1.691162173654453
Energy: 2.0000616973319416
Energy: 1.691162173654453
Energy: 2.2647205716707157
Energy: 1.6853973970907175
Energy: 2.000762226454137
Energy: 1.6853973970760199
Energy: 2.2536797259577437
Energy: 1.7731106601273057
Energy: 1.987271152183308
Energy: 1.7731106601260276
Energy: 1.9566328406593774
Energy: 1.6538375471238942
Energy: 2.07187084794742
Energy: 1.6538375471558455
Energy: 1.6541654115898012
Energy: 1.6539359296388492
Energy: 2.0670997731321026
Energy: 1.6539359296394884
Energy: 1.6535684432560083
Energy: 1.653217825033372
Energy: 1.7185250148361937
Energy: 1.653217825033372
Energy: 1.6553996415550087
Energy: 1.654107215818755
Energy: 1.877145168030465
Energy: 1.6541072158328136
Energy: 2.2632100624434583
Energy: 1.6539390261719014
Energy: 1.995236752094722
Energy: 1.6539390261719014
Energy: 2.002937709761045
Energy: 1.7709808594391492
Energy: 1.9913975949344995
Energy: 1.77098085943851
Energy: 2.259978962541321
Energy: 1.6844389078787176
Energy: 1.7135919182872223
Energy: 1.6844389078774393
Energy: 2.273343678262085
Energy: 1.6849986104910464
Energy: 1.9897266695546039
Energy: 1.6849986104916852
Energy: 2.077367775103441
Energy: 1.6842201329159914
Energy: 1.6850185006307357
Energy: 1.6842201329140742
Energy: 1.6859755163993289
Energy: 1.685698491623791
Energy: 1.687154152323281
Energy: 1.6856984916225126
Energy: 2.2725585042160175
Energy: 1.6898928460004097
Energy: 1.6926085548430319
Energy: 1.6898928460004097
Energy: 1.8623715701899393
Energy: 1.6874483666115956
Energy: 1.6885537430401591
Energy: 1.6874483666122349
Energy: 1.6870112873865886
Energy: 1.6879571926023664
Energy: 2.0658622181372506
Energy: 1.6879571926017276
Energy: 1.6851109179182178
Energy: 1.6843966348498607
Energy: 2.2646783478652224
Energy: 1.6843966348492219
Energy: 1.6903946497516038
Energy: 1.6889534402511157
Energy: 1.9924215171979385
Energy: 1.6889534402517548
Energy: 1.688167121263246
Energy: 1.6852350546388086
Energy: 1.8788968425174526
Energy: 1.6852350546394477
Energy: 2.001718708117797
Energy: 1.687601751214916
Energy: 1.9597182835886762
Energy: 1.687601751215555
Energy: 1.9985877013829862
Energy: 2.047972973644344
Energy: 2.26563509610429
Energy: 2.047972973644344
Energy: 1.9878039696483638
Energy: 1.7719206280162332
Energy: 2.2750661880403213
Energy: 1.7719206280162332
Energy: 2.079206306948521
Energy: 1.653872048085298
Energy: 1.9568235097778075
Energy: 1.6538720480865763
Energy: 2.267338687645131
Energy: 1.6542220034486672
Energy: 1.6544508226834345
Energy: 1.654222003449306
Energy: 1.9896801524477483
Energy: 1.65292914903512
Energy: 1.653029002335033
Energy: 1.6529291490376758
Energy: 1.8583864682335158
Energy: 1.6540622433567376
Energy: 1.6560481113506476
Energy: 1.6540622433535426
Energy: 1.7233595302936864
Energy: 1.653175201021468
Energy: 2.265958160689554
Energy: 1.653175201020829
Energy: 1.9962342106866324
Energy: 1.7742765001439187
Energy: 2.00038830913908
Energy: 1.7742765001451968
Energy: 1.7149894760697293
Energy: 1.6849152501549813
Energy: 2.2568876339574055
Energy: 1.6849152501575375
Energy: 1.9874607634196926
Energy: 1.6841991538234247
Energy: 2.067807929007619
Energy: 1.6841991538227856
Energy: 1.685108293826888
Energy: 1.6842014378254686
Energy: 2.070612731854353
Energy: 1.6842014378267465
Energy: 1.6853131874176452
Energy: 1.6842518788739855
Energy: 1.9875558815742433
Energy: 1.6842518788714294
Energy: 1.6925695052320147
Energy: 1.6917269952825311
Energy: 2.253182294402184
Energy: 1.6917269952831704
Energy: 1.9943851040026706
Energy: 1.7356308213982348
Energy: 1.6560449925375025
Energy: 1.7356308213963174
Energy: 2.066416262731082
Energy: 1.6860308527300423
Energy: 1.688863972881272
Energy: 1.6860308527312624
Energy: 2.2610062033601794
Energy: 1.6841801227545623
Energy: 1.684178726871207
Energy: 1.6841801227545623
Energy: 2.2644890611411426
Energy: 1.6851960791501939
Energy: 1.688186008246119
Energy: 1.6851960791476377

minimum gb energy = 1.65292914903512 eV
minimum distance =  2.2685927878475 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 3.5769416427583387
Energy: 1.5285203618535237
Energy: 1.5400512389076588
Energy: 1.5364436229691423
Energy: 1.5353089236518234
Energy: 1.676680721951769
Energy: 1.5453151602758528
Energy: 1.676680721951769
Energy: 1.534663841784534
Energy: 1.6758105610523217
Energy: 1.5419597724613214
Energy: 1.6758105610523217
Energy: 1.529572670511627
Energy: 1.6710460248610797
Energy: 1.5357124230979748
Energy: 1.6710460248610797
Energy: 1.535062226240364
Energy: 1.5361464546239023
Energy: 1.5316458972223412
Energy: 1.5361464546239023
Energy: 1.5346527751620713
Energy: 1.5352623560977656
Energy: 1.5312225294199004
Energy: 1.5352623560977656
Energy: 1.533279023839196
Energy: 1.5331248694525437
Energy: 1.537585829046527
Energy: 1.5331248694525437
Energy: 1.5345622601685993
Energy: 1.5350264943242953
Energy: 1.530335311383102
Energy: 1.5350264943226233
Energy: 1.5411579872140002
Energy: 1.5331954844068139
Energy: 1.541797750289035
Energy: 1.533195484408486
Energy: 1.5392938891949857
Energy: 1.6703559977236302
Energy: 1.540886288694111
Energy: 1.6703559977236302
Energy: 1.5377168103982968
Energy: 1.668916973390136
Energy: 1.526375618661682
Energy: 1.668916973390136
Energy: 1.5312372415429234
Energy: 1.5333899921037804
Energy: 1.5382435780264145
Energy: 1.5333899921037804
Energy: 1.5315389056029842
Energy: 1.5357552569364732
Energy: 1.5346376523362617
Energy: 1.5357552569364732
Energy: 1.5364820170636801
Energy: 1.5322102185333606
Energy: 1.5322026215441684
Energy: 1.5322102185333606
Energy: 1.530098791764581
Energy: 1.5362362758784114
Energy: 1.5351465930246395
Energy: 1.5362362758800834

minimum gb energy = 1.526375618661682 eV
minimum distance =  2.2899239165579 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 3.1098020112960008
Energy: 1.3953643626218202
Energy: 1.8162343329853687
Energy: 1.4155446749121017
Energy: 1.417713469714337
Energy: 1.4076729533547734
Energy: 1.7524358374159887
Energy: 1.4076729533526708
Energy: 1.4176664979603704
Energy: 1.4071902284090114
Energy: 1.7540841749114826
Energy: 1.407190228413216
Energy: 2.070743127099337
Energy: 1.4050891016083553
Energy: 1.7513802130928882
Energy: 1.4050891016118594
Energy: 1.7555728875901373
Energy: 1.4057641426133416
Energy: 1.75490625019617
Energy: 1.4057641426147431
Energy: 1.752512275727791
Energy: 1.4105812043199206
Energy: 1.7501478134300728
Energy: 1.410581204315015
Energy: 1.7537724206779792
Energy: 1.4074663873063655
Energy: 1.7484625825521152
Energy: 1.407466387302161
Energy: 1.7531243716421798
Energy: 1.4077735723919793
Energy: 1.7494108208417547
Energy: 1.407773572389877
Energy: 1.4060329631835622
Energy: 1.4047406670005553
Energy: 1.7562493087810032
Energy: 1.4047406670033586
Energy: 1.4058822523163832
Energy: 1.4056551192087603
Energy: 1.7544835051257375
Energy: 1.4056551192080595
Energy: 1.4077621298716791
Energy: 1.4057948827688138
Energy: 1.4174540342460729
Energy: 1.4057948827688138
Energy: 1.7502521907804034
Energy: 1.4864533900539971
Energy: 1.7540559250203194
Energy: 1.4864533900511938
Energy: 1.7576032746130974
Energy: 1.483864446246308
Energy: 1.747936749455743
Energy: 1.483864446245607
Energy: 1.7515567712512894
Energy: 1.4843974360242433
Energy: 2.090641907679447
Energy: 1.4843974360263459
Energy: 1.751408056130949
Energy: 1.4060121970358217
Energy: 1.7524517337071177
Energy: 1.4060121970365225
Energy: 1.7603047162875565
Energy: 1.4113740568235102
Energy: 1.4123305377495088
Energy: 1.411374056820006
Energy: 1.7474541916351316
Energy: 1.407336934683701
Energy: 1.4108567101555889
Energy: 1.4073369346893072
Energy: 1.4294498849303199
Energy: 1.4078021820292468
Energy: 1.4113092395499647
Energy: 1.4078021820243412
Energy: 2.070470843019376
Energy: 1.4050855819417183
Energy: 1.7469036993733593
Energy: 1.4050855819535681
Energy: 1.7554001747403447
Energy: 1.405691683999323
Energy: 1.7564573775810477
Energy: 1.4056916840007243
Energy: 2.257009662745628
Energy: 1.4059079561303713
Energy: 1.747136699675696
Energy: 1.4059079561345762
Energy: 1.7539660489683175
Energy: 1.4072749620932015
Energy: 1.749090532469921
Energy: 1.4072749620917997
Energy: 1.7479349684711143
Energy: 1.4057074314761666
Energy: 1.7566669762431162
Energy: 1.4057074314733633
Energy: 1.4177736480178447
Energy: 1.4054536482373652
Energy: 1.7519341225795069
Energy: 1.4054536482408693
Energy: 1.7481778292799763
Energy: 1.405638704511169
Energy: 1.7515827115036025
Energy: 1.405638704511169
Energy: 1.4061674711149093
Energy: 1.406068129220504
Energy: 1.7536548891693413
Energy: 1.4060681292177006
Energy: 1.4053549733605388
Energy: 1.405399481944528
Energy: 1.7516575261970078
Energy: 1.4053994819382205
Energy: 1.406882176210688
Energy: 1.4048958391331277
Energy: 1.4292322247357434
Energy: 1.4048958391366315
Energy: 1.7467584791031852
Energy: 1.4070946579704382
Energy: 2.0713775031953103
Energy: 1.4070946579725407
Energy: 1.7557373824319717
Energy: 1.4844989578754186
Energy: 1.7465638560140035
Energy: 1.4844989578719145
Energy: 1.7513834720467674
Energy: 1.4857877135598845
Energy: 2.0733960531011895
Energy: 1.48578771356479
Energy: 1.7598258163823899
Energy: 1.409863607030372
Energy: 1.7465245787159922
Energy: 1.4098636070310728
Energy: 1.7512615500949913
Energy: 1.4052877594062145
Energy: 1.4068547077243776
Energy: 1.405287759407616
Energy: 2.059406531254073
Energy: 1.4054224631751309
Energy: 1.4069320630399815
Energy: 1.4054224631716268
Energy: 2.0718650105296677
Energy: 1.4059941689963897
Energy: 1.4080320207886308
Energy: 1.4059941689935864

minimum gb energy = 1.3953643626218202 eV
minimum distance =  2.28572294847404 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 2.716168178336233
Energy: 1.269487399435041
Energy: 1.2679466108553736
Energy: 1.2683722507646635
Energy: 1.2700815521992943
Energy: 1.2652838959141897
Energy: 1.2704189524582759
Energy: 1.2652838959141897
Energy: 1.2734650671623184
Energy: 1.2663863935420208
Energy: 1.272451598666975
Energy: 1.2663863935408153
Energy: 1.2675801821274428
Energy: 1.4152629491241127
Energy: 1.2820375272421936
Energy: 1.415262949122907
Energy: 1.2800033133670545
Energy: 1.4150959258490472
Energy: 1.8287961809661073
Energy: 1.4150959258490472
Energy: 1.5814167480767893
Energy: 1.2678096552982903
Energy: 1.2661412224221675
Energy: 1.267809655305525
Energy: 1.270789982294781
Energy: 1.2652702030515546
Energy: 1.2787990452909854
Energy: 1.2652702030515546
Energy: 1.2775339367354874
Energy: 1.2691704270210555
Energy: 1.2759264684370322
Energy: 1.2691704270222612
Energy: 1.2669931032568482
Energy: 1.2664661941715158
Energy: 1.2668710095373539
Energy: 1.2664661941727218
Energy: 1.2650792658529946
Energy: 1.2653722300020416
Energy: 1.5809926056870456
Energy: 1.2653722300020416
Energy: 1.2679466109156314
Energy: 1.2683722494787522
Energy: 2.716168178336233
Energy: 1.269487399436247
Energy: 1.2704189524594816
Energy: 1.2652838959141897
Energy: 1.581656730396623
Energy: 1.2652838959141897
Energy: 1.2724515986693867
Energy: 1.2663863935420208
Energy: 1.27346506716114
Energy: 1.2663863935420208
Energy: 1.2820375272421936
Energy: 1.415262949122907
Energy: 1.2675801821238255
Energy: 1.4152629491217013
Energy: 1.8287961809649016
Energy: 1.4150959258490472
Energy: 1.2800033133670545
Energy: 1.4150959258490472
Energy: 1.5799022424652958
Energy: 1.2678096553019078
Energy: 1.266028942726898
Energy: 1.2678096552982903
Energy: 1.2787990453428035
Energy: 1.2652702030515546
Energy: 1.2707899822959865
Energy: 1.2652702030515546
Energy: 1.2759264686322742
Energy: 1.2691704270210555
Energy: 1.277533936734282
Energy: 1.2691704270222612
Energy: 1.2668710100206497
Energy: 1.2664661941727218
Energy: 1.2669931032568482
Energy: 1.2664661941727218
Energy: 1.2700815719520002
Energy: 1.2653722300020416
Energy: 1.2650792658517886
Energy: 1.2653722300020416

minimum gb energy = 1.2650792658517886 eV
minimum distance =  2.2928957702747 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 2.139078967461123
Energy: 1.0963686179182672
Energy: 1.1009596264395085
Energy: 1.0986175648019991
Energy: 2.024792406849759
Energy: 1.0939273471106377
Energy: 1.561266502083194
Energy: 1.093927347109696
Energy: 2.022587755736009
Energy: 1.0962619215918408
Energy: 1.5652638725550798
Energy: 1.0962619215918408
Energy: 2.0235611035522427
Energy: 1.0970590779690337
Energy: 1.563297404256954
Energy: 1.0970590779690337
Energy: 2.0342834457730796
Energy: 1.2193581994749607
Energy: 2.0345900334462916
Energy: 1.2193581994721363
Energy: 2.0265134691393154
Energy: 1.2169390345839033
Energy: 2.035169068894899
Energy: 1.2169390345848448
Energy: 2.0314569655199946
Energy: 1.219459241860361
Energy: 2.0346397921803083
Energy: 1.2194592418613022
Energy: 1.5632263604501855
Energy: 1.0957754001010094
Energy: 2.034154890056612
Energy: 1.0957754000991267
Energy: 1.566876469554172
Energy: 1.0960701980335092
Energy: 2.0387101602431135
Energy: 1.0960701980353922
Energy: 1.561436865388759
Energy: 1.0938990444378218
Energy: 2.0378841742395064
Energy: 1.0938990444378218
Energy: 1.1019497049580536
Energy: 1.0973245348163845
Energy: 2.7847152973126477
Energy: 1.0973245348182672
Energy: 1.0947712764774433
Energy: 1.094628478892991
Energy: 2.0376586116671067
Energy: 1.094628478892991
Energy: 1.0972858023828642
Energy: 1.096820387808119
Energy: 2.0235586479740406
Energy: 1.096820387808119
Energy: 1.0984048758649678
Energy: 1.0965617736104347
Energy: 2.023255911024391
Energy: 1.0965617736104347
Energy: 1.5674214302210117
Energy: 1.0946369698506064
Energy: 2.034785985004726
Energy: 1.0946369698524894
Energy: 1.5609466844207542
Energy: 1.0943246753435631
Energy: 2.022532182003389
Energy: 1.0943246753445048
Energy: 2.0342881178506254
Energy: 1.0966417572065656
Energy: 2.0224366243833773
Energy: 1.0966417572075073
Energy: 1.567917710382517
Energy: 1.215204513497738
Energy: 2.0333635036132978
Energy: 1.215204513497738
Energy: 2.0361834730541153
Energy: 1.2183546073353066
Energy: 2.0296011990183223
Energy: 1.2183546073362481
Energy: 2.037058117141127
Energy: 1.217995024230737
Energy: 2.0282625782118373
Energy: 1.2179950242326198
Energy: 2.03650578566856
Energy: 1.098283493634411
Energy: 1.5673725082730607
Energy: 1.0982834936353525
Energy: 2.0357551769665965
Energy: 1.0937045423494411
Energy: 1.096191753552207
Energy: 1.0937045423484997
Energy: 2.0370256951772094
Energy: 1.0966811209170195
Energy: 1.5599572093786962
Energy: 1.0966811209170195
Energy: 2.035392600865184
Energy: 1.0967368607689638
Energy: 1.0983653114515122
Energy: 1.096736860770847
Energy: 2.034958062487232
Energy: 1.094655382649536
Energy: 1.0958732195853418
Energy: 1.0946553826485945
Energy: 2.023231009353804
Energy: 1.0949499958594529
Energy: 1.0962075131045064
Energy: 1.0949499958585114

minimum gb energy = 1.0937045423484997 eV
minimum distance =  2.29494255100936 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 2.5571409304557697
Energy: 0.9751653051651629
Energy: 1.4366321421777664
Energy: 0.9775033232983571
Energy: 2.4739865814889677
Energy: 0.9732438193200701
Energy: 1.3666079690036987
Energy: 0.9732438193216139
Energy: 2.4729016015396783
Energy: 0.9716889571619327
Energy: 1.3669115275258565
Energy: 0.9716889571627048
Energy: 2.4713896594257867
Energy: 0.975153229758197
Energy: 1.7713504083547749
Energy: 0.975153229758197
Energy: 2.4816449994950336
Energy: 0.97115537947287
Energy: 2.1239157658405152
Energy: 0.9711553794821323
Energy: 2.479181609415462
Energy: 0.9735215071560701
Energy: 2.119447706597724
Energy: 0.9735215071637889
Energy: 2.4848836674369887
Energy: 1.07799132486046
Energy: 2.4805125346784123
Energy: 1.0779913248596884
Energy: 2.1269981982778097
Energy: 1.0739784587701406
Energy: 2.1278511069714705
Energy: 1.07397845876165
Energy: 1.7604776629396648
Energy: 0.972793377398889
Energy: 2.4874140184134745
Energy: 0.9727933774035202
Energy: 1.7586516506778247
Energy: 0.9717433722539365
Energy: 2.4849532453170347
Energy: 0.9717433722531645
Energy: 1.3715741978526994
Energy: 0.9734450033799493
Energy: 2.477651298751383
Energy: 0.9734450033745461
Energy: 1.3698520647903825
Energy: 0.9721140763805296
Energy: 2.4844972491006105
Energy: 0.9721140763813015
Energy: 1.3661826731446753
Energy: 0.9717586940588155
Energy: 2.484628965907589
Energy: 0.9717586940588155
Energy: 0.9783168627753008
Energy: 0.9732002438861338
Energy: 2.4773310916732547
Energy: 0.9732002438869055
Energy: 0.9755804623799845
Energy: 0.9737501294511829
Energy: 2.4817789154283076
Energy: 0.9737501294504108
Energy: 0.9758447894825147
Energy: 0.9731766688433944
Energy: 2.4720098329473483
Energy: 0.9731766688418505
Energy: 1.3689958910722042
Energy: 0.9727910455189954
Energy: 2.471849103802084
Energy: 0.972791045521311
Energy: 1.3712290028335614
Energy: 0.9725066343635916
Energy: 2.480718464398375
Energy: 0.9725066343628199
Energy: 1.3684501851128805
Energy: 0.9736533381648793
Energy: 2.483460866120692
Energy: 0.9736533381679667
Energy: 2.117980812108514
Energy: 0.9730612590268181
Energy: 2.4799657397790065
Energy: 0.9730612590268181
Energy: 2.1168506524775963
Energy: 0.9729489364812206
Energy: 2.4808416807658014
Energy: 0.9729489364812206
Energy: 2.1190961001975475
Energy: 1.0731019715805192
Energy: 2.48833567206348
Energy: 1.0731019715782386
Energy: 2.4889252820611865
Energy: 1.073632678755572
Energy: 2.4757159039423877
Energy: 1.0736326787540282
Energy: 2.1275459973693147
Energy: 1.074153188652146
Energy: 2.1182467521700996
Energy: 1.074153188675267
Energy: 2.481914812097764
Energy: 0.9722005424924716
Energy: 1.7693143623577237
Energy: 0.9722005424924716
Energy: 2.484167344500715
Energy: 0.972667820661628
Energy: 2.1165873815365956
Energy: 0.9726678206623999
Energy: 2.4782719285539208
Energy: 0.9726891624237956
Energy: 1.367968839928633
Energy: 0.9726891624261111
Energy: 2.480320512525156
Energy: 0.9743346754696081
Energy: 1.372118065830603
Energy: 0.9743346754703799
Energy: 2.477727816010203
Energy: 0.9724609353059833
Energy: 1.3686685895280724
Energy: 0.9724609353067551
Energy: 2.4876533568618893
Energy: 0.9746226331975179
Energy: 0.9765357283537762
Energy: 0.9746226331944303
Energy: 2.481680944109666
Energy: 0.9734330438766549
Energy: 0.9750535115998259
Energy: 0.9734330438766549
Energy: 2.4717853101082734
Energy: 0.9753833777159719
Energy: 0.978077411287181
Energy: 0.9753833777159719

minimum gb energy = 0.97115537947287 eV
minimum distance =  2.30058905301636 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 2.808271466415426
Energy: 0.8840483989862951
Energy: 1.3585327680085586
Energy: 0.8869225813822081
Energy: 2.7851325765613133
Energy: 0.8813443417042642
Energy: 1.2189988486808971
Energy: 0.8813443417068798
Energy: 2.8034040784093537
Energy: 0.8812583645859575
Energy: 1.2196745891829426
Energy: 0.8812583645859575
Energy: 2.8010852856428214
Energy: 0.8809280062019291
Energy: 1.8788099298098362
Energy: 0.8809280062006213
Energy: 2.7916047219905096
Energy: 0.8790249945484309
Energy: 1.8734824204953253
Energy: 0.8790249945477769
Energy: 2.7924268648351354
Energy: 0.8809358644981332
Energy: 1.8672008229779027
Energy: 0.8809358645262503
Energy: 2.1824671870800865
Energy: 0.8807003654361214
Energy: 2.4830005209343597
Energy: 0.8807003654361214
Energy: 2.487990078423611
Energy: 0.9735236207384029
Energy: 1.8778479483780892
Energy: 0.9735236207351337
Energy: 2.1814543267541797
Energy: 0.9669548923804954
Energy: 2.4816999618143525
Energy: 0.9669548923844187
Energy: 2.1788640059851145
Energy: 0.9667705825830832
Energy: 2.7936531835108163
Energy: 0.9667705825850449
Energy: 1.8762533440523124
Energy: 0.8817001763015867
Energy: 2.500009232732754
Energy: 0.8817001763217976
Energy: 1.5625695764303607
Energy: 0.8791191727212103
Energy: 2.7956744865337093
Energy: 0.8791191727552121
Energy: 1.8689814336386605
Energy: 0.8793267644771626
Energy: 2.7998916665267135
Energy: 0.879326764479065
Energy: 1.2237111610996387
Energy: 0.8809238588942855
Energy: 2.4944139089006865
Energy: 0.8809238589060553
Energy: 1.2230646037504715
Energy: 0.8802220241827194
Energy: 2.790683568499644
Energy: 0.8802220241853349
Energy: 1.2257050222694728
Energy: 0.8825978693489768
Energy: 2.8021582556378464
Energy: 0.8825978693496306
Energy: 0.8850965174687757
Energy: 0.8811718370910059
Energy: 2.800341103190202
Energy: 0.8811718370916598
Energy: 0.8821997343253812
Energy: 0.8797681967906751
Energy: 2.791587563704226
Energy: 0.8797681967893674
Energy: 0.8839548107074184
Energy: 0.8810895905933321
Energy: 2.793660217732317
Energy: 0.8810895905933321
Energy: 1.2256113953301657
Energy: 0.8803980260746264
Energy: 2.783499683309933
Energy: 0.8803980260746264
Energy: 1.2239065440646877
Energy: 0.8800465372229533
Energy: 2.791685962741568
Energy: 0.8800465372209917
Energy: 1.225619340498949
Energy: 0.8804600275284187
Energy: 2.8005150982054268
Energy: 0.8804600275310341
Energy: 1.8680590733468008
Energy: 0.8801641870444237
Energy: 2.788311541623804
Energy: 0.8801641870496546
Energy: 1.875474936209878
Energy: 0.8793495582694637
Energy: 2.7944540593906178
Energy: 0.8793495582714254
Energy: 1.8776685871269734
Energy: 0.883549784029756
Energy: 2.189663960776384
Energy: 0.8835497840329659
Energy: 2.4867380440413753
Energy: 0.9664337134215567
Energy: 2.795804909318756
Energy: 0.9664337134326728
Energy: 1.8714689636112447
Energy: 0.967625123747755
Energy: 2.4830742766402323
Energy: 0.9676251237425239
Energy: 2.489290634720677
Energy: 0.9743079451967614
Energy: 2.1896634804545085
Energy: 0.9743079451967614
Energy: 2.4890911704442065
Energy: 0.8801537629638895
Energy: 2.4846261016250812
Energy: 0.8801537629665052
Energy: 2.485943070297922
Energy: 0.8815854696501
Energy: 1.8690465186880396
Energy: 0.8815854696429072
Energy: 2.79242227757673
Energy: 0.8788498113802463
Energy: 1.5623071653598777
Energy: 0.8788498113802463
Energy: 2.4933191982355076
Energy: 0.8837330918053208
Energy: 1.8768648890784756
Energy: 0.8837330918059747
Energy: 2.8000709112299167
Energy: 0.8809899791753331
Energy: 1.220387766588416
Energy: 0.8809899791740252
Energy: 2.7948093693956553
Energy: 0.880719890437433
Energy: 1.2205862979360027
Energy: 0.8807198904380868
Energy: 2.785139129615881
Energy: 0.8807951914025594
Energy: 0.8888360648881458
Energy: 0.8807951914032134
Energy: 2.793629994939395
Energy: 0.8811924019206807
Energy: 0.8831599454253388
Energy: 0.8811924019180651
Energy: 2.7989665383625897
Energy: 0.8825301096498526
Energy: 0.8844515531527297
Energy: 0.8825301096518143

minimum gb energy = 0.8788498113802463 eV
minimum distance =  2.30561838407627 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 3.0404312491356924
Energy: 0.6710443711612449
Energy: 0.7887387993590285
Energy: 0.7871678303717117
Energy: 2.996555146947174
Energy: 0.7853568289918488
Energy: 1.0858341804806593
Energy: 0.7853568289918488
Energy: 2.9971889394504894
Energy: 0.7850649262541239
Energy: 1.0860263871501852
Energy: 0.7850649262541239
Energy: 2.4634814618155354
Energy: 0.7881723047596496
Energy: 1.6596706892975905
Energy: 0.7881723047585154
Energy: 3.002645167539787
Energy: 0.7839343708737869
Energy: 1.6631137448274196
Energy: 0.7839343708749211
Energy: 2.470934361322633
Energy: 0.7863856573332418
Energy: 1.6595821738186693
Energy: 0.786385657333809
Energy: 2.4659903073407152
Energy: 0.7859658669092653
Energy: 2.2067471012364743
Energy: 0.7859658669092653
Energy: 2.741516588784009
Energy: 0.784799650073247
Energy: 1.6543921775871453
Energy: 0.784799650077784
Energy: 2.4688245473337647
Energy: 0.7850005183809055
Energy: 2.2013156853808398
Energy: 0.7850005183826069
Energy: 2.475824054903398
Energy: 0.9393934648013365
Energy: 2.7329483226602225
Energy: 0.9393934648030379
Energy: 2.209680060362618
Energy: 0.9381063090093051
Energy: 2.1983499751636986
Energy: 0.9381063090093051
Energy: 1.936553721950087
Energy: 0.7850509013535641
Energy: 2.7331201383666106
Energy: 0.7850509012804321
Energy: 2.20166437689264
Energy: 0.7847499028873868
Energy: 2.73419297527679
Energy: 0.7847499028873868
Energy: 1.6678140962644756
Energy: 0.7869196048587389
Energy: 2.1954804322632904
Energy: 0.7869196048564706
Energy: 1.3884969361544812
Energy: 0.7844276720407891
Energy: 3.001213465978154
Energy: 0.7844276720407891
Energy: 1.6618100922407397
Energy: 0.7869973801467578
Energy: 2.7358418896840186
Energy: 0.7869973801490262
Energy: 1.0940087491935149
Energy: 0.7877482547292021
Energy: 2.7298807697934464
Energy: 0.7877482547297692
Energy: 1.0902140528766113
Energy: 0.7855852884112702
Energy: 3.0006513803097103
Energy: 0.7855852884112702
Energy: 1.0893631117247502
Energy: 0.787691572087352
Energy: 2.992710410881794
Energy: 0.787691572087352
Energy: 0.7869696961452339
Energy: 0.7862381733138971
Energy: 2.992593966779717
Energy: 0.7862381733138971
Energy: 0.7860850413597409
Energy: 0.7850662015061118
Energy: 3.0024094227369607
Energy: 0.7850662015055447
Energy: 0.7885849249348178
Energy: 0.7885651857009559
Energy: 2.9909643819585425
Energy: 0.7885651856992546
Energy: 1.090322776639339
Energy: 0.7865542296855299
Energy: 2.9928934085381775
Energy: 0.7865542296849627
Energy: 1.089632640187668
Energy: 0.784570949957125
Energy: 3.0036122380027983
Energy: 0.7845709499582592
Energy: 1.0902599213852415
Energy: 0.7902056698378002
Energy: 2.463386882486876
Energy: 0.7902056698378002
Energy: 1.6592269191161881
Energy: 0.785997299449058
Energy: 2.9947279951504218
Energy: 0.7859972994479237
Energy: 1.6613762700225492
Energy: 0.7845485167131478
Energy: 2.997613405364595
Energy: 0.7845485167108793
Energy: 1.659149661723673
Energy: 0.7866154235273731
Energy: 2.466330176641666
Energy: 0.7866154235148968
Energy: 2.2087983867492373
Energy: 0.7843142745405263
Energy: 3.004063390475305
Energy: 0.784314274538258
Energy: 2.20383038714024
Energy: 0.7850999656445034
Energy: 2.4707897945318513
Energy: 0.7850999656762617
Energy: 2.4771512322951317
Energy: 0.9384492356978144
Energy: 1.9330774532624964
Energy: 0.9384492357102908
Energy: 2.198238754978657
Energy: 0.9381903819926943
Energy: 2.4769623164313197
Energy: 0.9381903820102492
Energy: 2.737041465182042
Energy: 0.7849521530503514
Energy: 1.9303267294781123
Energy: 0.7849521530333379
Energy: 3.0043927033967246
Energy: 0.7841639321703541
Energy: 1.9323829426869086
Energy: 0.7841639321737567
Energy: 2.194921233071759
Energy: 0.787121916691376
Energy: 1.658999440192483
Energy: 0.7871219166947787
Energy: 3.0072633662942216
Energy: 0.7843506799417941
Energy: 1.661806449369893
Energy: 0.7843506799400928
Energy: 2.9955004548776727
Energy: 0.78650936937638
Energy: 1.658920534328679
Energy: 0.7865093693752457
Energy: 2.730250651116482
Energy: 0.7890762235184715
Energy: 1.0908486558950667
Energy: 0.7890762235201728
Energy: 3.004178799059029
Energy: 0.7842223543961192
Energy: 1.0884991471023282
Energy: 0.7842223543966863
Energy: 2.992315256418213
Energy: 0.7867019525694816
Energy: 1.090318773716848
Energy: 0.7867019525700487
Energy: 2.727216939878343
Energy: 0.7874822259801545
Energy: 0.788145402264156
Energy: 0.7874822259801545
Energy: 3.0014255976406217
Energy: 0.7846762101866847
Energy: 0.7853952462979937
Energy: 0.7846762101866847
Energy: 2.9906902130959696
Energy: 0.7870402628621835
Energy: 0.7879648106971157
Energy: 0.7870402628621835

minimum gb energy = 0.6710443711612449 eV
minimum distance =  2.29968351231952 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.016757652813545916
Energy: 0.01846840695777894
Energy: 2.695670166990141
Energy: 0.6950289218489372
Energy: 0.017826693860248412
Energy: 0.18664422648079473
Energy: 2.1490902000860035
Energy: 0.1866442264820542
Energy: 0.017663455193176164
Energy: 0.18453922021167518
Energy: 2.155074869956811
Energy: 0.1845392202121111
Energy: 0.01911037161563864
Energy: 0.18736205090827238
Energy: 2.155874576811623
Energy: 0.18736205090827238
Energy: 2.159707134014089
Energy: 0.18666181838059986
Energy: 2.160097511988983
Energy: 0.1866618183801639
Energy: 0.01753028279307988
Energy: 0.18368468411072628
Energy: 2.152904648922818
Energy: 0.18368468411072628

minimum gb energy = 0.016757652813545916 eV
minimum distance =  2.53766765511074 Angstroms
sigma value = 1