Model name: model_name=Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645762205124
cohesive_energy=4.29054709470667
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.013215405641043725
Energy: 0.013778709386659774
Energy: 0.5542287491518427
Energy: 0.013778709386659774
Energy: 0.013215405641043725
Energy: 0.013778709386659774
Energy: 0.013778709386659774
Energy: 2.552977955555572
Energy: 0.013778709386659774
Energy: 3.2051352312602672
Energy: 0.013778709386659774
Energy: 2.552977955555072
Energy: 0.5542287491518427
Energy: 0.013778709386659774
Energy: 0.013215405641043725
Energy: 0.013778709386659774
Energy: 0.5542287491518427
Energy: 0.013778709386659774
Energy: 0.013778709386659774
Energy: 3.2051352312602672
Energy: 0.013778709386659774
Energy: 2.924887939045608
Energy: 0.013778709386659774
Energy: 2.552977955555572
Energy: 0.013215405641043725
Energy: 0.013778709386659774
Energy: 0.5542287491518427
Energy: 0.013778709386659774
Energy: 0.013215405641043725
Energy: 0.013778709386659774
Energy: 0.013778709386659774
Energy: 2.552977955555572
Energy: 0.013778709386659774
Energy: 2.552977955555572
Energy: 0.013778709386659774
Energy: 2.552977955555572

minimum gb energy = 0.013215405641043725 eV
minimum distance =  2.39144345175333 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.2973476491423912
Energy: 1.2738052901020651
Energy: 1.2747209368452397
Energy: 1.2738052901020651
Energy: 1.2973476491423912
Energy: 1.2738052901020651
Energy: 1.2580888349872006
Energy: 1.2533667613740995
Energy: 1.2042252894779446
Energy: 1.2533667613740995
Energy: 1.2580888349872006
Energy: 1.2533667613740995
Energy: 1.2125419201415681
Energy: 1.253125815095984
Energy: 1.2903466749804369
Energy: 1.253125815095984
Energy: 1.2125419201415681
Energy: 1.253125815095984
Energy: 1.3609057869260937
Energy: 1.2338082851356411
Energy: 1.2105216059654165
Energy: 1.2338082851356411
Energy: 1.3609057869260937
Energy: 1.2338082851356411
Energy: 1.320336219779483
Energy: 1.2745376601107807
Energy: 1.2573639720000733
Energy: 1.2745376601107807
Energy: 1.320336219779483
Energy: 1.2745376601107807
Energy: 1.2903394639076695
Energy: 1.2526222105890212
Energy: 1.219918985563388
Energy: 1.2526222105902243
Energy: 1.2903394639076695
Energy: 1.2526222105902243
Energy: 1.2904590651361383
Energy: 1.2528333037948163
Energy: 1.2159664765630394
Energy: 1.2528333037948163
Energy: 1.2904590651361383
Energy: 1.2528333037948163
Energy: 1.3483074166342033
Energy: 1.274452761164502
Energy: 1.1996551803043731
Energy: 1.274452761164502
Energy: 1.3483074166342033
Energy: 1.274452761164502
Energy: 1.3575695208135123
Energy: 1.2338333408855378
Energy: 1.2089114987628882
Energy: 1.2338333408855378
Energy: 1.3575695208135123
Energy: 1.2338333408855378
Energy: 1.2928806780444746
Energy: 1.2530673584722296
Energy: 1.2197881331782376
Energy: 1.2530673584710268
Energy: 1.2928806780432716
Energy: 1.2530673584710268
Energy: 1.2182009461668477
Energy: 1.2433016387662552
Energy: 1.2715127739952592
Energy: 1.2433016387662552
Energy: 1.2182009461668477
Energy: 1.2433016387662552
Energy: 1.2012992403581804
Energy: 1.2742136970734677
Energy: 1.201285321713986
Energy: 1.2742136970734677
Energy: 1.2012992403581804
Energy: 1.2742136970734677
Energy: 1.2713041532583482
Energy: 1.2433016387650524
Energy: 1.2538197838060507
Energy: 1.2433016387662552
Energy: 1.271304153259551
Energy: 1.2433016387650524
Energy: 1.2197866776481106
Energy: 1.253069032981189
Energy: 1.2927982556541988
Energy: 1.253069032981189
Energy: 1.2197866776481106
Energy: 1.253069032981189
Energy: 1.2090832036793306
Energy: 1.2338286261805058
Energy: 1.357608915699485
Energy: 1.2338286261805058
Energy: 1.2090832036793306
Energy: 1.2338286261805058
Energy: 1.199823092342357
Energy: 1.274782158890806
Energy: 1.3483397944247362
Energy: 1.274782158890806
Energy: 1.199823092342357
Energy: 1.274782158890806
Energy: 1.2172787571244854
Energy: 1.2530310215486435
Energy: 1.290068960115848
Energy: 1.2530310215474405
Energy: 1.2172787571244854
Energy: 1.2530310215486435
Energy: 1.2200425457061292
Energy: 1.252623402290934
Energy: 1.2904129796105566
Energy: 1.2526234022921365
Energy: 1.2200425457061292
Energy: 1.2526234022921365
Energy: 1.328265378451756
Energy: 1.2745774746578575
Energy: 1.3203752409371936
Energy: 1.2745774746578575
Energy: 1.328265378451756
Energy: 1.2745774746578575
Energy: 1.210576456980635
Energy: 1.2338166287565149
Energy: 1.3609022774554584
Energy: 1.2338166287553118
Energy: 1.210576456980635
Energy: 1.2338166287553118
Energy: 1.2903012299273353
Energy: 1.2531182878025722
Energy: 1.2125517559495587
Energy: 1.2531182878025722
Energy: 1.2903012299273353
Energy: 1.2531182878025722
Energy: 1.2037665134012956
Energy: 1.2533891253624625
Energy: 1.2582559339202708
Energy: 1.2533891253624625
Energy: 1.2037665134000928
Energy: 1.2533891253624625
Energy: 1.297567196681566
Energy: 1.2738052901020651
Energy: 1.2973476491423912
Energy: 1.2738052901020651
Energy: 1.297567196681566
Energy: 1.2738052901020651

minimum gb energy = 1.1996551803043731 eV
minimum distance =  2.28706299289793 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.8645884218390598
Energy: 1.3509089053311953
Energy: 1.3066595596293613
Energy: 1.3509089053311953
Energy: 1.8645884218390598
Energy: 1.3509089053311953
Energy: 1.3313824995454797
Energy: 1.3153317390084276
Energy: 1.2818588064930085
Energy: 1.3153317390084276
Energy: 1.3313824995454797
Energy: 1.3153317390084276
Energy: 1.2625019655715617
Energy: 1.3417835045986988
Energy: 1.3842528331275057
Energy: 1.3417835045986988
Energy: 1.2625019655715617
Energy: 1.3417835045986988
Energy: 1.3258078251359453
Energy: 1.308601610877467
Energy: 1.4282884005446466
Energy: 1.308601610877467
Energy: 1.3258078251359453
Energy: 1.3086016108781513
Energy: 1.324681974124034
Energy: 1.3205946106345443
Energy: 1.3861164325055357
Energy: 1.3205946106345443
Energy: 1.32468197412335
Energy: 1.3205946106345443
Energy: 1.2922608496675416
Energy: 1.3268655391094704
Energy: 1.2763057773619257
Energy: 1.3268655391101547
Energy: 1.2922608496668573
Energy: 1.3268655391094704
Energy: 1.2949213870950658
Energy: 1.326874267027234
Energy: 1.3119235051221079
Energy: 1.326874267027234
Energy: 1.2949213870950658
Energy: 1.326874267027234
Energy: 1.2901335923842487
Energy: 1.3258386296780653
Energy: 1.2792117790092739
Energy: 1.3258386296780653
Energy: 1.2901335923842487
Energy: 1.3258386296780653
Energy: 1.2936768357650161
Energy: 1.3041093955240037
Energy: 1.2794800384928886
Energy: 1.304109395524688
Energy: 1.2936768357650161
Energy: 1.3041093955240037
Energy: 1.3186045223999363
Energy: 1.3419446105058186
Energy: 1.3245589169085976
Energy: 1.341944610505134
Energy: 1.318604522399252
Energy: 1.341944610505134
Energy: 1.2775342558019824
Energy: 1.3957533960390884
Energy: 1.2933465701269393
Energy: 1.3957533960390884
Energy: 1.2775342558019824
Energy: 1.3957533960397726
Energy: 1.5054547629278276
Energy: 1.3283904925830827
Energy: 1.3237636378714683
Energy: 1.3283904925830827
Energy: 1.5054547629278276
Energy: 1.3283904925830827
Energy: 1.4312187410694304
Energy: 1.3105022054733337
Energy: 1.3038612390945523
Energy: 1.3105022054733337
Energy: 1.4312187410694304
Energy: 1.3105022054733337
Energy: 1.298172931965586
Energy: 1.3414309285596875
Energy: 1.291444162380729
Energy: 1.3414309285596875
Energy: 1.298172931965586
Energy: 1.3414309285596875
Energy: 1.3842149956883998
Energy: 1.3278817404175975
Energy: 1.3441879538420283
Energy: 1.3278817404175975
Energy: 1.3842149956883998
Energy: 1.3278817404175975
Energy: 1.3845816042592434
Energy: 1.327746367021635
Energy: 1.3113574080189072
Energy: 1.327746367021635
Energy: 1.3845816042585595
Energy: 1.327746367021635
Energy: 1.3942396086865454
Energy: 1.321562862369288
Energy: 1.3243796088539017
Energy: 1.3215628623699722
Energy: 1.3942396086872297
Energy: 1.321562862369288
Energy: 1.4176793050625252
Energy: 1.3164803600439
Energy: 1.406556361721597
Energy: 1.3164803600439
Energy: 1.4176793050625252
Energy: 1.3164803600439
Energy: 1.276033985662952
Energy: 1.3257573730307333
Energy: 1.2791673863125959
Energy: 1.3257573730307333
Energy: 1.276033985662952
Energy: 1.3257573730307333
Energy: 1.2822235268954612
Energy: 1.303978306143517
Energy: 1.2940487578151258
Energy: 1.303978306143517
Energy: 1.2822235268961453
Energy: 1.303978306143517
Energy: 1.5044504242759333
Energy: 1.3520560991074964
Energy: 1.2923803146849806
Energy: 1.3520560991074964
Energy: 1.5044504242759333
Energy: 1.3520560991074964
Energy: 1.2984374902547522
Energy: 1.3196361019916942
Energy: 1.3243590151148028
Energy: 1.3196361019916942
Energy: 1.2984374902547522
Energy: 1.3196361019916942
Energy: 1.3241200157389255
Energy: 1.3215061408266058
Energy: 1.4297926647452244
Energy: 1.3215061408266058
Energy: 1.3241200157389255
Energy: 1.3215061408266058
Energy: 1.4539219597072617
Energy: 1.3156510803674355
Energy: 1.2821778341751096
Energy: 1.3156510803667512
Energy: 1.4539219597072617
Energy: 1.3156510803674355
Energy: 1.3437163121082563
Energy: 1.3291905581293468
Energy: 1.3841185461389287
Energy: 1.3291905581293468
Energy: 1.3437163121082563
Energy: 1.3291905581293468
Energy: 1.3266131242987502
Energy: 1.3502308096552984
Energy: 1.2899331126236844
Energy: 1.3502308096552984
Energy: 1.3266131242939603
Energy: 1.3502308096552984
Energy: 1.3028940510384757
Energy: 1.3504874175234478
Energy: 1.30110364637062
Energy: 1.3504874175234478
Energy: 1.3028940510432654
Energy: 1.3504874175234478
Energy: 1.3441688768802176
Energy: 1.3293502618832236
Energy: 1.384173021732183
Energy: 1.3293502618832236
Energy: 1.3441688768802176
Energy: 1.3293502618832236
Energy: 1.4555251107805662
Energy: 1.3156992268795695
Energy: 1.2824194136849985
Energy: 1.3156992268795695
Energy: 1.4555251107805662
Energy: 1.3156992268795695
Energy: 1.3240474287254533
Energy: 1.3214016802210076
Energy: 1.3940427042175259
Energy: 1.3214016802210076
Energy: 1.3240474287254533
Energy: 1.3214016802210076
Energy: 1.2768780882220492
Energy: 1.319636101990326
Energy: 1.3862507387941967
Energy: 1.3196361019910101
Energy: 1.2768780882220492
Energy: 1.319636101990326
Energy: 1.5045159921365383
Energy: 1.3519034696757057
Energy: 1.2762358447292284
Energy: 1.3519034696757057
Energy: 1.5045159921365383
Energy: 1.3519034696757057
Energy: 1.2825656623225172
Energy: 1.3040893385823322
Energy: 1.3860751205192032
Energy: 1.304089338581648
Energy: 1.2825656623225172
Energy: 1.304089338581648
Energy: 1.276052971138934
Energy: 1.3257779958324876
Energy: 1.3219413652983627
Energy: 1.3257779958331717
Energy: 1.276052971138934
Energy: 1.3257779958324876
Energy: 1.3941864385585339
Energy: 1.3163779609099875
Energy: 1.3900763810132508
Energy: 1.3163779609099875
Energy: 1.3941864385585339
Energy: 1.3163779609099875
Energy: 1.3939700636490016
Energy: 1.3217616650450574
Energy: 1.3242409165011553
Energy: 1.3217616650450574
Energy: 1.3939700636490016
Energy: 1.3217616650450574
Energy: 1.384135642006808
Energy: 1.3280683476884059
Energy: 1.343461068069965
Energy: 1.3280683476884059
Energy: 1.384135642006808
Energy: 1.3280683476884059
Energy: 1.384110168096398
Energy: 1.3278537701439848
Energy: 1.435522351782961
Energy: 1.3278537701439848
Energy: 1.384110168096398
Energy: 1.3278537701439848
Energy: 1.328487331447136
Energy: 1.3411904687322938
Energy: 1.291435866949001
Energy: 1.3411904687322938
Energy: 1.3284873314464514
Energy: 1.3411904687322938
Energy: 1.4194036228403768
Energy: 1.3105067044702563
Energy: 1.305826281708506
Energy: 1.3105067044702563
Energy: 1.4194036228410611
Energy: 1.3105067044702563
Energy: 1.5054389074872165
Energy: 1.3284174534832154
Energy: 1.3433618975970276
Energy: 1.3284174534832154
Energy: 1.5054389074865322
Energy: 1.3284174534832154

minimum gb energy = 1.2625019655715617 eV
minimum distance =  2.25993400229207 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.7272722496785722
Energy: 1.42501962037735
Energy: 1.2854758581256178
Energy: 1.42501962037735
Energy: 1.7272722496785722
Energy: 1.42501962037735
Energy: 1.3567057846597594
Energy: 1.3601537301367552
Energy: 1.510545039387318
Energy: 1.3601537301367552
Energy: 1.3567057846597594
Energy: 1.3601537301367552
Energy: 1.323331407585984
Energy: 1.3610084969466965
Energy: 1.4496619350962854
Energy: 1.3610084969466965
Energy: 1.323331407585984
Energy: 1.3610084969466965
Energy: 1.3352117808221344
Energy: 1.3602445473734153
Energy: 1.5106638309006566
Energy: 1.3602445473734153
Energy: 1.3352117808221344
Energy: 1.3602445473734153
Energy: 1.3361114074955853
Energy: 1.361141124827105
Energy: 1.4238608021130739
Energy: 1.361141124827105
Energy: 1.3361114074955853
Energy: 1.361141124827105
Energy: 1.5183887812928922
Energy: 1.3133279690395232
Energy: 1.5015659410730942
Energy: 1.3133279690395232
Energy: 1.5183887812913068
Energy: 1.3133279690395232
Energy: 1.5185038600809684
Energy: 1.316484445639917
Energy: 1.4922453487397287
Energy: 1.316484445639917
Energy: 1.5185038600825538
Energy: 1.316484445639917
Energy: 1.3356336554676989
Energy: 1.359985757036931
Energy: 1.314542805916885
Energy: 1.359985757036931
Energy: 1.3356336554676989
Energy: 1.359985757036931
Energy: 1.5183589433701903
Energy: 1.4060655911954447
Energy: 1.2801173238639942
Energy: 1.4060655911954447
Energy: 1.5183589433701903
Energy: 1.4060655911954447
Energy: 1.3243070898065157
Energy: 1.3618622317923923
Energy: 1.314244757264507
Energy: 1.3618622317923923
Energy: 1.3243070898065157
Energy: 1.3618622317923923
Energy: 1.5322237282163735
Energy: 1.3441137253967175
Energy: 1.5166539661028957
Energy: 1.3441137253967175
Energy: 1.5322237282163735
Energy: 1.3441137253967175
Energy: 1.4825859631019846
Energy: 1.4253352443982017
Energy: 1.501553802273928
Energy: 1.4253352443982017
Energy: 1.4825859631019846
Energy: 1.4253352443982017
Energy: 1.4563501580785447
Energy: 1.3602077114720459
Energy: 1.510421947796607
Energy: 1.3602077114720459
Energy: 1.4563501580785447
Energy: 1.3602077114720459
Energy: 1.3241356988856063
Energy: 1.3615505410161226
Energy: 1.5114745730880939
Energy: 1.3615505410145374
Energy: 1.3241356988856063
Energy: 1.3615505410161226
Energy: 1.3231563638261665
Energy: 1.3661178048866387
Energy: 1.510602434379053
Energy: 1.3661178048866387
Energy: 1.3231563638261665
Energy: 1.3661178048866387
Energy: 1.3345891235029477
Energy: 1.3623774234945447
Energy: 1.5115010551171824
Energy: 1.3623774234945447
Energy: 1.3345891235029477
Energy: 1.3623774234945447
Energy: 1.5181258569206546
Energy: 1.366418753466019
Energy: 1.501298014064273
Energy: 1.366418753466019
Energy: 1.5181258569206546
Energy: 1.366418753466019
Energy: 1.5184888757866317
Energy: 1.319229363806251
Energy: 1.4923463938622399
Energy: 1.319229363806251
Energy: 1.5184888757866317
Energy: 1.319229363806251

minimum gb energy = 1.2801173238639942 eV
minimum distance =  2.25064032969931 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.651326117410668
Energy: 1.4219067313117115
Energy: 1.421590499367729
Energy: 1.4219067313117115
Energy: 1.651326117410668
Energy: 1.4219067313117115
Energy: 1.313774542918825
Energy: 1.4051026567491582
Energy: 1.33786493963148
Energy: 1.4051026567491582
Energy: 1.313774542918825
Energy: 1.4051026567491582
Energy: 1.2807718850776493
Energy: 1.4157389898315214
Energy: 1.4397993925011214
Energy: 1.4157389898315214
Energy: 1.2807718850776493
Energy: 1.4157389898315214
Energy: 1.3467957773233787
Energy: 1.389949150128964
Energy: 1.3377014316971458
Energy: 1.389949150128964
Energy: 1.3467957773233787
Energy: 1.389949150128964
Energy: 1.3143217478050224
Energy: 1.422104593508502
Energy: 1.3175003454854115
Energy: 1.422104593508502
Energy: 1.3143217478050224
Energy: 1.422104593508502
Energy: 1.4554867329963483
Energy: 1.4220960201390391
Energy: 1.3143068542117966
Energy: 1.4220960201390391
Energy: 1.4554867329963483
Energy: 1.4220960201390391
Energy: 1.337753730187783
Energy: 1.3899499316710213
Energy: 1.3138396001956907
Energy: 1.3899499316710213
Energy: 1.337753730187783
Energy: 1.3899499316710213
Energy: 1.4398185443406037
Energy: 1.4157435679187371
Energy: 1.2807678199688983
Energy: 1.4157435679187371
Energy: 1.4398185443396634
Energy: 1.4157435679187371
Energy: 1.3379182428659235
Energy: 1.4050574086313667
Energy: 1.2808548108329316
Energy: 1.4050574086313667
Energy: 1.3379182428659235
Energy: 1.4050574086313667
Energy: 1.442928388498907
Energy: 1.4219067313107712
Energy: 1.651326117410668
Energy: 1.4219067313117115
Energy: 1.442928388498907
Energy: 1.4219067313107712
Energy: 1.33786493963148
Energy: 1.4051026567491582
Energy: 1.2807916614546113
Energy: 1.4051026567491582
Energy: 1.33786493963148
Energy: 1.4051026567491582
Energy: 1.4397993925020616
Energy: 1.4157389898315214
Energy: 1.2807718850776493
Energy: 1.4157389898315214
Energy: 1.4397993925011214
Energy: 1.4157389898315214
Energy: 1.3377014316971458
Energy: 1.389949150128964
Energy: 1.3767019338112785
Energy: 1.389949150128964
Energy: 1.3377014316971458
Energy: 1.389949150128964
Energy: 1.3907280037938528
Energy: 1.422104593508502
Energy: 1.3143217478050224
Energy: 1.422104593508502
Energy: 1.390728003794793
Energy: 1.422104593508502
Energy: 1.3143068542108562
Energy: 1.4220960201390391
Energy: 1.337653563448535
Energy: 1.4220960201390391
Energy: 1.3143068542117966
Energy: 1.4220960201390391
Energy: 1.3138396001956907
Energy: 1.3899499316710213
Energy: 1.337753730187783
Energy: 1.3899499316719617
Energy: 1.3138396001956907
Energy: 1.3899499316710213
Energy: 1.2807678199688983
Energy: 1.4157435679187371
Energy: 1.4398185443406037
Energy: 1.4157435679187371
Energy: 1.2807678199688983
Energy: 1.4157435679187371
Energy: 1.2808548108329316
Energy: 1.4050574086313667
Energy: 1.3379182428668637
Energy: 1.4050574086313667
Energy: 1.2808548108329316
Energy: 1.4050574086313667
Energy: 1.651326117410668
Energy: 1.4219067313117115
Energy: 1.442928388498907
Energy: 1.4219067313117115
Energy: 1.651326117410668
Energy: 1.4219067313117115
Energy: 1.2807916614555521
Energy: 1.4051026567491582
Energy: 1.33786493963148
Energy: 1.4051026567491582
Energy: 1.2807916614555521
Energy: 1.4051026567491582
Energy: 1.2807718850776493
Energy: 1.4157389898315214
Energy: 1.4397993925020616
Energy: 1.4157389898315214
Energy: 1.2807718850776493
Energy: 1.4157389898315214
Energy: 1.3767019338112785
Energy: 1.389949150128964
Energy: 1.3377014316971458
Energy: 1.389949150128964
Energy: 1.3767019338103381
Energy: 1.389949150128964
Energy: 1.3143217478050224
Energy: 1.422104593508502
Energy: 1.390728003794793
Energy: 1.422104593508502
Energy: 1.3143217478050224
Energy: 1.422104593508502
Energy: 1.3376535634475943
Energy: 1.4220960201390391
Energy: 1.3143068542108562
Energy: 1.4220960201390391
Energy: 1.337653563448535
Energy: 1.4220960201390391
Energy: 1.337753730187783
Energy: 1.3899499316710213
Energy: 1.3138396001947503
Energy: 1.3899499316719617
Energy: 1.337753730187783
Energy: 1.3899499316710213
Energy: 1.4398185443406037
Energy: 1.4157435679187371
Energy: 1.2807678199688983
Energy: 1.4157435679187371
Energy: 1.4398185443396634
Energy: 1.4157435679187371
Energy: 1.3379182428659235
Energy: 1.4050574086313667
Energy: 1.2808548108329316
Energy: 1.4050574086313667
Energy: 1.3379182428659235
Energy: 1.4050574086313667
Energy: 1.43994180584136
Energy: 1.4219067313107712
Energy: 1.651326117410668
Energy: 1.4219067313117115
Energy: 1.4399418058423004
Energy: 1.4219067313107712
Energy: 1.33786493963148
Energy: 1.4051026567491582
Energy: 1.2807916614546113
Energy: 1.4051026567491582
Energy: 1.33786493963148
Energy: 1.4051026567491582
Energy: 1.4397993925020616
Energy: 1.4157389898315214
Energy: 1.2807718850776493
Energy: 1.4157389898315214
Energy: 1.4397993925020616
Energy: 1.4157389898315214

minimum gb energy = 1.2807678199688983 eV
minimum distance =  2.24529116914656 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.188015191312066
Energy: 1.3344344802486936
Energy: 1.4733252735916962
Energy: 1.3344344802486936
Energy: 1.188015191312066
Energy: 1.3344344802486936
Energy: 1.179583386260898
Energy: 1.3077824461578857
Energy: 1.2093886135761025
Energy: 1.30778244615765
Energy: 1.1795833862611336
Energy: 1.3077824461578857
Energy: 1.2103291721137512
Energy: 1.495355998958091
Energy: 1.211371072115521
Energy: 1.495355998958091
Energy: 1.2103291721139868
Energy: 1.495355998958091
Energy: 1.1849707048473233
Energy: 1.3362834009110285
Energy: 1.2131712044305123
Energy: 1.3362834009110285
Energy: 1.1849707048475586
Energy: 1.3362834009107927
Energy: 1.2367197160425176
Energy: 1.3350362385763925
Energy: 1.2072223843836334
Energy: 1.3350362385766281
Energy: 1.2367197160425176
Energy: 1.3350362385763925
Energy: 1.2095459111270581
Energy: 1.4969119098057246
Energy: 1.209832974282345
Energy: 1.4969119098054888
Energy: 1.209545911127294
Energy: 1.4969119098052535
Energy: 1.210273008775169
Energy: 1.309589539388009
Energy: 1.2097213937597515
Energy: 1.3095895393884804
Energy: 1.2102730087754043
Energy: 1.3095895393882446
Energy: 1.184946961960532
Energy: 1.3354257274787413
Energy: 1.2100400743541153
Energy: 1.335425727478977
Energy: 1.1849469619607678
Energy: 1.3354257274787413
Energy: 1.2096866956375165
Energy: 1.3355456599603472
Energy: 1.1798613462941143
Energy: 1.3355456599601117
Energy: 1.209686695637726
Energy: 1.3355456599601117
Energy: 1.209609363293723
Energy: 1.4953031574431428
Energy: 1.2096118987655518
Energy: 1.4953031574429072
Energy: 1.209609363293723
Energy: 1.4953031574431428
Energy: 1.2106672487701058
Energy: 1.3355109161776475
Energy: 1.2096640297348662
Energy: 1.335510916177412
Energy: 1.2106672487698702
Energy: 1.3355109161776475
Energy: 1.2100582091466217
Energy: 1.33542630696263
Energy: 1.1849379123487223
Energy: 1.3354263069628654
Energy: 1.2100582091466217
Energy: 1.33542630696263

minimum gb energy = 1.179583386260898 eV
minimum distance =  2.26535758795148 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.6603851636989075
Energy: 1.5072483531997471
Energy: 1.3775184514995513
Energy: 1.5072483532003942
Energy: 1.66038516369826
Energy: 1.5072483532003942
Energy: 1.3616231171852016
Energy: 1.451355009329211
Energy: 1.323358088409252
Energy: 1.472035139315555
Energy: 1.3616231171852016
Energy: 1.4513550093285636
Energy: 1.3235796576421397
Energy: 1.4896968220181666
Energy: 1.3235847342707223
Energy: 1.4896968220181666
Energy: 1.3235796576421397
Energy: 1.4896968220181666
Energy: 1.2838353484629654
Energy: 1.4622223494863273
Energy: 1.247503166687607
Energy: 1.4622223494863273
Energy: 1.2838353484629654
Energy: 1.4622223494863273
Energy: 1.2818983921916527
Energy: 1.46114723472033
Energy: 1.2676987096470238
Energy: 1.46114723472033
Energy: 1.2818983921916527
Energy: 1.46114723472033
Energy: 1.2595755256107677
Energy: 1.4075554364427498
Energy: 1.3231138041377066
Energy: 1.4283096783482598
Energy: 1.2595755256107677
Energy: 1.4075554364427498
Energy: 1.4143178317605263
Energy: 1.4753119868787876
Energy: 1.3216395775255536
Energy: 1.4753119868787876
Energy: 1.4143178317605263
Energy: 1.4753119868787876
Energy: 1.4722030345267925
Energy: 1.4623294863323502
Energy: 1.3408496928396922
Energy: 1.4623294863329972
Energy: 1.4722030345267925
Energy: 1.4623294863329972
Energy: 1.3217469978106902
Energy: 1.4178322573570532
Energy: 1.3381388996541361
Energy: 1.4178322573570532
Energy: 1.3217469978113374
Energy: 1.4178322573570532
Energy: 1.4673122537052818
Energy: 1.4904822339662527
Energy: 1.281310503188898
Energy: 1.4904822339656054
Energy: 1.4673122537052818
Energy: 1.4904822339656054
Energy: 1.3191810225391738
Energy: 1.45558797537242
Energy: 1.3233642597439905
Energy: 1.4555879753730672
Energy: 1.319181022539821
Energy: 1.4555879753730672
Energy: 1.3375975365931259
Energy: 1.4623472091620722
Energy: 1.331896210146089
Energy: 1.4623472091620722
Energy: 1.3375975365931259
Energy: 1.4623472091620722
Energy: 1.2578450587260053
Energy: 1.4091741269354345
Energy: 1.2514615228055372
Energy: 1.4091741269354345
Energy: 1.2578450587260053
Energy: 1.4091741269354345
Energy: 1.4146110153109483
Energy: 1.4911554531149782
Energy: 1.2509261642418383
Energy: 1.4911554531149782
Energy: 1.4146110153115954
Energy: 1.4911554531149782
Energy: 1.3397441783755502
Energy: 1.4644650535499062
Energy: 1.3247079522434062
Energy: 1.4644650535492592
Energy: 1.3397441783755502
Energy: 1.4644650535499062
Energy: 1.3479460244372075
Energy: 1.4477274856045501
Energy: 1.3314084105922852
Energy: 1.4477274856045501
Energy: 1.3479460244378545
Energy: 1.4477274856045501
Energy: 1.331180725259654
Energy: 1.4931922688187795
Energy: 1.281653705793532
Energy: 1.4931922688181323
Energy: 1.3311807252603014
Energy: 1.4931922688187795
Energy: 1.2489365760296072
Energy: 1.4074132684073637
Energy: 1.3365171882524223
Energy: 1.4074132684073637
Energy: 1.2489365760296072
Energy: 1.4074132684073637
Energy: 1.3233132112244834
Energy: 1.4947333592268943
Energy: 1.2576031544712403
Energy: 1.494733359226247
Energy: 1.3233132112238362
Energy: 1.4947333592268943
Energy: 1.2578202960116274
Energy: 1.4902890450286508
Energy: 1.257772755744041
Energy: 1.4955063665035115
Energy: 1.2578202960109799
Energy: 1.4955063665041586
Energy: 1.2578257461104903
Energy: 1.4947703549288969
Energy: 1.3238442786284
Energy: 1.4947703549288969
Energy: 1.2578257461104903
Energy: 1.4947703549295441
Energy: 1.3367030505857556
Energy: 1.4074464251484404
Energy: 1.2489591917743872
Energy: 1.4074464251477932
Energy: 1.3367030505857556
Energy: 1.4074464251484404
Energy: 1.281777467451584
Energy: 1.4930229766502963
Energy: 1.3308280311288065
Energy: 1.4930229766502963
Energy: 1.281777467451584
Energy: 1.4930229766502963
Energy: 1.3314055013542367
Energy: 1.4476264706250108
Energy: 1.3480416372023913
Energy: 1.4476264706243638
Energy: 1.331405501354884
Energy: 1.4476264706243638
Energy: 1.3244030056107874
Energy: 1.4644863941829236
Energy: 1.3398984014807547
Energy: 1.4644863941829236
Energy: 1.3244030056107874
Energy: 1.4644863941829236
Energy: 1.2510352940972196
Energy: 1.4911398251534327
Energy: 1.4145871766909537
Energy: 1.4911398251534327
Energy: 1.2510352940972196
Energy: 1.4911398251534327
Energy: 1.2516920361736377
Energy: 1.409203458337928
Energy: 1.2578447695925836
Energy: 1.409203458337928
Energy: 1.2516920361736377
Energy: 1.409203458337928
Energy: 1.3316793127076685
Energy: 1.4623139206624087
Energy: 1.337752255178582
Energy: 1.4623139206624087
Energy: 1.3316793127076685
Energy: 1.4623139206624087
Energy: 1.323427519293628
Energy: 1.4558534909395227
Energy: 1.3248422257704722
Energy: 1.4558534909395227
Energy: 1.323427519293628
Energy: 1.4558534909395227
Energy: 1.2812803438440876
Energy: 1.4906695583055787
Energy: 1.4675615691791064
Energy: 1.4906695583055787
Energy: 1.2812803438440876
Energy: 1.4906695583055787
Energy: 1.3234885558064713
Energy: 1.4178322573570532
Energy: 1.3216738799206416
Energy: 1.4178322573577005
Energy: 1.3234885558064713
Energy: 1.417832257356406
Energy: 1.3409134737233386
Energy: 1.4623244231266115
Energy: 1.472199757043519
Energy: 1.4623244231266115
Energy: 1.3409134737239858
Energy: 1.4623244231266115
Energy: 1.319327032259413
Energy: 1.4753137936312164
Energy: 1.4145725185377656
Energy: 1.4753137936312164
Energy: 1.319327032259413
Energy: 1.4753137936312164
Energy: 1.3232738810104674
Energy: 1.4464531246719494
Energy: 1.259576957005317
Energy: 1.4464531246713022
Energy: 1.3232738810104674
Energy: 1.4464531246719494
Energy: 1.2478767264777397
Energy: 1.4611119461219246
Energy: 1.2818989252543143
Energy: 1.4611119461225717
Energy: 1.247876726478387
Energy: 1.4611119461219246
Energy: 1.2474310059384648
Energy: 1.4622692946985272
Energy: 1.2838219893628375
Energy: 1.4622692946985272
Energy: 1.2474310059384648
Energy: 1.4622692946985272
Energy: 1.323704794923622
Energy: 1.4896615232948909
Energy: 1.3235757108580701
Energy: 1.4896615232948909
Energy: 1.323704794923622
Energy: 1.4896615232948909
Energy: 1.3234079497308209
Energy: 1.4434156421068913
Energy: 1.361313301336812
Energy: 1.4434156421075386
Energy: 1.3234079497301736
Energy: 1.4434156421075386
Energy: 1.3607186136873712
Energy: 1.5072483531997471
Energy: 1.66038516369826
Energy: 1.5072483531997471
Energy: 1.360718613686724
Energy: 1.5072483531997471
Energy: 1.3233580884086047
Energy: 1.4513550093285636
Energy: 1.361623117186496
Energy: 1.4513550093285636
Energy: 1.3233580884086047
Energy: 1.4513550093285636
Energy: 1.3235847342713696
Energy: 1.4896968220175193
Energy: 1.323579657642787
Energy: 1.4896968220181666
Energy: 1.3235847342707223
Energy: 1.4896968220181666
Energy: 1.2475031666882546
Energy: 1.4622223494863273
Energy: 1.2838353484629654
Energy: 1.4622223494863273
Energy: 1.2475031666882546
Energy: 1.4622223494856805
Energy: 1.2860452132693903
Energy: 1.46114723472033
Energy: 1.2818983921916527
Energy: 1.46114723472033
Energy: 1.2860452132693903
Energy: 1.461147234719683

minimum gb energy = 1.2474310059384648 eV
minimum distance =  2.24748793599971 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.38373852287444
Energy: 1.4167425892404808
Energy: 1.3488008961347884
Energy: 1.4167425892404808
Energy: 1.38373852287444
Energy: 1.4167425892404808
Energy: 1.129835658443038
Energy: 1.4178088724495888
Energy: 1.2314376701946996
Energy: 1.4178088724495888
Energy: 1.129835658443038
Energy: 1.4178088724495888
Energy: 1.123130929961396
Energy: 1.3764008790376538
Energy: 1.161604664292335
Energy: 1.3764008790361806
Energy: 1.1231309299628696
Energy: 1.3764008790361806
Energy: 1.1591097633878802
Energy: 1.3945077072454175
Energy: 1.1586351015883376
Energy: 1.394507707243944
Energy: 1.1591097633878802
Energy: 1.3945077072454175
Energy: 1.1595484653659216
Energy: 1.41730093508861
Energy: 1.2332920782196894
Energy: 1.41730093508861
Energy: 1.1595484653644483
Energy: 1.41730093508861
Energy: 1.159216787336202
Energy: 1.3763323436814947
Energy: 1.121248611496091
Energy: 1.3763323436814947
Energy: 1.159216787336202
Energy: 1.3763323436814947
Energy: 1.1592301422080622
Energy: 1.3763582157140677
Energy: 1.1213536774007906
Energy: 1.3763582157140677
Energy: 1.1592301422080622
Energy: 1.3763582157140677
Energy: 1.159547101531637
Energy: 1.417284244030028
Energy: 1.1586514531555236
Energy: 1.417284244030028
Energy: 1.159547101531637
Energy: 1.417284244030028
Energy: 1.159114727138374
Energy: 1.394517324237899
Energy: 1.230388211851862
Energy: 1.394517324236426
Energy: 1.159114727138374
Energy: 1.394517324237899
Energy: 1.1231352531579413
Energy: 1.376432176403938
Energy: 1.1614375113620257
Energy: 1.3764321764024645
Energy: 1.1231352531579413
Energy: 1.3764321764024645
Energy: 1.1297808282524182
Energy: 1.4178088724495888
Energy: 1.1594628892774845
Energy: 1.4178088724495888
Energy: 1.129780828250945
Energy: 1.4178088724495888
Energy: 1.38373852287444
Energy: 1.4167425892404808
Energy: 1.36246893214778
Energy: 1.4167425892404808
Energy: 1.38373852287444
Energy: 1.4167425892404808
Energy: 1.129835658443038
Energy: 1.4178088724495888
Energy: 1.1627400221193045
Energy: 1.4178088724481157
Energy: 1.129835658443038
Energy: 1.4178088724495888
Energy: 1.123130929961396
Energy: 1.3764008790361806
Energy: 1.161604664292335
Energy: 1.3764008790376538
Energy: 1.123130929961396
Energy: 1.3764008790361806
Energy: 1.1591097633878802
Energy: 1.394507707243944
Energy: 1.1586351015883376
Energy: 1.394507707243944
Energy: 1.1591097633878802
Energy: 1.394507707243944
Energy: 1.1595484653659216
Energy: 1.41730093508861
Energy: 1.1315059099382625
Energy: 1.4173009350900836
Energy: 1.1595484653644483
Energy: 1.41730093508861
Energy: 1.159216787336202
Energy: 1.3763323436814947
Energy: 1.121248611496091
Energy: 1.3763323436814947
Energy: 1.159216787336202
Energy: 1.3763323436814947
Energy: 1.1592301422095357
Energy: 1.3763582157140677
Energy: 1.1213536774007906
Energy: 1.3763582157140677
Energy: 1.1592301422080622
Energy: 1.3763582157140677
Energy: 1.159547101531637
Energy: 1.417284244030028
Energy: 1.1586514531555236
Energy: 1.417284244030028
Energy: 1.159547101531637
Energy: 1.417284244030028

minimum gb energy = 1.121248611496091 eV
minimum distance =  2.22901650892601 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.2067452174209392
Energy: 1.3606034303085242
Energy: 1.220283314690616
Energy: 1.3606034303085242
Energy: 1.2067452174209392
Energy: 1.3606034303085242
Energy: 1.0443014675515994
Energy: 1.30548326189671
Energy: 1.0421719065646688
Energy: 1.30548326189671
Energy: 1.044301467553758
Energy: 1.3054832618956311
Energy: 1.205492411333886
Energy: 1.2823733721123278
Energy: 1.1287534981729932
Energy: 1.2823733721112487
Energy: 1.205492411333886
Energy: 1.2823733721123278
Energy: 1.052159929350796
Energy: 1.2787962113110063
Energy: 1.0423379661630576
Energy: 1.2787962113110063
Energy: 1.052159929350796
Energy: 1.2787962113110063
Energy: 1.042766179775635
Energy: 1.3606586584970182
Energy: 1.1112883463051588
Energy: 1.360658658495939
Energy: 1.042766179775635
Energy: 1.360658658495939
Energy: 1.0678629792078418
Energy: 1.3373444489758082
Energy: 1.0421360684837417
Energy: 1.3373444489758082
Energy: 1.0678629792078418
Energy: 1.3373444489758082
Energy: 1.06705443089111
Energy: 1.282955418814883
Energy: 1.0422916503838726
Energy: 1.2829554188138035
Energy: 1.06705443089111
Energy: 1.2829554188138035
Energy: 1.0701711774910794
Energy: 1.3618939729204191
Energy: 1.0533701009830136
Energy: 1.3618939729204191
Energy: 1.0701711774910794
Energy: 1.3618939729204191
Energy: 1.0701502288865348
Energy: 1.360453817997279
Energy: 1.129592912738726
Energy: 1.360453817997279
Energy: 1.0701502288865348
Energy: 1.360453817997279
Energy: 1.0682500263677421
Energy: 1.282334858366154
Energy: 1.0421427792760438
Energy: 1.2823348583650747
Energy: 1.068250026368821
Energy: 1.2823348583650747
Energy: 1.066813414478525
Energy: 1.3359453471388103
Energy: 1.0422008103738696
Energy: 1.3359453471388103
Energy: 1.0668134144796044
Energy: 1.3359453471388103
Energy: 1.0441443537089081
Energy: 1.3619935380817134
Energy: 1.0429741444831464
Energy: 1.3619935380817134
Energy: 1.0441443537089081
Energy: 1.3619935380817134
Energy: 1.0721901015670297
Energy: 1.2801764261274182
Energy: 1.0711108965703355
Energy: 1.2801764261274182
Energy: 1.0721901015659503
Energy: 1.2801764261274182
Energy: 1.0429167941906832
Energy: 1.2827801776098398
Energy: 1.067187635909047
Energy: 1.2827801776098398
Energy: 1.0429167941906832
Energy: 1.2827801776098398
Energy: 1.04439450825412
Energy: 1.3063958919461456
Energy: 1.0422075324060445
Energy: 1.3063958919461456
Energy: 1.0443945082530406
Energy: 1.3063958919461456
Energy: 1.0537309160765131
Energy: 1.3619995859937464
Energy: 1.074360262571134
Energy: 1.3619995859937464
Energy: 1.0537309160765131
Energy: 1.3619995859937464
Energy: 1.051769831379518
Energy: 1.303934229857958
Energy: 1.0706139558604233
Energy: 1.3039342298568788
Energy: 1.0517698313687251
Energy: 1.3039342298590373
Energy: 1.0428240862940354
Energy: 1.2828335214105888
Energy: 1.0954329378592433
Energy: 1.2828335214105888
Energy: 1.0428240862918767
Energy: 1.2828335214105888
Energy: 1.0527680925795255
Energy: 1.2787226731883168
Energy: 1.042151698648927
Energy: 1.2787226731883168
Energy: 1.0527680925784462
Energy: 1.2787226731883168
Energy: 1.0442303635051817
Energy: 1.3614162441197122
Energy: 1.067197594037522
Energy: 1.3614162441197122
Energy: 1.0442303635041026
Energy: 1.3614162441197122
Energy: 1.1303208695478555
Energy: 1.3399944073389447
Energy: 1.0420891953264533
Energy: 1.3399944073389447
Energy: 1.1303208695478555
Energy: 1.3399944073389447
Energy: 1.0683727719070082
Energy: 1.283055229925634
Energy: 1.0425094622794664
Energy: 1.283055229925634
Energy: 1.0683727719070082
Energy: 1.283055229926713
Energy: 1.0725188010331255
Energy: 1.364252673746433
Energy: 1.053416585363723
Energy: 1.3642526737475122
Energy: 1.0725188010331255
Energy: 1.364252673746433
Energy: 1.0445026527059618
Energy: 1.3607754001754417
Energy: 1.0435611563513914
Energy: 1.3607754001754417
Energy: 1.0445026527048826
Energy: 1.3607754001754417
Energy: 1.0720110280383586
Energy: 1.283203006160385
Energy: 1.042108073165524
Energy: 1.283203006161464
Energy: 1.0720110280372794
Energy: 1.283203006161464
Energy: 1.0682884444783545
Energy: 1.336683996673396
Energy: 1.042210873913901
Energy: 1.336683996674475
Energy: 1.0682884444783545
Energy: 1.336683996673396

minimum gb energy = 1.0420891953264533 eV
minimum distance =  2.26162309251102 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.3623525445670248
Energy: 1.2982561046826782
Energy: 1.0302989171146713
Energy: 1.2982561046826782
Energy: 1.3623525445670248
Energy: 1.2982561046826782
Energy: 1.1905546097923367
Energy: 1.2004196465121877
Energy: 0.953850140235164
Energy: 1.2004196465121877
Energy: 1.1905546097914863
Energy: 1.2004196465121877
Energy: 1.0629005844937616
Energy: 1.2449981379184216
Energy: 0.9895439944518829
Energy: 1.2449981379184216
Energy: 1.0629005844937616
Energy: 1.2449981379184216
Energy: 1.1966951359492994
Energy: 1.1679553418430533
Energy: 0.9541576079961612
Energy: 1.167955341843904
Energy: 1.1966951359501499
Energy: 1.1679553418430533
Energy: 1.0712259295094504
Energy: 1.1615614194502122
Energy: 1.0092751667433943
Energy: 1.161561419449361
Energy: 1.071225929510301
Energy: 1.161561419449361
Energy: 1.2117585417545005
Energy: 1.2410866039827286
Energy: 0.9536992183477471
Energy: 1.2410866039827286
Energy: 1.2117585417553511
Energy: 1.2410866039827286
Energy: 0.9547070749251716
Energy: 1.2445528069880059
Energy: 0.954299910116435
Energy: 1.2445528069880059
Energy: 0.9547070749251716
Energy: 1.244552806987155
Energy: 1.2613664397233249
Energy: 1.2582153035505665
Energy: 0.9566932924654454
Energy: 1.2582153035505665
Energy: 1.2613664397241755
Energy: 1.2582153035505665
Energy: 0.9863272118231624
Energy: 1.1621843921417883
Energy: 1.137989479842566
Energy: 1.1621843921417883
Energy: 0.9863272118231624
Energy: 1.1621843921417883
Energy: 1.2202889172566787
Energy: 1.2462720713080975
Energy: 1.2043914900132464
Energy: 1.2462720713080975
Energy: 1.2202889172566787
Energy: 1.2462720713080975
Energy: 1.2194289640546256
Energy: 1.2444976175381357
Energy: 1.232429528737569
Energy: 1.2444976175389866
Energy: 1.2194289640546256
Energy: 1.2444976175381357
Energy: 0.9890888983933548
Energy: 1.2711132358781079
Energy: 0.9567112872740017
Energy: 1.2578686826310743
Energy: 0.9890888983933548
Energy: 1.2784233418281299
Energy: 0.9862132336656323
Energy: 1.2248005610264605
Energy: 1.1893548948435773
Energy: 1.2248005610264605
Energy: 0.9862132336656323
Energy: 1.2248005610264605
Energy: 0.9572344085760591
Energy: 1.2462157530034927
Energy: 0.9537731891524148
Energy: 1.2462157530034927
Energy: 0.9572344085760591
Energy: 1.2462157530034927
Energy: 1.20829537677179
Energy: 1.245641979493659
Energy: 0.9538802288752093
Energy: 1.245641979493659
Energy: 1.2082953767726408
Energy: 1.245641979493659
Energy: 0.9543246867837659
Energy: 1.2576969458160154
Energy: 0.9541876710983975
Energy: 1.2576969458160154
Energy: 0.9543246867837659
Energy: 1.2783353689978973
Energy: 1.1918685499839659
Energy: 1.2609018202703808
Energy: 0.986138835881924
Energy: 1.2609018202695303
Energy: 1.1918685499848167
Energy: 1.2609018202703808
Energy: 0.9567213337608506
Energy: 1.2463446978707593
Energy: 0.9862978476674608
Energy: 1.2463446978707593
Energy: 0.9567213337608506
Energy: 1.2463446978707593
Energy: 1.1901605234762842
Energy: 1.1934400558945728
Energy: 0.9540874195859158
Energy: 1.1934400558945728
Energy: 1.1901605234762842
Energy: 1.1934400558945728
Energy: 1.204596785863785
Energy: 1.2572141468287226
Energy: 1.1076045612329464
Energy: 1.257214146827872
Energy: 1.204596785863785
Energy: 1.2782726326743186
Energy: 1.2238227300995155
Energy: 1.1971028369556298
Energy: 0.9862152433178991
Energy: 1.1971028369556298
Energy: 1.2238227301003661
Energy: 1.1971028369556298
Energy: 0.9568906709389431
Energy: 1.2462142629958382
Energy: 1.0291485731365593
Energy: 1.2462142629958382
Energy: 0.9568906709389431
Energy: 1.2462142629958382
Energy: 1.2088774836953495
Energy: 1.1650521332912254
Energy: 0.9540733588315146
Energy: 1.1650521332912254
Energy: 1.208877483697051
Energy: 1.1650521332912254
Energy: 0.9541086297571406
Energy: 1.2251805935806883
Energy: 0.9901625238137127
Energy: 1.2251805935806883
Energy: 0.9541086297571406
Energy: 1.2005722348157497
Energy: 1.0979056510911291
Energy: 1.2248845911068524
Energy: 0.953608579643815
Energy: 1.2248845911068524
Energy: 1.0979056510902785
Energy: 1.2248845911068524
Energy: 0.9570282413328024
Energy: 1.1630833583958
Energy: 0.9549471118841248
Energy: 1.1871745420382394
Energy: 0.9570282413328024
Energy: 1.1630833583958
Energy: 1.0569052095536298
Energy: 1.2448367449722486
Energy: 0.9564148257873227
Energy: 1.244836744971398
Energy: 1.0569052095536298
Energy: 1.244836744971398
Energy: 0.9891688548609103
Energy: 1.2250162439258492
Energy: 1.1894393675258106
Energy: 1.2250162439258492
Energy: 0.9891688548609103
Energy: 1.200590719104796
Energy: 1.2184002841506723
Energy: 1.2447985565352764
Energy: 1.204327528609294
Energy: 1.2447985565352764
Energy: 1.2184002841506723
Energy: 1.2447985565352764
Energy: 0.9543155426734314
Energy: 1.1662719816218192
Energy: 1.2599597056104843
Energy: 1.1662719816218192
Energy: 0.954315542674282
Energy: 1.1662719816218192
Energy: 0.9859945572052162
Energy: 1.2447842587874394
Energy: 0.9565293596842102
Energy: 1.2447842587874394
Energy: 0.9859945572052162
Energy: 1.2447842587874394
Energy: 0.9895106473337759
Energy: 1.244249951559139
Energy: 1.1894880308230737
Energy: 1.244249951559139
Energy: 0.9895106473329253
Energy: 1.2442499515599894
Energy: 0.9540316423212049
Energy: 1.2444305034906522
Energy: 0.9536136070624975
Energy: 1.2444305034906522
Energy: 0.9540316423212049
Energy: 1.2444305034906522

minimum gb energy = 0.953608579643815 eV
minimum distance =  2.2506623728777 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.185356729297861
Energy: 1.1144616356091728
Energy: 1.0198610692187406
Energy: 1.1144616356085755
Energy: 1.185356729297861
Energy: 1.1144616356085755
Energy: 1.6246038166601613
Energy: 0.8947423749634138
Energy: 0.8478617020248278
Energy: 0.8947423749663986
Energy: 1.6246038166601613
Energy: 0.8947423749634138
Energy: 1.1255397575207273
Energy: 1.1243326087463754
Energy: 0.9436215389870077
Energy: 1.1243326087463754
Energy: 1.1255397575201307
Energy: 1.1243326087463754
Energy: 1.47788097511389
Energy: 0.8644659187620501
Energy: 0.8476411127636527
Energy: 0.8644659187656322
Energy: 1.477880975113293
Energy: 0.864465918763841
Energy: 0.923555735996272
Energy: 1.1119363888819414
Energy: 0.9270812476713296
Energy: 1.1119363888813443
Energy: 0.923555735995675
Energy: 1.1119363888819414
Energy: 1.3333880109965486
Energy: 1.0772324138782283
Energy: 0.8475411855841131
Energy: 1.0772324138782283
Energy: 1.3333880109965486
Energy: 1.0772324138782283
Energy: 0.9160137562874145
Energy: 1.0757941884422662
Energy: 0.8527966438853681
Energy: 1.0757941884410718
Energy: 0.9160137562874145
Energy: 1.0757941884416689
Energy: 1.1819716280110806
Energy: 1.0795401787802783
Energy: 0.8444996060525742
Energy: 1.0795401787808756
Energy: 1.1819716280116777
Energy: 1.0795401787802783
Energy: 0.8460345795642784
Energy: 1.1062360348818745
Energy: 0.9776899566914738
Energy: 1.1062360348824718
Energy: 0.8460345795642784
Energy: 1.1062360348824718
Energy: 1.0312139806454208
Energy: 1.0977984663169675
Energy: 1.020026066060666
Energy: 1.0977984663169675
Energy: 1.0312139806454208
Energy: 1.0977984663169675
Energy: 0.8481257765338844
Energy: 1.0760159902487452
Energy: 1.0295453536494468
Energy: 1.076015990249342
Energy: 0.8481257765338844
Energy: 1.076015990249342
Energy: 1.3442965340489763
Energy: 1.1142395572540102
Energy: 1.0531794084515094
Energy: 1.114239557253413
Energy: 1.3442965340489763
Energy: 1.1142395572540102
Energy: 1.022572421424179
Energy: 1.1060437573930681
Energy: 1.2604253147107478
Energy: 1.1060437573930681
Energy: 1.0225724214235818
Energy: 1.1060437573924713
Energy: 1.0402389857931011
Energy: 1.1134733570655568
Energy: 1.3388838906482834
Energy: 1.1134733570649602
Energy: 1.0402389857931011
Energy: 1.1134733570655568
Energy: 1.036482743218797
Energy: 1.0759248682759144
Energy: 1.338719627114036
Energy: 1.0759248682759144
Energy: 1.0364827432182
Energy: 1.0759248682753175
Energy: 1.0255237766327867
Energy: 1.1148281566006988
Energy: 1.057974958589558
Energy: 1.1148281566006988
Energy: 1.0255237766321896
Energy: 1.1148281566006988
Energy: 1.0223837569836451
Energy: 1.1005267069106894
Energy: 1.1836233246066306
Energy: 1.1005267069106894
Energy: 1.0223837569842418
Energy: 1.1005267069112863
Energy: 0.8523669948690807
Energy: 1.1130890425150564
Energy: 1.0199294142818325
Energy: 1.1130890425144595
Energy: 0.8523669948696776
Energy: 1.1130890425150564
Energy: 1.0365526710189936
Energy: 1.098742701932774
Energy: 1.0302967289711522
Energy: 1.0987427019333709
Energy: 1.036552671018397
Energy: 1.0987427019333709
Energy: 0.8507924271036282
Energy: 1.114917419433299
Energy: 0.8445428404641443
Energy: 1.114917419433299
Energy: 0.8507924271036282
Energy: 1.114917419433299
Energy: 1.0229350724330697
Energy: 1.0946755799415548
Energy: 0.9406301025705298
Energy: 1.0946755799415548
Energy: 1.0229350724330697
Energy: 1.0946755799409575
Energy: 0.844924981290965
Energy: 1.1130830786812176
Energy: 0.8480533315945261
Energy: 1.1130830786812176
Energy: 0.844924981291562
Energy: 1.1130830786812176
Energy: 1.3388104855093441
Energy: 1.1041524781352308
Energy: 0.8528977020060258
Energy: 1.104152478134634
Energy: 1.3388104855087475
Energy: 1.1041524781352308
Energy: 0.8545780949868361
Energy: 1.1149749267640012
Energy: 0.8477798681328249
Energy: 1.1149749267634042
Energy: 0.8545780949868361
Energy: 1.1149749267640012
Energy: 1.3305990782952242
Energy: 1.095432055234099
Energy: 0.9821281739068374
Energy: 1.095432055234696
Energy: 1.3305990782952242
Energy: 1.095432055234099
Energy: 1.0343253553363798
Energy: 1.112988708693257
Energy: 0.8639175229336664
Energy: 1.11298870869266
Energy: 1.0343253553357827
Energy: 1.11298870869266
Energy: 1.623121967885225
Energy: 0.867776371231641
Energy: 0.8526370924842821
Energy: 0.8677763712304469
Energy: 1.623121967885822
Energy: 0.867776371231044
Energy: 1.0977332957290356
Energy: 1.114536943579006
Energy: 1.0359753311644084
Energy: 1.1145369435784092
Energy: 1.0977332957290356
Energy: 1.1145369435784092
Energy: 1.3357212837736445
Energy: 1.0855844421867855
Energy: 0.9333745474863783
Energy: 1.0855844421873824
Energy: 1.3357212837724504
Energy: 1.0855844421867855
Energy: 1.034024306675869
Energy: 1.1126883766809408
Energy: 1.061901828021001
Energy: 1.1126883766809408
Energy: 1.0340243066752717
Energy: 1.1126883766809408
Energy: 1.3338193906873235
Energy: 0.8674080219751471
Energy: 0.8521697163032024
Energy: 0.8674080219745501
Energy: 1.3338193906891145
Energy: 0.8674080219757442
Energy: 0.8542621181692396
Energy: 1.0961407235349279
Energy: 0.9508245354189291
Energy: 1.0961407235349279
Energy: 0.8542621181692396
Energy: 1.0961407235349279
Energy: 1.1801060191272725
Energy: 1.073550687105698
Energy: 0.850597708169196
Energy: 1.073550687105101
Energy: 1.1801060191278696
Energy: 1.073550687105698
Energy: 0.8447064076472044
Energy: 1.0779489347268945
Energy: 1.1933487328616421
Energy: 1.0779489347262974
Energy: 0.8447064076478015
Energy: 1.0779489347268945
Energy: 1.1942875324125783
Energy: 1.077955230460628
Energy: 0.8445502240278479
Energy: 1.0779552304600308
Energy: 1.1942875324119817
Energy: 1.077955230460628
Energy: 0.8505766330620222
Energy: 1.073752072223999
Energy: 1.1793915747886166
Energy: 1.073752072223999
Energy: 0.8505766330614252
Energy: 1.0737520722234017
Energy: 0.9507298235192002
Energy: 1.0961488824862902
Energy: 0.8542957932973578
Energy: 1.0961488824862902
Energy: 0.950729823518603
Energy: 1.0961488824862902
Energy: 0.8521529367776848
Energy: 0.8669258211463619
Energy: 1.3343472056651646
Energy: 0.8669258211463619
Energy: 0.8521529367776848
Energy: 0.8669258211463619
Energy: 1.0619018280198071
Energy: 1.1126744461151334
Energy: 1.0339022095517525
Energy: 1.1126744461151334
Energy: 1.0619018280198071
Energy: 1.1126744461151334
Energy: 1.025448551023093
Energy: 1.0854767908278427
Energy: 1.336139467343613
Energy: 1.0854767908278427
Energy: 1.025448551023093
Energy: 1.0854767908278427
Energy: 1.0360271009883126
Energy: 1.1145181365880712
Energy: 1.0974986513120877
Energy: 1.1145181365874741
Energy: 1.0360271009877156
Energy: 1.1145181365880712
Energy: 0.8526888311769217
Energy: 0.8645463087662741
Energy: 1.6229219817629466
Energy: 0.864546308766871
Energy: 0.8526888311763248
Energy: 0.8645463087656771
Energy: 0.864073388606395
Energy: 1.112962866009828
Energy: 1.0346056646754835
Energy: 1.1129628660104252
Energy: 0.864073388605798
Energy: 1.112962866009828
Energy: 1.026668344975482
Energy: 1.095479876943013
Energy: 1.3355269678200143
Energy: 1.0954798769436098
Energy: 1.026668344975482
Energy: 1.095479876943013
Energy: 0.8479662927347646
Energy: 1.1149602708227968
Energy: 0.8546028526317188
Energy: 1.1149602708239907
Energy: 0.8479662927353615
Energy: 1.1149602708227968
Energy: 0.8528885980761964
Energy: 1.1041524781322456
Energy: 1.3387747804173447
Energy: 1.1041524781322456
Energy: 0.8528885980761964
Energy: 1.104152478131649
Energy: 0.8477219842963221
Energy: 1.1130923215415096
Energy: 0.8449320041758738
Energy: 1.1130923215421062
Energy: 0.8477219842969191
Energy: 1.1130923215415096

minimum gb energy = 0.8444996060525742 eV
minimum distance =  2.28367785903275 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.2573768145649669
Energy: 0.25805726004510665
Energy: 0.8810294327764865
Energy: 0.25805726004510665
Energy: 0.2573768145649669
Energy: 0.25805726004510665
Energy: 0.26382255428637985
Energy: 0.8032988007812241
Energy: 0.627046402624985
Energy: 0.8032988007812241
Energy: 0.26382255428637985
Energy: 0.8032988007812241
Energy: 0.2573768145649669
Energy: 0.2580572600455147
Energy: 1.397374746717383
Energy: 0.25805726004510665
Energy: 0.2573768145649669
Energy: 0.25805726004510665
Energy: 0.26382255428678797
Energy: 0.8032988007812241
Energy: 0.6270464024881957
Energy: 0.8032988007812241
Energy: 0.26382255428637985
Energy: 0.8032988007812241
Energy: 0.2573768145649669
Energy: 0.25805726004510665
Energy: 1.4592253205766939
Energy: 0.2580572600455147
Energy: 0.2573768145653296
Energy: 0.25805726004510665
Energy: 0.26382255428637985
Energy: 0.8032988007812241
Energy: 0.6270464026126301
Energy: 0.8032988007812241
Energy: 0.26382255428637985
Energy: 0.8032988007812241
Energy: 0.2573768145649669
Energy: 0.25805726004510665
Energy: 1.4592253205691221
Energy: 0.25805726004510665
Energy: 0.2573768145649669
Energy: 0.25805726004510665

minimum gb energy = 0.2573768145649669 eV
minimum distance =  2.4336888608634 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.385758502104222
Energy: 1.087667827674553
Energy: 0.9771574450397631
Energy: 1.087667827674553
Energy: 1.385758502104222
Energy: 1.0876678276740104
Energy: 1.5738211129274013
Energy: 0.8547573386302476
Energy: 0.8386136191476958
Energy: 0.8547573386302476
Energy: 1.5738211129268582
Energy: 0.8547573386297046
Energy: 1.304329409256897
Energy: 1.09937266191511
Energy: 0.967704054471951
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Energy: 0.8322554148310881
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Energy: 1.3347786323997721
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Energy: 1.0943022777361813
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Energy: 1.317331614659793
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Energy: 1.3345333572687588
Energy: 1.0939918000363926
Energy: 0.8428908986991164
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Energy: 1.3345333572693017
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Energy: 1.4504269508465018
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Energy: 1.3097356486233973
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Energy: 1.317877748168782
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Energy: 1.0872351708375034
Energy: 0.8422394184860481
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Energy: 1.0640964089118825
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Energy: 1.3032010375975311
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Energy: 0.8419144013197943
Energy: 1.0941721291488111
Energy: 1.3032010375980743
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Energy: 1.046103948095376
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Energy: 1.0356081027255561
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Energy: 0.8564799648642442
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Energy: 1.068922096364649
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Energy: 1.067782629069989
Energy: 1.030920634401748
Energy: 1.0677826290694463
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Energy: 1.067782629069989
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Energy: 1.041762272979925
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Energy: 1.0362634517432365
Energy: 1.0963671781050386
Energy: 0.8328303579748076
Energy: 0.8503505216378192
Energy: 1.293068094736475
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Energy: 0.8328303579753505
Energy: 0.8503505216372763
Energy: 0.8326409147868112
Energy: 1.0688910215028722
Energy: 1.0594652562889826
Energy: 1.0688910215028722
Energy: 0.8326409147868112
Energy: 1.0688910215023293
Energy: 0.8468627537604555
Energy: 1.0296932684617757
Energy: 1.2963900712572343
Energy: 1.0296932684617757
Energy: 0.8468627537599126
Energy: 1.0296932684617757
Energy: 0.8360136312466652
Energy: 1.0963023636720979
Energy: 1.3101744150705752
Energy: 1.0963023636720979
Energy: 0.8360136312466652
Energy: 1.0963023636720979
Energy: 0.8329405716725822
Energy: 0.8528105511044253
Energy: 1.4402853727390197
Energy: 0.8528105511044253
Energy: 0.8329405716725822
Energy: 0.8528105511055111
Energy: 0.8471317505309562
Energy: 1.1133179049147295
Energy: 1.3359004916358928
Energy: 1.1133179049147295
Energy: 0.8471317505309562
Energy: 1.1133179049147295
Energy: 0.8469333546297223
Energy: 0.8506040943453731
Energy: 1.452239345309695
Energy: 0.8506040943448301
Energy: 0.8469333546302653
Energy: 0.8506040943453731
Energy: 0.8616452517214778
Energy: 1.0962528847392898
Energy: 1.3103486222800405
Energy: 1.096252884738747
Energy: 0.8616452517209349
Energy: 1.096252884738747
Energy: 0.8330838936658769
Energy: 0.8475943073768287
Energy: 1.4398168513215936
Energy: 0.8475943073773716
Energy: 0.8330838936664199
Energy: 0.8475943073773716
Energy: 0.8469054089407099
Energy: 1.0688111607348352
Energy: 1.060714814430857
Energy: 1.068811160734292
Energy: 0.8469054089407099
Energy: 1.0688111607348352
Energy: 0.8508734831453312
Energy: 0.8393188996428319
Energy: 1.1767002961268533
Energy: 0.8393188996428319
Energy: 0.8508734831453312
Energy: 0.8393188996428319
Energy: 1.0440571937696947
Energy: 1.0631512784005033
Energy: 1.0402521683235586
Energy: 1.0631512784005033
Energy: 1.0440571937696947
Energy: 1.0631512784005033

minimum gb energy = 0.8321822107103409 eV
minimum distance =  2.27596103253509 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.354760239182971
Energy: 0.9610245829446755
Energy: 1.0957114285633287
Energy: 0.9610245829454206
Energy: 1.3547602391837161
Energy: 0.9610245829454206
Energy: 1.226204889431645
Energy: 0.9646311150808882
Energy: 0.9275295280265115
Energy: 0.9646311150801431
Energy: 1.2262048894309
Energy: 0.9646311150808882
Energy: 1.3643805475093898
Energy: 0.9363779561405146
Energy: 1.0735123589634992
Energy: 0.9363779561405146
Energy: 1.3643805475093898
Energy: 0.9363779561405146
Energy: 1.2130945641946131
Energy: 0.9294331243643272
Energy: 0.9273003550651625
Energy: 0.9294331243635819
Energy: 1.2130945641946131
Energy: 0.9294331243635819
Energy: 0.9682309130457507
Energy: 0.9229651429714819
Energy: 1.0148832563685033
Energy: 0.9229651429714819
Energy: 0.9682309130457507
Energy: 0.9229651429714819
Energy: 1.076900305430505
Energy: 0.9324596983745992
Energy: 0.927559420341662
Energy: 0.9324596983753445
Energy: 1.0769003054297601
Energy: 0.9324596983753445
Energy: 0.9441827101787802
Energy: 0.9275182418642226
Energy: 1.0807643314753752
Energy: 0.9275182418634774
Energy: 0.9441827101787802
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Energy: 0.9418645237704806
Energy: 0.9282764877111955
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Energy: 0.9225635865846276
Energy: 0.9239652837062883
Energy: 1.2130386991462154
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Energy: 1.222263535942953
Energy: 0.9765075430198557
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Energy: 0.9263012892054212
Energy: 0.9277307790822679
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Energy: 1.2424872115328665
Energy: 1.2834326184439675
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Energy: 0.941391964508196
Energy: 1.2424872115328665
Energy: 0.9224857342035027
Energy: 1.207677307910874
Energy: 1.318482476587717
Energy: 1.2076773079116194
Energy: 0.9224857342035027
Energy: 1.2076773079116194
Energy: 0.9262082427330273
Energy: 1.2223204084584292
Energy: 1.2342766106724061
Energy: 1.2223204084584292
Energy: 0.9262082427330273
Energy: 1.2223204084584292
Energy: 0.9262840839162457
Energy: 0.9786065726206575
Energy: 1.2124907568912557
Energy: 0.9786065726206575
Energy: 0.9262840839162457
Energy: 0.9786065726206575
Energy: 0.9230281654713052
Energy: 1.2429037673214842
Energy: 0.9538149455710963
Energy: 1.242903767320739
Energy: 0.9230281654720504
Energy: 1.242903767320739
Energy: 0.9225429628359666
Energy: 0.9393917967507004
Energy: 1.2197279450856409
Energy: 0.9393917967507004
Energy: 0.9225429628359666
Energy: 0.9393917967514455
Energy: 1.2125148186327548
Energy: 1.222624600155572
Energy: 0.9276705011166245
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Energy: 1.2125148186327548
Energy: 1.222624600154827
Energy: 1.2126647783514237
Energy: 1.2326693101069142
Energy: 0.9317816516998578
Energy: 1.2326693101069142
Energy: 1.2126647783514237
Energy: 1.2326693101069142
Energy: 1.234888180578392
Energy: 1.2433614165175624
Energy: 0.9273304972785505
Energy: 1.2433614165175624
Energy: 1.234888180578392
Energy: 1.2433614165175624
Energy: 1.2347799334353466
Energy: 1.2235230239175297
Energy: 1.2463847833202741
Energy: 1.2235230239167845
Energy: 1.2347799334360918
Energy: 1.2235230239167845
Energy: 1.2346106988425292
Energy: 1.2228687525219883
Energy: 0.9318331061249646
Energy: 1.2228687525219883
Energy: 1.2346106988432741
Energy: 1.2228687525219883
Energy: 1.2347267519558485
Energy: 1.223029529161328
Energy: 0.9318192602050124
Energy: 1.223029529161328
Energy: 1.2347267519551035
Energy: 1.223029529161328
Energy: 1.234809640654867
Energy: 1.2235156126014175
Energy: 1.094377061153665
Energy: 1.2235156126014175
Energy: 1.234809640654867
Energy: 1.2235156126021627
Energy: 1.2349671065908814
Energy: 1.243323066918561
Energy: 0.9273559819581101
Energy: 1.243323066918561
Energy: 1.2349671065901362
Energy: 1.243323066918561
Energy: 1.2128155497482282
Energy: 1.232663111206418
Energy: 0.9317957257985227
Energy: 1.232663111206418
Energy: 1.2128155497482282
Energy: 1.232663111206418
Energy: 1.2125468908104147
Energy: 1.2224969851454601
Energy: 0.927683331808741
Energy: 1.2224969851447147
Energy: 1.2125468908104147
Energy: 1.2224969851454601
Energy: 0.9225367797281351
Energy: 0.9393797270738615
Energy: 1.0689581673129531
Energy: 0.9393797270738615
Energy: 0.9225367797281351
Energy: 0.9393797270738615
Energy: 0.9230347859230865
Energy: 1.2428729622184873
Energy: 0.9539039186019233
Energy: 1.2428729622184873
Energy: 0.9230347859230865
Energy: 1.2428729622184873
Energy: 0.9262767968647208
Energy: 0.9786065726199125
Energy: 1.2125363895232368
Energy: 0.9786065726206575
Energy: 0.9262767968654659
Energy: 0.9786065726199125
Energy: 0.9262004363776553
Energy: 1.222321192668892
Energy: 1.2342375174142164
Energy: 1.2223211926681468
Energy: 0.9262004363776553
Energy: 1.2223211926681468
Energy: 0.9224748006307418
Energy: 1.2076605482582394
Energy: 1.0880490221679053
Energy: 1.2076605482582394
Energy: 0.9224748006307418
Energy: 1.2076605482582394
Energy: 0.9414508724997727
Energy: 1.2424936868704521
Energy: 1.2835900136541394
Energy: 1.2424936868711973
Energy: 0.9414508724997727
Energy: 1.2424936868711973
Energy: 0.9263072869814966
Energy: 0.9277722333805865
Energy: 1.235178845551763
Energy: 0.9277722333798412
Energy: 0.9263072869822416
Energy: 0.9277722333813316
Energy: 0.97650754301762
Energy: 1.222259515631254
Energy: 1.2342213580049137
Energy: 1.222259515631254
Energy: 0.97650754301762
Energy: 1.222259515631254
Energy: 0.9225518977305446
Energy: 0.9238601527245778
Energy: 1.077621426353912
Energy: 0.9238601527245778
Energy: 0.9225518977305446
Energy: 0.9238601527245778
Energy: 0.9416539697724119
Energy: 0.9282770299576736
Energy: 0.9538294621741354
Energy: 0.9282770299576736
Energy: 0.9416539697724119
Energy: 0.9282770299569283
Energy: 0.9441909850611939
Energy: 0.9275921478102879
Energy: 1.0809424039543223
Energy: 0.9275921478110329
Energy: 0.9441909850611939
Energy: 0.9275921478110329

minimum gb energy = 0.9224748006307418 eV
minimum distance =  2.29637299924966 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.619366186874021
Energy: 1.3501007000644578
Energy: 1.3382573543646088
Energy: 1.3501007000644578
Energy: 1.619366186874021
Energy: 1.3501007000644578
Energy: 1.2884133951171524
Energy: 1.0299377881702063
Energy: 0.9878671979908442
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Energy: 1.2884133951171524
Energy: 1.0299377881702063
Energy: 1.1952928023885618
Energy: 1.0003406759853177
Energy: 1.2395281631492194
Energy: 1.0003406759853177
Energy: 1.1952928023885618
Energy: 1.0003406759862332
Energy: 1.2697963834032393
Energy: 0.9906327025665446
Energy: 1.0027031064306309
Energy: 0.9906327025665446
Energy: 1.2697963834032393
Energy: 0.9906327025665446
Energy: 1.1410712247704633
Energy: 0.9896204492920363
Energy: 1.0186622909427017
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Energy: 0.9896204492920363
Energy: 1.084264548700704
Energy: 0.9917443422371849
Energy: 1.0925728150496115
Energy: 0.9917443422362695
Energy: 1.0842645486997888
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Energy: 1.0014292111233736
Energy: 0.984914433750969
Energy: 1.092147204601563
Energy: 0.984914433750969
Energy: 1.0014292111233736
Energy: 0.9849144337518844
Energy: 1.1286027434919172
Energy: 1.0043226266705252
Energy: 1.1602508571153989
Energy: 1.0043226266705252
Energy: 1.1286027434910022
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Energy: 0.9910077396713386
Energy: 0.9877927361616817
Energy: 1.2849215840790058
Energy: 0.9877927361616817
Energy: 0.9910077396704232
Energy: 0.9877927361616817
Energy: 0.9993778832776821
Energy: 1.331203622029927
Energy: 1.4033168553892794
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Energy: 0.9993778832776821
Energy: 1.331203622029927
Energy: 0.984824432115131
Energy: 0.996293745754223
Energy: 1.1063120259650971
Energy: 0.9962937457533078
Energy: 0.984824432115131
Energy: 0.9962937457551384
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Energy: 1.0042137929855606
Energy: 1.1603915534816938
Energy: 1.0042137929855606
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Energy: 1.0844849288367764
Energy: 0.9901286480528448
Energy: 1.3942087391145777
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Energy: 1.0844849288367764
Energy: 0.9901286480528448
Energy: 1.092982725492845
Energy: 1.3300070887787299
Energy: 1.0928213100896351
Energy: 1.3300070887787299
Energy: 1.092982725492845
Energy: 1.3300070887787299
Energy: 1.0991522620431216
Energy: 0.9930596256591818
Energy: 1.0875725247225656
Energy: 0.9930596256564361
Energy: 1.0991522620431216
Energy: 0.9930596256555208
Energy: 1.288061687770899
Energy: 0.9882398798486138
Energy: 1.0026770092980457
Energy: 0.9882398798476987
Energy: 1.288061687770899
Energy: 0.9882398798486138
Energy: 1.2880139529315044
Energy: 1.0049173639599809
Energy: 1.1716600332876936
Energy: 1.0049173639599809
Energy: 1.2880139529315044
Energy: 1.0049173639599809
Energy: 1.3472273543028452
Energy: 1.0055090146984307
Energy: 0.9924843149811947
Energy: 1.0055090146975152
Energy: 1.3472273543028452
Energy: 1.0055090146984307
Energy: 1.346974901484986
Energy: 1.334530545085657
Energy: 0.9923935135969009
Energy: 1.334530545085657
Energy: 1.346974901484986
Energy: 1.334530545085657
Energy: 1.2881477345813979
Energy: 0.9977144553189263
Energy: 0.987708207470387
Energy: 0.9977144553189263
Energy: 1.2881477345813979
Energy: 0.9977144553189263
Energy: 1.2880423847076916
Energy: 1.3725580983521217
Energy: 1.0047356124083107
Energy: 1.3725580983521217
Energy: 1.2880423847076916
Energy: 1.3725580983521217
Energy: 1.0929191659301927
Energy: 0.9934194311382437
Energy: 1.0853031659001184
Energy: 0.993419431139159
Energy: 1.0929191659301927
Energy: 0.9934194311373283
Energy: 1.099088516744967
Energy: 1.3294356845552968
Energy: 1.1012987406090329
Energy: 1.3294356845552968
Energy: 1.099088516744967
Energy: 1.3294356845552968
Energy: 1.0836912085751929
Energy: 1.3452169598726098
Energy: 1.093884183495329
Energy: 1.3452169598716945
Energy: 1.0836912085742776
Energy: 1.3452169598716945
Energy: 1.0849270329089071
Energy: 1.3721340209629607
Energy: 1.1607830649008584
Energy: 1.3721340209629607
Energy: 1.0849270329089071
Energy: 1.3721340209629607
Energy: 0.9853753196816384
Energy: 0.9945345170373641
Energy: 1.2881023468488533
Energy: 0.9945345170364488
Energy: 0.9853753196816384
Energy: 0.9945345170364488
Energy: 0.9965121131529119
Energy: 1.3293285044380483
Energy: 1.403720702463262
Energy: 1.3293285044380483
Energy: 0.9965121131529119
Energy: 1.3293285044380483
Energy: 0.991468677429393
Energy: 1.3133825609685656
Energy: 1.2325477077780163
Energy: 1.3133825609685656
Energy: 0.991468677429393
Energy: 1.3133825609685656
Energy: 1.1258075349236805
Energy: 1.0034766239467687
Energy: 1.160721681879197
Energy: 1.0034766239458535
Energy: 1.1258075349236805
Energy: 1.0034766239458535
Energy: 1.0019457250551334
Energy: 0.985551474530371
Energy: 1.288426434625132
Energy: 0.985551474530371
Energy: 1.0019457250551334
Energy: 0.9855514745312655
Energy: 1.0839439341526094
Energy: 0.9911351356066068
Energy: 1.1012296784527407
Energy: 0.9911351356066068
Energy: 1.0839439341526094
Energy: 0.9911351356056914

minimum gb energy = 0.984824432115131 eV
minimum distance =  2.28773913403029 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.1583939221541502
Energy: 1.449266148184893
Energy: 1.31114768045821
Energy: 1.449266148184893
Energy: 1.1583939221541502
Energy: 1.449266148183708
Energy: 1.0793058672648372
Energy: 1.1502680788413457
Energy: 1.0721858204142423
Energy: 1.1502680788413457
Energy: 1.0793058672648372
Energy: 1.1502680788413457
Energy: 1.0804963075746918
Energy: 1.4536840487830693
Energy: 1.2401981325081126
Energy: 1.4536840487818843
Energy: 1.0804963075746918
Energy: 1.4536840487830693
Energy: 1.0770351690193898
Energy: 1.066183790415426
Energy: 1.0715919635696283
Energy: 1.066183790415426
Energy: 1.0770351690193898
Energy: 1.066183790415426
Energy: 1.067613457884593
Energy: 1.0877868198890268
Energy: 1.0796985023424395
Energy: 1.0877868198890268
Energy: 1.067613457884593
Energy: 1.0877868198890268
Energy: 1.077238420021854
Energy: 1.065014849803167
Energy: 1.0754877610149194
Energy: 1.065014849803167
Energy: 1.077238420021854
Energy: 1.0650148498043523
Energy: 1.0658246584528128
Energy: 1.0660537320694037
Energy: 1.0809327259004127
Energy: 1.0660537320694037
Energy: 1.0658246584528128
Energy: 1.0660537320694037
Energy: 1.076198052239073
Energy: 1.0709829534496114
Energy: 1.155480439877275
Energy: 1.0709829534496114
Energy: 1.076198052239073
Energy: 1.0709829534496114
Energy: 1.0680220260981694
Energy: 1.1490996736946226
Energy: 1.219164520092942
Energy: 1.1490996736934376
Energy: 1.0680220260981694
Energy: 1.1490996736934376
Energy: 1.0672722915480206
Energy: 1.0714438631196461
Energy: 1.0757549589100677
Energy: 1.0714438631196461
Energy: 1.0672722915480206
Energy: 1.0714438631196461
Energy: 1.0646787237646995
Energy: 1.065259442829887
Energy: 1.0658330107706362
Energy: 1.065259442829887
Energy: 1.0646787237646995
Energy: 1.065259442829887
Energy: 1.070252363130897
Energy: 1.068268816506492
Energy: 1.0719261641902018
Energy: 1.068268816507677
Energy: 1.070252363130897
Energy: 1.068268816506492
Energy: 1.0682820129933785
Energy: 1.0697506044788283
Energy: 1.1382734413308944
Energy: 1.0697506044788283
Energy: 1.0682820129933785
Energy: 1.0697506044788283
Energy: 1.0691607501358074
Energy: 1.066735467575217
Energy: 1.067254900739809
Energy: 1.066735467575217
Energy: 1.0691607501358074
Energy: 1.066735467575217
Energy: 1.0667555729258122
Energy: 1.069896543289092
Energy: 1.0812202345106992
Energy: 1.069896543289092
Energy: 1.0667555729258122
Energy: 1.069896543289092
Energy: 1.0695623994272336
Energy: 1.4582869887894536
Energy: 1.0720109098358606
Energy: 1.4582869887894536
Energy: 1.0695623994260484
Energy: 1.4582869887894536
Energy: 1.0687965135776878
Energy: 1.0694092097837196
Energy: 1.0647081640449025
Energy: 1.069409209784905
Energy: 1.0687965135776878
Energy: 1.069409209784905
Energy: 1.0675924573498217
Energy: 1.1007920418236516
Energy: 1.0676161876986632
Energy: 1.1007920418236516
Energy: 1.0675924573498217
Energy: 1.1007920418224932
Energy: 1.0647001148019382
Energy: 1.068215000842932
Energy: 1.0688035723945752
Energy: 1.068215000842932
Energy: 1.0647001148019382
Energy: 1.068215000842932
Energy: 1.0720778638948936
Energy: 1.4582848023053667
Energy: 1.0695623486367718
Energy: 1.4582848023065518
Energy: 1.0720778638948936
Energy: 1.4582848023053667
Energy: 1.0811642395372443
Energy: 1.0696289907112044
Energy: 1.0668846342650407
Energy: 1.0696289907112044
Energy: 1.0811642395372443
Energy: 1.0696289907112044
Energy: 1.0672257817649582
Energy: 1.2914597271690993
Energy: 1.0690518911940912
Energy: 1.2914597271690993
Energy: 1.0672257817637731
Energy: 1.2914597271690993
Energy: 1.1002931661231443
Energy: 1.069600574154681
Energy: 1.0682858999442988
Energy: 1.069600574154681
Energy: 1.1002931661231443
Energy: 1.069600574154681
Energy: 1.0719346944618724
Energy: 1.068766944319225
Energy: 1.0702564374819916
Energy: 1.068766944319225
Energy: 1.0719346944618724
Energy: 1.068766944319225

minimum gb energy = 1.0646787237646995 eV
minimum distance =  2.29889725691978 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.1596754445407451
Energy: 1.1584357901058786
Energy: 1.1776015907187551
Energy: 1.1584357901058786
Energy: 1.1596754445407451
Energy: 1.1584357901058786
Energy: 1.177170032712748
Energy: 1.148902524166743
Energy: 1.1493351345796758
Energy: 1.148902524166743
Energy: 1.177170032712748
Energy: 1.148902524166743
Energy: 1.1509559726804341
Energy: 1.1510916911078917
Energy: 1.345891595373846
Energy: 1.1510916911078917
Energy: 1.1509559726804341
Energy: 1.1510916911078917
Energy: 1.1748927983635717
Energy: 1.1492251314364381
Energy: 1.149366877594029
Energy: 1.1492251314347621
Energy: 1.1748927983635717
Energy: 1.1492251314364381
Energy: 1.1477748210120906
Energy: 1.1483826942404722
Energy: 1.1505715701558414
Energy: 1.1483826942404722
Energy: 1.1477748210120906
Energy: 1.1483826942404722
Energy: 1.1489819481668364
Energy: 1.158609149973325
Energy: 1.1600015575640563
Energy: 1.158609149973325
Energy: 1.1489819481668364
Energy: 1.158609149973325
Energy: 1.1527337249819416
Energy: 1.3252627670517443
Energy: 1.1805517785797404
Energy: 1.3252627670517443
Energy: 1.1527337249819416
Energy: 1.3252627670517443
Energy: 1.1485271155392949
Energy: 1.4359094186555394
Energy: 1.149461877381833
Energy: 1.4359094186555394
Energy: 1.1485271155392949
Energy: 1.4359094186555394
Energy: 1.147813200637576
Energy: 1.1481111127533359
Energy: 1.2777518461372432
Energy: 1.1481111127533359
Energy: 1.147813200637576
Energy: 1.1481111127533359
Energy: 1.1594070085234662
Energy: 1.131508961602778
Energy: 1.1494443721974938
Energy: 1.131508961604454
Energy: 1.1594070085234662
Energy: 1.131508961602778
Energy: 1.161549749564094
Energy: 1.1509865614567645
Energy: 1.1573442395920113
Energy: 1.1509865614567645
Energy: 1.161549749564094
Energy: 1.1509865614567645
Energy: 1.1483224678576986
Energy: 1.151242946674589
Energy: 1.154709868128676
Energy: 1.151242946674589
Energy: 1.1483224678576986
Energy: 1.151242946674589
Energy: 1.1480142455314541
Energy: 1.2960034112123604
Energy: 1.1540466630552821
Energy: 1.2960034112123604
Energy: 1.1480142455314541
Energy: 1.2960034112123604
Energy: 1.1485184955621195
Energy: 1.1486930317720687
Energy: 1.14961494524382
Energy: 1.1486930317703927
Energy: 1.1485184955621195
Energy: 1.1486930317720687
Energy: 1.1530204391139236
Energy: 1.415772817209391
Energy: 1.1602740226210917
Energy: 1.415772817209391
Energy: 1.1530204391139236
Energy: 1.415772817209391
Energy: 1.154033211427638
Energy: 1.1491223511749038
Energy: 1.1601757537350341
Energy: 1.1491223511749038
Energy: 1.154033211427638
Energy: 1.14912235117658
Energy: 1.1579267770176602
Energy: 1.1496270971434452
Energy: 1.148314105854586
Energy: 1.1496270971434452
Energy: 1.1579267770176602
Energy: 1.1496270971434452

minimum gb energy = 1.131508961602778 eV
minimum distance =  2.27659879737263 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.705479702203074
Energy: 1.5567946382638014
Energy: 1.6477951935700597
Energy: 1.5567946382638014
Energy: 1.705479702203074
Energy: 1.5567946382638014
Energy: 1.415189481302317
Energy: 1.1490920028448488
Energy: 1.1356492240927853
Energy: 1.1490920028448488
Energy: 1.415189481302317
Energy: 1.1490920028448488
Energy: 1.1412952935508904
Energy: 1.2380864119656938
Energy: 1.1317322621126564
Energy: 1.2380864119650465
Energy: 1.1412952935508904
Energy: 1.2380864119650465
Energy: 1.1466364082660543
Energy: 1.1314379629279088
Energy: 1.2488974323370967
Energy: 1.131437962926614
Energy: 1.1466364082673486
Energy: 1.1314379629272613
Energy: 1.135237907533573
Energy: 1.1873049944919907
Energy: 1.4516253123599954
Energy: 1.1873049944919907
Energy: 1.135237907533573
Energy: 1.1873049944919907
Energy: 1.2614441450972158
Energy: 1.1388507656842146
Energy: 1.2777260547526146
Energy: 1.1388507656835674
Energy: 1.2614441450972158
Energy: 1.1388507656835674
Energy: 1.1365211934018586
Energy: 1.2600361826458266
Energy: 1.4169877472253525
Energy: 1.2600361826458266
Energy: 1.1365211934018586
Energy: 1.2600361826458266
Energy: 1.3965151886850045
Energy: 1.133299170848698
Energy: 1.1342969762156088
Energy: 1.133299170848698
Energy: 1.3965151886856515
Energy: 1.133299170848698
Energy: 1.2793172482073483
Energy: 1.1386261055448104
Energy: 1.1523504913206435
Energy: 1.1386261055448104
Energy: 1.2793172482067012
Energy: 1.138626105544163
Energy: 1.3927591219169972
Energy: 1.2224948747351012
Energy: 1.1367552457162884
Energy: 1.1885074006626466
Energy: 1.3927591219169972
Energy: 1.2224948747351012
Energy: 1.2505257556151554
Energy: 1.3785964638389618
Energy: 1.244286660291904
Energy: 1.378596463839609
Energy: 1.2505257556151554
Energy: 1.378596463839609
Energy: 1.1469456782905685
Energy: 1.1473547518530642
Energy: 1.1484368283821385
Energy: 1.1473547518530642
Energy: 1.1469456782899214
Energy: 1.14735475185177
Energy: 1.1381206090419018
Energy: 1.1353099641457156
Energy: 1.4260816969868846
Energy: 1.1353099641457156
Energy: 1.1381206090412546
Energy: 1.1353099641457156
Energy: 1.1594595202267584
Energy: 1.4125728986272112
Energy: 1.6259570242504071
Energy: 1.4125728986265638
Energy: 1.159459520226111
Energy: 1.4125728986272112
Energy: 1.147501300613824
Energy: 1.3865176612607295
Energy: 1.243553082051104
Energy: 1.3865176612607295
Energy: 1.147501300613824
Energy: 1.3865176612607295
Energy: 1.2496909425485023
Energy: 1.3707355320660966
Energy: 1.1488377851984333
Energy: 1.3707355320654493
Energy: 1.2496909425491496
Energy: 1.4701991645015047
Energy: 1.2579996888668672
Energy: 1.1307404446721345
Energy: 1.1546289029544685
Energy: 1.1307404446727818
Energy: 1.2579996888668672
Energy: 1.1307404446721345
Energy: 1.605789288234841
Energy: 1.4198967193191872
Energy: 1.1567626267507412
Energy: 1.41989671931854
Energy: 1.6057892882341938
Energy: 1.4198967193191872
Energy: 1.5252845099379952
Energy: 1.3734060467188158
Energy: 1.1401351628533203
Energy: 1.3734060467188158
Energy: 1.5252845099379952
Energy: 1.3734060467188158
Energy: 1.1462767841771795
Energy: 1.1908222439634129
Energy: 1.1462633460875187
Energy: 1.2261804458342924
Energy: 1.1462767841771795
Energy: 1.1908222439634129
Energy: 1.1401156394780643
Energy: 1.3620486823023876
Energy: 1.60532497339559
Energy: 1.3620486823030349
Energy: 1.1401156394780643
Energy: 1.3620486823030349
Energy: 1.1567740938909492
Energy: 1.4199025942163535
Energy: 1.6058065768297338
Energy: 1.4199025942157062
Energy: 1.1567740938915965
Energy: 1.4199025942157062
Energy: 1.1498000751755475
Energy: 1.1308421161647195
Energy: 1.2581848032340228
Energy: 1.1308421161647195
Energy: 1.1498000751755475
Energy: 1.1308421161653668
Energy: 1.1488412249028994
Energy: 1.2367937612709798
Energy: 1.2499050239921665
Energy: 1.2367937612709798
Energy: 1.1488412249028994
Energy: 1.2367937612709798
Energy: 1.2435950094441812
Energy: 1.386549503069816
Energy: 1.1545303673308653
Energy: 1.386549503069816
Energy: 1.2435950094441812
Energy: 1.3865495030704635
Energy: 1.6261526204807186
Energy: 1.4127424670152118
Energy: 1.1594588241639745
Energy: 1.4127424670152118
Energy: 1.6261526204807186
Energy: 1.412742467015859
Energy: 1.4260219555923277
Energy: 1.1353869696853982
Energy: 1.1379237969461773
Energy: 1.1353869696853982
Energy: 1.4260219555903861
Energy: 1.1353869696853982
Energy: 1.1484547536938194
Energy: 1.1472710293947774
Energy: 1.1469148194883545
Energy: 1.1472710293941302
Energy: 1.1484547536938194
Energy: 1.1472710293947774
Energy: 1.2443205001670035
Energy: 1.3785077229023048
Energy: 1.250541801949429
Energy: 1.3785077229023048
Energy: 1.2443205001670035
Energy: 1.3785077229023048
Energy: 1.1367734094166815
Energy: 1.2164258002454247
Energy: 1.3927866227273227
Energy: 1.2164258002447772
Energy: 1.1367734094160344
Energy: 1.2164258002447772
Energy: 1.1523660931930118
Energy: 1.1384463213261948
Energy: 1.2793130941519193
Energy: 1.1384463213255476
Energy: 1.1523660931923643
Energy: 1.1384463213261948
Energy: 1.1342990387773573
Energy: 1.1332388187120273
Energy: 1.39645716745808
Energy: 1.1332388187113798
Energy: 1.1342990387780045
Energy: 1.1332388187120273
Energy: 1.416951690571457
Energy: 1.2599811887097299
Energy: 1.1365322996145841
Energy: 1.2599811887097299
Energy: 1.416951690571457
Energy: 1.2599811887097299
Energy: 1.2777414649309957
Energy: 1.1390428225178915
Energy: 1.261364438783892
Energy: 1.1390428225178915
Energy: 1.2777414649309957
Energy: 1.1390428225165972
Energy: 1.4165405228994135
Energy: 1.1873049944906964
Energy: 1.1352364051950004
Energy: 1.1873049944906964
Energy: 1.4165405228994135
Energy: 1.1873049944906964
Energy: 1.2488930584121116
Energy: 1.1312143292339933
Energy: 1.14665774506971
Energy: 1.131214329232699
Energy: 1.2488930584121116
Energy: 1.1312143292333463
Energy: 1.1315382315955085
Energy: 1.2380563796482325
Energy: 1.1413020004539498
Energy: 1.2380563796482325
Energy: 1.1315382315955085
Energy: 1.2380563796482325
Energy: 1.1356505802547008
Energy: 1.1490949610723977
Energy: 1.4151088188929157
Energy: 1.1490949610723977
Energy: 1.1356505802547008
Energy: 1.1490949610730448
Energy: 1.2200732748844005
Energy: 1.5567946382644484
Energy: 1.705479702203074
Energy: 1.5567946382644484
Energy: 1.2200732748792225
Energy: 1.5567946382644484
Energy: 1.1356492240927853
Energy: 1.1490920028448488
Energy: 1.415189481302317
Energy: 1.1490920028448488
Energy: 1.1356492240927853
Energy: 1.1490920028448488
Energy: 1.1317322621120092
Energy: 1.2380864119643993
Energy: 1.1412952935508904
Energy: 1.2380864119650465
Energy: 1.1317322621120092
Energy: 1.2380864119643993
Energy: 1.2488974323370967
Energy: 1.1314379629272613
Energy: 1.1466364082660543
Energy: 1.1314379629272613
Energy: 1.2488974323370967
Energy: 1.1314379629272613
Energy: 1.4516253123606426
Energy: 1.1873049944919907
Energy: 1.1352379075342205
Energy: 1.1873049944919907
Energy: 1.4516253123599954
Energy: 1.1873049944913436

minimum gb energy = 1.1307404446721345 eV
minimum distance =  2.25560295691335 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.4977145778820284
Energy: 1.3595055816752335
Energy: 1.4660056256225436
Energy: 1.3595055816752335
Energy: 1.4977145778830823
Energy: 1.3595055816741797
Energy: 1.3018338369088083
Energy: 1.1556850891927148
Energy: 1.1555008008323007
Energy: 1.1556850891927148
Energy: 1.3018338369088083
Energy: 1.1556850891927148
Energy: 1.157219240060053
Energy: 1.2289562764135324
Energy: 1.2175896621503433
Energy: 1.2289562764124786
Energy: 1.157219240060053
Energy: 1.2289562764124786
Energy: 1.2791156975677354
Energy: 1.2379728963507377
Energy: 1.4500983617037286
Energy: 1.2379728963507377
Energy: 1.2791156975666815
Energy: 1.2379728963496839
Energy: 1.107262708374239
Energy: 1.1951796919590838
Energy: 1.4791664153563062
Energy: 1.1951796919590838
Energy: 1.107262708374239
Energy: 1.1951796919590838
Energy: 1.4038476504081405
Energy: 1.2393448139160632
Energy: 1.4501874990967176
Energy: 1.2393448139160632
Energy: 1.4038476504070867
Energy: 1.2393448139150094
Energy: 1.1593008178190511
Energy: 1.2396470943508384
Energy: 1.16052465309209
Energy: 1.2396470943487305
Energy: 1.1593008178190511
Energy: 1.239647094352946
Energy: 1.1059828938116827
Energy: 1.231511206537007
Energy: 1.1553796625907182
Energy: 1.231511206537007
Energy: 1.1059828938116827
Energy: 1.231511206537007
Energy: 1.3044038206730524
Energy: 1.1081035924634874
Energy: 1.162644373385562
Energy: 1.1081035924403022
Energy: 1.3044038206730524
Energy: 1.1081035924792955
Energy: 1.374931305051671
Energy: 1.15563746913121
Energy: 1.1574432381985642
Energy: 1.15563746913121
Energy: 1.374931305050617
Energy: 1.15563746913121
Energy: 1.1594599631710145
Energy: 1.1077256177947592
Energy: 1.4424616729802913
Energy: 1.1077256177947592
Energy: 1.1594599631710145
Energy: 1.1077256177937054
Energy: 1.2153739407886144
Energy: 1.2387787979319165
Energy: 1.446993074956947
Energy: 1.2387787979319165
Energy: 1.2153739407875606
Energy: 1.2387787979319165
Energy: 1.1117393861757379
Energy: 1.2410181716734077
Energy: 1.4443588392141933
Energy: 1.2410181716734077
Energy: 1.1117393861757379
Energy: 1.2410181716734077
Energy: 1.3968892087218068
Energy: 1.30346874701912
Energy: 1.4472405754341173
Energy: 1.3034687470170123
Energy: 1.3968892087218068
Energy: 1.30346874701912
Energy: 1.1665428551121189
Energy: 1.241134219115045
Energy: 1.1597307970027448
Energy: 1.2411342191139911
Energy: 1.1665428551131727
Energy: 1.2411342191139911
Energy: 1.3783713724431519
Energy: 1.1792236419964677
Energy: 1.1594723634172526
Energy: 1.1792236419911981
Energy: 1.378371372444206
Energy: 1.1792236419827673
Energy: 1.492159489455043
Energy: 1.2369626518462495
Energy: 1.1602690312135178
Energy: 1.2369626518462495
Energy: 1.492159489453989
Energy: 1.2369626518462495
Energy: 1.4536173504242271
Energy: 1.3035115006598823
Energy: 1.1639875581075685
Energy: 1.3035115006598823
Energy: 1.4536173504242271
Energy: 1.3035115006598823
Energy: 1.1668927616416036
Energy: 1.1081018704908676
Energy: 1.4455307994604465
Energy: 1.1081018704887597
Energy: 1.1668927616416036
Energy: 1.108101870487706
Energy: 1.2379198782646805
Energy: 1.2302532704299078
Energy: 1.4512016439585222
Energy: 1.2302532704299078
Energy: 1.2379198782646805
Energy: 1.2302532704299078
Energy: 1.1164269935133022
Energy: 1.2384712958631308
Energy: 1.4543848343472983
Energy: 1.2384712958641366
Energy: 1.1164269935133022
Energy: 1.2384712958631308
Energy: 1.1581429222753068
Energy: 1.1075783375261188
Energy: 1.4447496542096303
Energy: 1.1075783375282264
Energy: 1.1581429222753068
Energy: 1.1075783375271728
Energy: 1.1697831080628232
Energy: 1.2297769250510506
Energy: 1.1632217357176247
Energy: 1.2297769250521047
Energy: 1.1697831080617693
Energy: 1.2297769250510506
Energy: 1.3167476716227147
Energy: 1.6004120996059445
Energy: 1.163281363910037
Energy: 1.6004120996059445
Energy: 1.3167476716227147
Energy: 1.6004120996059445
Energy: 1.3030152557601258
Energy: 1.255797229155732
Energy: 1.1628404432662587
Energy: 1.255797229155732
Energy: 1.3030152557601258
Energy: 1.255797229155732
Energy: 1.1706823720807944
Energy: 1.240090032415536
Energy: 1.1631457667898242
Energy: 1.2400900324123743
Energy: 1.1706823720807944
Energy: 1.240090032415536
Energy: 1.1693682034657236
Energy: 1.106701238000524
Energy: 1.4481074307583657
Energy: 1.106701238000524
Energy: 1.1693682034646697
Energy: 1.106701238001578

minimum gb energy = 1.1059828938116827 eV
minimum distance =  2.30289880048005 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.3614965105609775
Energy: 1.1784460904294605
Energy: 1.720075787060845
Energy: 1.1784460904294605
Energy: 1.3614965105609775
Energy: 1.1784460904294605
Energy: 1.2328437324299995
Energy: 1.1757197568067392
Energy: 1.158101922659412
Energy: 1.1757197568067392
Energy: 1.2328437324299995
Energy: 1.1757197568067392
Energy: 1.1573376950968128
Energy: 1.3102394612731678
Energy: 1.158147943869835
Energy: 1.3102394612731678
Energy: 1.1573376950968128
Energy: 1.3102394612731678
Energy: 1.3688285331317431
Energy: 1.1580955545549458
Energy: 1.30722884065191
Energy: 1.158095554554178
Energy: 1.3688285331325112
Energy: 1.158095554554178
Energy: 1.156982994746849
Energy: 1.2335395193152638
Energy: 1.2779262517224468
Energy: 1.2335395193152638
Energy: 1.156982994746849
Energy: 1.2335395193152638
Energy: 1.2901471407942235
Energy: 1.2892660130220182
Energy: 1.1783524130881624
Energy: 1.2892660130212505
Energy: 1.290147140793456
Energy: 1.2892660130212505
Energy: 1.179981970865493
Energy: 1.2897428997273863
Energy: 1.176041681114762
Energy: 1.2897428997273863
Energy: 1.179981970864725
Energy: 1.2897428997273863
Energy: 1.2999428885712545
Energy: 1.233728169004841
Energy: 1.1564291268423172
Energy: 1.2337281690040731
Energy: 1.2999428885712545
Energy: 1.233728169004841
Energy: 1.3082453465790087
Energy: 1.157439965838659
Energy: 1.3128313577708939
Energy: 1.157439965838659
Energy: 1.308245346578241
Energy: 1.157439965838659
Energy: 1.3986674429031023
Energy: 1.3115988203144648
Energy: 1.1615590529355386
Energy: 1.3115988203144648
Energy: 1.3986674429031023
Energy: 1.3115988203144648
Energy: 1.1597053784072877
Energy: 1.2284028362583643
Energy: 1.52875586416787
Energy: 1.2284028362583643
Energy: 1.1597053784072877
Energy: 1.2284028362583643
Energy: 1.1759737483641108
Energy: 1.178177981918934
Energy: 1.3649473405032375
Energy: 1.178177981918934
Energy: 1.1759737483641108
Energy: 1.178177981918934
Energy: 1.1578701278290078
Energy: 1.1764305033974842
Energy: 1.3063322269339328
Energy: 1.1764305033967164
Energy: 1.1578701278290078
Energy: 1.1764305033974842
Energy: 1.3068909363810883
Energy: 1.157454241092733
Energy: 1.1615614785668713
Energy: 1.1574542410919655
Energy: 1.3068909363803205
Energy: 1.157454241092733
Energy: 1.3126497089677687
Energy: 1.158829216119648
Energy: 1.1737154891331403
Energy: 1.158829216119648
Energy: 1.3126497089677687
Energy: 1.1588292161188802
Energy: 1.2907510785974952
Energy: 1.3070300976484892
Energy: 1.1551669204799462
Energy: 1.3070300976492573
Energy: 1.2907510785974952
Energy: 1.3070300976484892
Energy: 1.17757090765302
Energy: 1.177950267993165
Energy: 1.29071754960161
Energy: 1.177950267993165
Energy: 1.17757090765302
Energy: 1.177950267993165
Energy: 1.1780110363005263
Energy: 1.2915872391375567
Energy: 1.177530145441442
Energy: 1.2915872391375567
Energy: 1.1780110362997582
Energy: 1.2915872391383247
Energy: 1.1566797139735285
Energy: 1.1770045788072756
Energy: 1.3067963074407094
Energy: 1.1770045788072756
Energy: 1.1566797139735285
Energy: 1.1770045788072756
Energy: 1.1572496613661927
Energy: 1.2885974207710882
Energy: 1.3070609904796215
Energy: 1.2885974207710882
Energy: 1.1572496613669607
Energy: 1.2885974207703204
Energy: 1.1573704207984519
Energy: 1.313160053114129
Energy: 1.1754412957687461
Energy: 1.3131600531133611
Energy: 1.1573704207984519
Energy: 1.313160053114129
Energy: 1.679790925168163
Energy: 1.1635907001560815
Energy: 1.1577917114045673
Energy: 1.1635907001560815
Energy: 1.679790925168931
Energy: 1.1635907001553136
Energy: 1.5784080556571962
Energy: 1.1562666220853866
Energy: 1.17523780232584
Energy: 1.1562666220861546
Energy: 1.5784080556571962
Energy: 1.1562666220861546
Energy: 1.15714508256743
Energy: 1.30211344800406
Energy: 1.1750659887657438
Energy: 1.30211344800406
Energy: 1.15714508256743
Energy: 1.30211344800406
Energy: 1.1574661140424294
Energy: 1.2998699263009734
Energy: 1.3070569156160696
Energy: 1.2998699263009734
Energy: 1.1574661140424294
Energy: 1.2998699263009734
Energy: 1.17323036587119
Energy: 1.3310678079237641
Energy: 1.3069150052104401
Energy: 1.3310678079237641
Energy: 1.17323036587119
Energy: 1.3310678079237641
Energy: 1.1619156330840419
Energy: 1.497215655663215
Energy: 1.2900379763940109
Energy: 1.497215655663215
Energy: 1.1619156330840419
Energy: 1.497215655663215
Energy: 1.2899444046493551
Energy: 1.2767867778663038
Energy: 1.2899982361017683
Energy: 1.2767867778670714
Energy: 1.2899444046493551
Energy: 1.2767867778663038
Energy: 1.2897890447897031
Energy: 1.4972060488842298
Energy: 1.1752839935248474
Energy: 1.4972060488842298
Energy: 1.2897890447897031
Energy: 1.4972060488842298
Energy: 1.3067239579029708
Energy: 1.3312740971368198
Energy: 1.1730376870978045
Energy: 1.331274097136052
Energy: 1.3067239579029708
Energy: 1.331274097136052
Energy: 1.3068400619508473
Energy: 1.2998741281217907
Energy: 1.1574385133650662
Energy: 1.2998741281217907
Energy: 1.3068400619508473
Energy: 1.2998741281217907
Energy: 1.1750348491715492
Energy: 1.3021609122899396
Energy: 1.1570392340949014
Energy: 1.3021609122891717
Energy: 1.1750348491715492
Energy: 1.3021609122899396
Energy: 1.1752143370180754
Energy: 1.156301319720489
Energy: 1.7974176866229141
Energy: 1.156301319720489
Energy: 1.1752143370180754
Energy: 1.1563013197197212
Energy: 1.158050709265883
Energy: 1.1634775273818931
Energy: 1.6796649824152878
Energy: 1.1634775273826607
Energy: 1.158050709265883
Energy: 1.1634775273818931
Energy: 1.175448627823836
Energy: 1.313134149904043
Energy: 1.1572971263382188
Energy: 1.313134149904043
Energy: 1.175448627823836
Energy: 1.313134149904043
Energy: 1.3069207935800429
Energy: 1.2886047631653534
Energy: 1.157257821388774
Energy: 1.2886047631645856
Energy: 1.3069207935800429
Energy: 1.2886047631653534

minimum gb energy = 1.1551669204799462 eV
minimum distance =  2.28516328361294 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.1973452013224646
Energy: 1.1982793851489635
Energy: 2.0744743659345373
Energy: 1.1982793851489635
Energy: 1.1973452013224646
Energy: 1.1982793851489635
Energy: 1.1987501320729022
Energy: 1.1981365032251658
Energy: 1.1973660017115588
Energy: 1.1981365032251658
Energy: 1.1987501320723253
Energy: 1.1981365032251658
Energy: 1.1973651307471271
Energy: 1.1982856670854258
Energy: 1.179979773270273
Energy: 1.1982856670854258
Energy: 1.197365130746839
Energy: 1.1982856670851374
Energy: 1.7274548714357112
Energy: 1.1982793851489635
Energy: 1.197345201322721
Energy: 1.1982793851489635
Energy: 1.7274548714357112
Energy: 1.1982793851489635
Energy: 1.1973660017112706
Energy: 1.1981365032251658
Energy: 1.1987501320734473
Energy: 1.1981365032251658
Energy: 1.1973660017112706
Energy: 1.1981365032251658
Energy: 1.6120203759659906
Energy: 1.1982856670854258
Energy: 1.197365130746839
Energy: 1.1982856670854258
Energy: 1.6120203759659906
Energy: 1.1982856670857143
Energy: 1.1973452013224646
Energy: 1.1982793851489635
Energy: 1.3683713769760675
Energy: 1.1982793851489635
Energy: 1.1973452013224646
Energy: 1.1982793851489635
Energy: 1.1987501320757235
Energy: 1.1981365032251658
Energy: 1.1973660017112706
Energy: 1.1981365032254545
Energy: 1.1987501320751466
Energy: 1.1981365032251658
Energy: 1.197365130746839
Energy: 1.1982856670854258
Energy: 1.6120203759659906
Energy: 1.1982856670854258
Energy: 1.197365130746839
Energy: 1.1982856670851374
Energy: 1.368371376985942
Energy: 1.1982793851489635
Energy: 1.1973452013224646
Energy: 1.1982793851489635
Energy: 1.3683713769851085
Energy: 1.1982793851489635

minimum gb energy = 1.179979773270273 eV
minimum distance =  2.25587286627283 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.5275059059825655
Energy: 1.1842058885548432
Energy: 1.6393854480542063
Energy: 1.1842058885548432
Energy: 1.5275059060002953
Energy: 1.1842058885548432
Energy: 1.154859829931251
Energy: 1.1665787883426015
Energy: 1.1413970686061874
Energy: 1.1665787883426015
Energy: 1.1548598299304065
Energy: 1.1665787883426015
Energy: 1.1501445935028343
Energy: 1.1503680856177778
Energy: 1.1442528904710432
Energy: 1.1503680856177778
Energy: 1.1501445935028343
Energy: 1.1503680856177778
Energy: 1.1489375771014074
Energy: 1.3871858244397384
Energy: 1.311238947844978
Energy: 1.3871858242043011
Energy: 1.148937577109006
Energy: 1.3871858242903787
Energy: 1.2757232713612807
Energy: 1.1558578666028938
Energy: 1.1408968663859815
Energy: 1.1558578666028938
Energy: 1.2757232713612807
Energy: 1.1558578666028938
Energy: 1.3700012204493752
Energy: 1.1949928867523507
Energy: 1.1297908589084835
Energy: 1.1949928867523507
Energy: 1.3700012204502197
Energy: 1.1949928867523507
Energy: 1.275770984455938
Energy: 1.1571192015397458
Energy: 1.2875754179963204
Energy: 1.1571192015389014
Energy: 1.2757709844567826
Energy: 1.1571192015397458
Energy: 1.156789319776784
Energy: 1.5296853985473302
Energy: 1.311616529810348
Energy: 1.5296853985473302
Energy: 1.156789319776784
Energy: 1.5296853985473302
Energy: 1.1498351733265937
Energy: 1.1503927279563426
Energy: 1.5589521077352686
Energy: 1.1503927279571868
Energy: 1.1498351733265937
Energy: 1.1503927279563426
Energy: 1.1503471061236916
Energy: 1.1676700273886875
Energy: 1.1442445094893126
Energy: 1.1676700273886875
Energy: 1.1503471061236916
Energy: 1.1676700273886875
Energy: 1.6118983234887032
Energy: 1.1271259855964506
Energy: 1.2895034082718086
Energy: 1.1271259855964506
Energy: 1.6118983234887032
Energy: 1.1271259855964506
Energy: 1.6148004256373365
Energy: 1.141800872832828
Energy: 1.140505521943201
Energy: 1.141800872833672
Energy: 1.6148004256373365
Energy: 1.141800872832828
Energy: 1.1499439604730919
Energy: 1.3424299815578211
Energy: 1.1409115415161886
Energy: 1.3424299815578211
Energy: 1.1499439604730919
Energy: 1.3424299815578211
Energy: 1.1515075122085559
Energy: 1.259456733917142
Energy: 1.3110188977202666
Energy: 1.259456733917142
Energy: 1.1515075122085559
Energy: 1.259456733917142
Energy: 1.2758002913256423
Energy: 1.248047982238928
Energy: 1.3109226067642765
Energy: 1.248047982238928
Energy: 1.2758002913256423
Energy: 1.248047982238928
Energy: 1.276086242644986
Energy: 1.1684868269850246
Energy: 1.127606472581566
Energy: 1.1684868269858688
Energy: 1.276086242644986
Energy: 1.1684868269858688
Energy: 1.2759396942827135
Energy: 1.1682651612348145
Energy: 1.1280796582183228
Energy: 1.1682651612348145
Energy: 1.2759396942827135
Energy: 1.1682651612348145
Energy: 1.2759612863671406
Energy: 1.27919767552871
Energy: 1.310298823726601
Energy: 1.27919767552871
Energy: 1.2759612863671406
Energy: 1.27919767552871
Energy: 1.1505220059213441
Energy: 1.1571665604104566
Energy: 1.3108726918804627
Energy: 1.1571665604104566
Energy: 1.1505220059213441
Energy: 1.1571665604104566
Energy: 1.1503656391284063
Energy: 1.333476024267242
Energy: 1.1406429139765732
Energy: 1.333476024266398
Energy: 1.1503656391275618
Energy: 1.333476024267242
Energy: 1.5275665396795914
Energy: 1.2630437471569083
Energy: 1.1407808755504718
Energy: 1.263043747156064
Energy: 1.5275665396787474
Energy: 1.2630437471569083
Energy: 1.587683416811316
Energy: 1.2892162373697393
Energy: 1.2890382866256065
Energy: 1.2892162373705833
Energy: 1.587683416811316
Energy: 1.2892162373697393
Energy: 1.1504234311357961
Energy: 1.3140878599324373
Energy: 1.1406588466264393
Energy: 1.3140878599324373
Energy: 1.1504234311357961
Energy: 1.3140878599324373
Energy: 1.1505964467160594
Energy: 1.150596454301896
Energy: 1.5617925982972929
Energy: 1.150596454301896
Energy: 1.1505964467160594
Energy: 1.150596454301896
Energy: 1.1578096640922173
Energy: 1.272692592333359
Energy: 1.3129015709278558
Energy: 1.272692592333359
Energy: 1.1578096640922173
Energy: 1.272692592333359
Energy: 1.2764030818664216
Energy: 1.1686685181233847
Energy: 1.2000927442037648
Energy: 1.1686685181225402
Energy: 1.2764030818664216
Energy: 1.168668518124229
Energy: 1.2759375217304811
Energy: 1.167398811140862
Energy: 1.1285567849776839
Energy: 1.167398811140862
Energy: 1.275937521729637
Energy: 1.167398811140862
Energy: 1.2764639001384532
Energy: 1.2526738875606196
Energy: 1.1422181782666436
Energy: 1.2526738875606196
Energy: 1.2764639001392977
Energy: 1.2526738875606196
Energy: 1.1964014008463109
Energy: 1.141084968410176
Energy: 1.3110435185014195
Energy: 1.141084968410176
Energy: 1.1964014008479995
Energy: 1.141084968410176
Energy: 1.151489909616507
Energy: 1.1500274547414326
Energy: 1.47170066624912
Energy: 1.1500274547414326
Energy: 1.1514899096173516
Energy: 1.1500274547414326
Energy: 1.161497913390976
Energy: 1.1669447028361526
Energy: 1.1431033557197479
Energy: 1.1669447028361526
Energy: 1.161497913390976
Energy: 1.1669447028361526
Energy: 1.6095029013318785
Energy: 1.2693940642565287
Energy: 1.1658620766717505
Energy: 1.2693940642565287
Energy: 1.6095029013327227
Energy: 1.2693940642565287
Energy: 1.1560981046250196
Energy: 1.1668801441282552
Energy: 1.141002654273424
Energy: 1.1668801441282552
Energy: 1.1560981046258636
Energy: 1.1668801441282552

minimum gb energy = 1.1271259855964506 eV
minimum distance =  2.23908936188199 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.3277351661660806
Energy: 1.1817472599947532
Energy: 1.6090874433968596
Energy: 1.1817472599947532
Energy: 1.3277351661660806
Energy: 1.1817472599935501
Energy: 1.1467132395504163
Energy: 1.102329965995364
Energy: 1.1079591298844709
Energy: 1.102329965996567
Energy: 1.1467132395480104
Energy: 1.102329965996567
Energy: 1.1018377734152809
Energy: 1.172339329007573
Energy: 1.0975644688336046
Energy: 1.172339329007573
Energy: 1.1018377734152809
Energy: 1.172339329007573
Energy: 1.4843224228251573
Energy: 1.172950285490122
Energy: 1.2539648730596278
Energy: 1.1729502854889187
Energy: 1.4843224228251573
Energy: 1.1729502854889187
Energy: 1.2531236136852566
Energy: 1.1689223052893793
Energy: 1.13905235340704
Energy: 1.1689223052905824
Energy: 1.2531236136852566
Energy: 1.1689223052905824
Energy: 1.2536954764728665
Energy: 1.100992062703564
Energy: 1.0919639687406895
Energy: 1.100992062704767
Energy: 1.2536954764728665
Energy: 1.100992062703564
Energy: 1.1223241333249552
Energy: 1.1009522718930436
Energy: 1.1018300470220819
Energy: 1.1009522718930436
Energy: 1.1223241333249552
Energy: 1.1009522718930436
Energy: 1.251284778707755
Energy: 1.4375978786811305
Energy: 1.6567962162957566
Energy: 1.4375978786811305
Energy: 1.251284778708958
Energy: 1.4375978786823334
Energy: 1.254767414206907
Energy: 1.1015427400377307
Energy: 1.6467316984644855
Energy: 1.1015427400377307
Energy: 1.254767414206907
Energy: 1.1015427400377307
Energy: 1.25278795740399
Energy: 1.1014977916848947
Energy: 1.1053565127831124
Energy: 1.1014977916848947
Energy: 1.25278795740399
Energy: 1.1014977916848947
Energy: 1.2573645709358903
Energy: 1.1017201716859173
Energy: 1.1036415135994861
Energy: 1.1017201716847143
Energy: 1.2573645709358903
Energy: 1.1017201716859173
Energy: 1.2541706635235943
Energy: 1.165504510996062
Energy: 1.2532801876346817
Energy: 1.165504510996062
Energy: 1.2541706635235943
Energy: 1.1655045109948594
Energy: 1.1031367273313912
Energy: 1.1025148520485692
Energy: 1.2572815537221798
Energy: 1.1025148520473664
Energy: 1.1031367273313912
Energy: 1.1025148520485692
Energy: 1.1078059629821893
Energy: 1.1056807483617097
Energy: 1.253092435401445
Energy: 1.1056807483617097
Energy: 1.1078059629821893
Energy: 1.1056807483617097
Energy: 1.3173727755717413
Energy: 1.3008769164908551
Energy: 1.254921097353848
Energy: 1.3008769164920582
Energy: 1.3173727755717413
Energy: 1.3008769164908551
Energy: 1.343278043294041
Energy: 1.3267256054761045
Energy: 1.2507675221722048
Energy: 1.3267256054761045
Energy: 1.3432780433685718
Energy: 1.3267256054761045
Energy: 1.1025022598961254
Energy: 1.1007559334549986
Energy: 1.0944975013741418
Energy: 1.1007559334549986
Energy: 1.1025022598949223
Energy: 1.1007559334549986
Energy: 1.0944102515221668
Energy: 1.1011236651906777
Energy: 1.2535535382296306
Energy: 1.1011236651906777
Energy: 1.0944102515209637
Energy: 1.1011236651906777
Energy: 1.1382337939572236
Energy: 1.181585228093214
Energy: 1.2531071014448023
Energy: 1.1815852280968229
Energy: 1.1382337939596296
Energy: 1.1815852280860508
Energy: 1.2543404623817185
Energy: 1.1027772498905866
Energy: 1.3404338489403296
Energy: 1.1027772498881807
Energy: 1.2543404623817185
Energy: 1.1027772498893835
Energy: 1.2469999775412557
Energy: 1.1366478047346245
Energy: 1.0863902653081494
Energy: 1.1366478047334214
Energy: 1.2469999775376468
Energy: 1.1366478047346245
Energy: 1.109625996843268
Energy: 1.1018852691694458
Energy: 1.3206401579520024
Energy: 1.1018852691682426
Energy: 1.109625996843268
Energy: 1.1018852691694458
Energy: 1.359131909395075
Energy: 1.0909930399472076
Energy: 1.148683768172043
Energy: 1.0909930399460046
Energy: 1.359131909395075
Energy: 1.0909930399472076

minimum gb energy = 1.0863902653081494 eV
minimum distance =  2.26994200054085 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.4334315246534375
Energy: 1.0677757146800588
Energy: 1.5842631748489744
Energy: 1.0677757146792954
Energy: 1.4334315246534375
Energy: 1.0677757146800588
Energy: 1.4927109549948234
Energy: 1.0490221867100664
Energy: 1.027548268752964
Energy: 1.0490221867108296
Energy: 1.4927109549940603
Energy: 1.049022186711593
Energy: 1.031543124493808
Energy: 1.1093844903999266
Energy: 1.4913246411226773
Energy: 1.1093844903999266
Energy: 1.031543124493808
Energy: 1.1093844903999266
Energy: 1.109038303656801
Energy: 1.0279489270112832
Energy: 1.0436418027207508
Energy: 1.0279489270112832
Energy: 1.109038303656038
Energy: 1.0279489270112832
Energy: 1.3729340238955265
Energy: 1.028464323703514
Energy: 1.356912498035212
Energy: 1.0284643237507953
Energy: 1.3729340238955265
Energy: 1.0284643237370585
Energy: 1.3687976426594415
Energy: 1.0500495537039864
Energy: 1.0346032901778335
Energy: 1.0500495537039864
Energy: 1.3687976426602044
Energy: 1.0500495537039864
Energy: 1.0322599598752202
Energy: 1.0490913613736825
Energy: 1.0563075408857512
Energy: 1.0490913613736825
Energy: 1.0322599598752202
Energy: 1.0490913613736825
Energy: 1.0510318941954666
Energy: 1.0274666243904838
Energy: 1.369873157380351
Energy: 1.0274666243897206
Energy: 1.0510318941954666
Energy: 1.0274666243904838
Energy: 1.3582600937237304
Energy: 1.2824585093985017
Energy: 1.370858296477798
Energy: 1.2824585093977385
Energy: 1.3582600937237304
Energy: 1.2824585093985017
Energy: 1.0465083921416045
Energy: 1.1110698991674144
Energy: 1.0345495381851246
Energy: 1.046611199196104
Energy: 1.0465083921416045
Energy: 1.1110698991674144
Energy: 1.0349314731844381
Energy: 1.050418791789998
Energy: 1.0534644265606774
Energy: 1.0504187917907613
Energy: 1.0349314731844381
Energy: 1.050418791789998
Energy: 1.0309495633954608
Energy: 1.1091624626141892
Energy: 1.4943047256114075
Energy: 1.1091624626141892
Energy: 1.0309495633954608
Energy: 1.1091624626141892
Energy: 1.3791978334428259
Energy: 1.3611033976542954
Energy: 1.4178531775589747
Energy: 1.3611033976535323
Energy: 1.3791978334420627
Energy: 1.3611033976527693
Energy: 1.0278856426441283
Energy: 1.0499475120903057
Energy: 1.0359618344824406
Energy: 1.0499475120903057
Energy: 1.0278856426441283
Energy: 1.0499475120903057
Energy: 1.4021377688240158
Energy: 1.109102853149598
Energy: 1.0284060374655837
Energy: 1.109102853149598
Energy: 1.4021377688240158
Energy: 1.109102853149598
Energy: 1.043211752568364
Energy: 1.0279767181421933
Energy: 1.5000252850174132
Energy: 1.0279767181414303
Energy: 1.0432117525691271
Energy: 1.0279767181421933
Energy: 1.5427628637115844
Energy: 1.0517866193152148
Energy: 1.38923459295947
Energy: 1.0517866193236096
Energy: 1.5427628637123476
Energy: 1.0517866193144516
Energy: 1.0292675264030409
Energy: 1.048755049247778
Energy: 1.2897299427197861
Energy: 1.0487550492485411
Energy: 1.0292675264022777
Energy: 1.048755049247778
Energy: 1.1943879769883434
Energy: 1.0486720600505517
Energy: 1.028567146058089
Energy: 1.0486720600505517
Energy: 1.1943879769883434
Energy: 1.0486720600513149
Energy: 1.3684162366003159
Energy: 1.0288800820310489
Energy: 1.0512230119587478
Energy: 1.0288800820310489
Energy: 1.3684162366003159
Energy: 1.0288800820310489
Energy: 1.5145433898951355
Energy: 1.2764257953684233
Energy: 1.0444132466263043
Energy: 1.2764257953684233
Energy: 1.5145433898951355
Energy: 1.27642579536766
Energy: 1.0296457457849009
Energy: 1.0495251177944034
Energy: 1.3568102053942495
Energy: 1.0495251177951666
Energy: 1.0296457457849009
Energy: 1.0495251177944034
Energy: 1.0571017564279708
Energy: 1.0503857123844937
Energy: 1.0290864133448605
Energy: 1.0503857123844937
Energy: 1.0571017564272076
Energy: 1.0503857123844937
Energy: 1.4150478629374155
Energy: 1.1119854434257173
Energy: 1.0281558354028761
Energy: 1.1119854434257173
Energy: 1.4150478629374155
Energy: 1.1119854434257173
Energy: 1.4938812811969173
Energy: 1.1080600294816358
Energy: 1.034686831485757
Energy: 1.1080600294816358
Energy: 1.4938812811976807
Energy: 1.1080600294816358
Energy: 1.0554244354030635
Energy: 1.3842429070435764
Energy: 1.0315175170950934
Energy: 1.3842429070443396
Energy: 1.055424435403827
Energy: 1.3842429070443396
Energy: 1.0318391182101898
Energy: 1.0497922462241789
Energy: 1.3585759638484936
Energy: 1.0497922462241789
Energy: 1.0318391182101898
Energy: 1.0497922462241789
Energy: 1.3686060216301905
Energy: 1.2710014700342729
Energy: 1.0465037965650614
Energy: 1.2710014700357992
Energy: 1.3686060216301905
Energy: 1.2710014700342729
Energy: 1.3731700394708797
Energy: 1.0280996848708301
Energy: 1.049909749597057
Energy: 1.0280996848708301
Energy: 1.3731700394701165
Energy: 1.0280996848700668
Energy: 1.0511270843309797
Energy: 1.048761374309933
Energy: 1.029591984002211
Energy: 1.048761374309933
Energy: 1.0511270843309797
Energy: 1.0487613743091697
Energy: 1.0315158667487503
Energy: 1.2593495927312184
Energy: 1.0281111312038729
Energy: 1.2593495927312184
Energy: 1.0315158667487503
Energy: 1.2593495927312184
Energy: 1.3573002742764602
Energy: 1.051923428463793
Energy: 1.3683366836423414
Energy: 1.0519234284645562
Energy: 1.3573002742756972
Energy: 1.051923428463793
Energy: 1.0434027103672598
Energy: 1.2141059791626527
Energy: 1.4531733221472571
Energy: 1.2141059791626527
Energy: 1.0434027103672598
Energy: 1.2141059791626527
Energy: 1.2887576587066427
Energy: 1.1088584333386253
Energy: 1.029048886082489
Energy: 1.1088584333386253
Energy: 1.2887576587074059
Energy: 1.1088584333386253
Energy: 1.0275053288530414
Energy: 1.0489925680402032
Energy: 1.2834243830173793
Energy: 1.0489925680402032
Energy: 1.0275053288530414
Energy: 1.0489925680402032
Energy: 1.3797077934717752
Energy: 1.0678280105520654
Energy: 1.4125812377839035
Energy: 1.0678280105505393
Energy: 1.3797077934710122
Energy: 1.0678280105513025
Energy: 1.0284866603464067
Energy: 1.109741123795809
Energy: 1.4933329942307179
Energy: 1.109741123795809
Energy: 1.0284866603464067
Energy: 1.109741123795809

minimum gb energy = 1.0274666243897206 eV
minimum distance =  2.26940283676034 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.8898619513124971
Energy: 0.8642621214021726
Energy: 1.7669012688574217
Energy: 0.8642621214021726
Energy: 0.8898619513124971
Energy: 0.8642621214021726
Energy: 1.5231270530850436
Energy: 0.8629060017103768
Energy: 0.8643810530284428
Energy: 0.8629060017082931
Energy: 1.5231270530850436
Energy: 0.8629060017103768
Energy: 0.8902329833503068
Energy: 1.0972109843012232
Energy: 0.8669932851197607
Energy: 1.0972109842991395
Energy: 0.8902329833523903
Energy: 1.0972109843012232
Energy: 1.5808806363579329
Energy: 0.8631393998269336
Energy: 0.8644700276467113
Energy: 0.8631393998269336
Energy: 1.5808806363579329
Energy: 0.8631393998269336
Energy: 0.8902072518319332
Energy: 0.8630021429513015
Energy: 0.8658088763632366
Energy: 0.8630021429513015
Energy: 0.8902072518319332
Energy: 0.8630021429513015
Energy: 0.8902334738231128
Energy: 0.9062217881526349
Energy: 0.8648961217134169
Energy: 0.9062217881505513
Energy: 0.8902334738231128
Energy: 0.9062217881526349
Energy: 1.5788967652634394
Energy: 0.8632266316793423
Energy: 0.8651280286590985
Energy: 0.8632266316793423
Energy: 1.5788967651176313
Energy: 0.8632266316793423
Energy: 0.888586670852557
Energy: 0.8634436097397724
Energy: 0.8656859365731416
Energy: 0.8634436097397724
Energy: 0.8885866708546407
Energy: 0.8634436097397724
Energy: 1.5084816328297361
Energy: 0.905974605898406
Energy: 0.8646884370747302
Energy: 0.9059746058963222
Energy: 1.5084816328276525
Energy: 0.905974605898406
Energy: 0.8902415236096416
Energy: 0.8633668770199487
Energy: 0.8667980975983925
Energy: 0.8633668770199487
Energy: 0.8902415236096416
Energy: 0.8633668770199487
Energy: 1.5154995635095416
Energy: 0.8631779049565348
Energy: 0.8645940494818455
Energy: 0.8631779049565348
Energy: 1.5154995635095416
Energy: 0.8631779049565348
Energy: 0.8903234519032194
Energy: 1.0969374342568925
Energy: 1.4915981246045311
Energy: 1.0969374342568925
Energy: 0.8903234519032194
Energy: 1.0969374342568925
Energy: 1.5155012398907248
Energy: 0.8631921921904124
Energy: 0.8645884324983487
Energy: 0.8631921921904124
Energy: 1.5155012398907248
Energy: 0.8631921921904124
Energy: 0.8902331718408443
Energy: 0.8632519393512423
Energy: 0.8667998363758198
Energy: 0.8632519393512423
Energy: 0.8902331718408443
Energy: 0.8632519393512423

minimum gb energy = 0.8629060017082931 eV
minimum distance =  2.35507090143895 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.511946396053928
Energy: 1.1888030233479705
Energy: 1.5869536907945676
Energy: 1.1888030233479705
Energy: 1.5119463960530128
Energy: 1.1888030233479705
Energy: 1.1256983008137125
Energy: 1.151168778768744
Energy: 1.1245712241143946
Energy: 1.151168778768744
Energy: 1.125698300814628
Energy: 1.151168778768744
Energy: 1.125054379692956
Energy: 1.2283259877838177
Energy: 1.1249639643920741
Energy: 1.2283259877838177
Energy: 1.125054379692956
Energy: 1.2283259877838177
Energy: 1.1508239642417182
Energy: 1.1513719440913377
Energy: 1.1245806389028827
Energy: 1.1513719440913377
Energy: 1.1508239642417182
Energy: 1.1513719440913377
Energy: 1.124697050780406
Energy: 1.2232757656885895
Energy: 1.150801353649628
Energy: 1.2232757656876745
Energy: 1.124697050780406
Energy: 1.2232757656885895
Energy: 1.158446815642027
Energy: 1.212072758700211
Energy: 1.1245683071301522
Energy: 1.2120727587011262
Energy: 1.158446815642027
Energy: 1.212072758700211
Energy: 1.1509159550992962
Energy: 1.2239938077306116
Energy: 1.1546766563993425
Energy: 1.223993807731527
Energy: 1.1509159550992962
Energy: 1.2239938077306116
Energy: 1.1259810551042055
Energy: 1.1523506165397686
Energy: 1.1246617771578424
Energy: 1.1523506165397686
Energy: 1.1259810551051208
Energy: 1.1523506165397686
Energy: 1.125653717249663
Energy: 1.2363641411670876
Energy: 1.1243270605519426
Energy: 1.2363641411670876
Energy: 1.125653717249663
Energy: 1.236364141168003
Energy: 1.1242809741063167
Energy: 1.1511843397454795
Energy: 1.1511974377086651
Energy: 1.1511843397454795
Energy: 1.1242809741063167
Energy: 1.1511843397454795
Energy: 1.140104550964148
Energy: 1.1246854822813122
Energy: 1.1556491232170825
Energy: 1.1246854822813122
Energy: 1.1401045509650634
Energy: 1.1246854822813122
Energy: 1.125920588199739
Energy: 1.2122600508116401
Energy: 1.1554301258517234
Energy: 1.2122600508116401
Energy: 1.125920588199739
Energy: 1.2122600508116401
Energy: 1.1248095301139995
Energy: 1.1512806820354065
Energy: 1.3102717140989415
Energy: 1.1512806820354065
Energy: 1.1248095301139995
Energy: 1.1512806820354065
Energy: 1.1519478915733254
Energy: 1.2382872131150615
Energy: 1.1519083957502787
Energy: 1.2382872131150615
Energy: 1.1519478915733254
Energy: 1.2382872131150615
Energy: 1.1244974975740496
Energy: 1.46742650087333
Energy: 1.1270914935611211
Energy: 1.46742650087333
Energy: 1.1244974975740496
Energy: 1.46742650087333
Energy: 1.153911328325926
Energy: 1.1291475430014777
Energy: 1.154725351443917
Energy: 1.1291475430014777
Energy: 1.153911328325926
Energy: 1.1291475430014777
Energy: 1.1547488079621322
Energy: 1.2224545741250055
Energy: 1.1252053645631739
Energy: 1.222454574125921
Energy: 1.1547488079630477
Energy: 1.2224545741277515
Energy: 1.1246052131058324
Energy: 1.4675776864638355
Energy: 1.1241978258788876
Energy: 1.4675776864638355
Energy: 1.1246052131058324
Energy: 1.4675776864638355
Energy: 1.1510848186461728
Energy: 1.1514228630833552
Energy: 1.1513414081162823
Energy: 1.1514228630833552
Energy: 1.1510848186461728
Energy: 1.1514228630833552
Energy: 1.1245464952993014
Energy: 1.1514905128552233
Energy: 1.1270716789805537
Energy: 1.1514905128561386
Energy: 1.1245464952983861
Energy: 1.1514905128561386
Energy: 1.1553285503845532
Energy: 1.2119618030318338
Energy: 1.1251554193256372
Energy: 1.2119618030309183
Energy: 1.1553285503845532
Energy: 1.2119618030318338
Energy: 1.1554658511923868
Energy: 1.1252735643244967
Energy: 1.1519056806162715
Energy: 1.1252735643244967
Energy: 1.1554658511923868
Energy: 1.1252735643244967
Energy: 1.292197315643676
Energy: 1.1512114949310046
Energy: 1.1604940655133524
Energy: 1.1512114949310046
Energy: 1.292197315643676
Energy: 1.1512114949319199
Energy: 1.1244485573012477
Energy: 1.2363518708294996
Energy: 1.1251426539258251
Energy: 1.2363518708294996
Energy: 1.1244485573012477
Energy: 1.2363518708294996
Energy: 1.1272165938253658
Energy: 1.1888930965936577
Energy: 1.1249505824138137
Energy: 1.1888930965936577
Energy: 1.1272165938253658
Energy: 1.1888930965936577
Energy: 1.1548609312752698
Energy: 1.2228417776060405
Energy: 1.1508605744380842
Energy: 1.2228417776060405
Energy: 1.1548609312752698
Energy: 1.2228417776060405
Energy: 1.124752548142501
Energy: 1.2120891962488496
Energy: 1.1247518642376475
Energy: 1.2120891962479343
Energy: 1.124752548143416
Energy: 1.2120891962488496
Energy: 1.1508739088936861
Energy: 1.2227235715810094
Energy: 1.1587111582329472
Energy: 1.2227235715810094
Energy: 1.1508739088936861
Energy: 1.2227235715810094
Energy: 1.125093959446661
Energy: 1.152129804055679
Energy: 1.150883203813794
Energy: 1.152129804055679
Energy: 1.125093959446661
Energy: 1.152129804055679
Energy: 1.1244619542158012
Energy: 1.1520677207243522
Energy: 1.1261899034785816
Energy: 1.1520677207243522
Energy: 1.1244619542158012
Energy: 1.1520677207243522
Energy: 1.1243880333890002
Energy: 1.1511980366727805
Energy: 1.1261173633565684
Energy: 1.1511980366727805
Energy: 1.1243880333890002
Energy: 1.151198036673696

minimum gb energy = 1.1241978258788876 eV
minimum distance =  2.24360788541908 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.2633068984541513
Energy: 1.2637156664636002
Energy: 1.545329168177337
Energy: 1.2637156664636002
Energy: 1.2633068984541513
Energy: 1.2637156664636002
Energy: 1.2086557920641499
Energy: 1.3121271304712419
Energy: 1.2081005255047215
Energy: 1.209358043934985
Energy: 1.2086557920641499
Energy: 1.2593208758264252
Energy: 1.2026561701999432
Energy: 1.3309044139316895
Energy: 1.208105870522158
Energy: 1.3309044139316895
Energy: 1.2026561701999432
Energy: 1.3309044139316895
Energy: 1.208403859736093
Energy: 1.3412183484436082
Energy: 1.2084162824625237
Energy: 1.2839706273501021
Energy: 1.208403859736093
Energy: 1.3412183484419793
Energy: 1.2081180862746652
Energy: 1.3308818733293903
Energy: 1.20228029631415
Energy: 1.3308818733293903
Energy: 1.2081180862746652
Energy: 1.3308818733310193
Energy: 1.20805709871075
Energy: 1.2094396422599785
Energy: 1.2086833000093926
Energy: 1.2094396422599785
Energy: 1.20805709871075
Energy: 1.2094396422599785
Energy: 1.4508013530416488
Energy: 1.2637156664619713
Energy: 1.2633068984541513
Energy: 1.2637156664636002
Energy: 1.4508013530416488
Energy: 1.2637156664636002
Energy: 1.2081005255047215
Energy: 1.3121271304712419
Energy: 1.2086557920641499
Energy: 1.3121271304712419
Energy: 1.2081005255047215
Energy: 1.3121271304712419
Energy: 1.208105870522158
Energy: 1.3309044139316895
Energy: 1.2026561701999432
Energy: 1.3309044139316895
Energy: 1.208105870522158
Energy: 1.3309044139316895
Energy: 1.2084162824625237
Energy: 1.3412183484419793
Energy: 1.208403859736093
Energy: 1.3412183484403506
Energy: 1.2084162824625237
Energy: 1.463568954732447
Energy: 1.20228029631415
Energy: 1.3308818733293903
Energy: 1.2081180862746652
Energy: 1.3308818733293903
Energy: 1.20228029631415
Energy: 1.3308818733310193
Energy: 1.2086833000093926
Energy: 1.2094396422599785
Energy: 1.20805709871075
Energy: 1.2094396422599785
Energy: 1.2086833000093926
Energy: 1.2094396422599785
Energy: 1.2633068984541513
Energy: 1.2637156664636002
Energy: 1.3644200290072905
Energy: 1.2637156664619713
Energy: 1.2633068984541513
Energy: 1.2637156664636002
Energy: 1.2086557920641499
Energy: 1.2593208758264252
Energy: 1.2081005255047215
Energy: 1.2593208758264252
Energy: 1.2086557920641499
Energy: 1.2593208758264252
Energy: 1.2026561701999432
Energy: 1.3309044139316895
Energy: 1.208105870522158
Energy: 1.3309044139316895
Energy: 1.2026561701999432
Energy: 1.3309044139316895
Energy: 1.208403859736093
Energy: 1.3412183484370928
Energy: 1.2084162824625237
Energy: 1.3412183484387217
Energy: 1.208403859736093
Energy: 1.3412183484338354
Energy: 1.2081180862746652
Energy: 1.3308818733293903
Energy: 1.20228029631415
Energy: 1.3308818733310193
Energy: 1.2081180862746652
Energy: 1.3308818733310193

minimum gb energy = 1.20228029631415 eV
minimum distance =  2.25789970105941 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.3146082093645217
Energy: 1.3067981359153822
Energy: 1.4249097760434153
Energy: 1.3067981359140524
Energy: 1.3146082093645217
Energy: 1.3067981359140524
Energy: 1.2771226390239097
Energy: 1.3503922163407844
Energy: 1.3047604441898952
Energy: 1.3503922163407844
Energy: 1.2771226390239097
Energy: 1.3503922163421145
Energy: 1.31697835239853
Energy: 1.3357963388032943
Energy: 1.307029781858241
Energy: 1.3357963388032943
Energy: 1.31697835239986
Energy: 1.3357963388046241
Energy: 1.3168630000818502
Energy: 1.322584865908646
Energy: 1.2836488996759605
Energy: 1.322584865908646
Energy: 1.3168630000818502
Energy: 1.322584865908646
Energy: 1.2775616274035881
Energy: 1.4168923724585618
Energy: 1.3072680805357706
Energy: 1.4168923724598916
Energy: 1.2775616274035881
Energy: 1.4168923724585618
Energy: 1.3170786848771645
Energy: 1.3199506918492914
Energy: 1.3369386645825811
Energy: 1.3199506918492914
Energy: 1.3170786848758347
Energy: 1.3199506918492914
Energy: 1.3184350384581873
Energy: 1.4631880800004489
Energy: 1.3073894054295776
Energy: 1.4631880799991188
Energy: 1.3184350384581873
Energy: 1.4631880800004489
Energy: 1.294677909628766
Energy: 1.3483373625615054
Energy: 1.3046396247850085
Energy: 1.3483373625615054
Energy: 1.294677909628766
Energy: 1.3483373625615054
Energy: 1.2923107689855295
Energy: 1.458485384553997
Energy: 1.284743600123918
Energy: 1.458485384553997
Energy: 1.2923107689855295
Energy: 1.458485384553997
Energy: 1.3531685663669455
Energy: 1.5697484130174026
Energy: 1.3052244022786978
Energy: 1.5697484130174026
Energy: 1.3531685663669455
Energy: 1.5697484130174026
Energy: 1.3193132235870006
Energy: 1.3641172333667226
Energy: 1.2832763845386885
Energy: 1.3641172333667226
Energy: 1.3193132235870006
Energy: 1.3641172333667226
Energy: 1.3165800451055156
Energy: 1.3191772771928794
Energy: 1.2974254119176452
Energy: 1.3191772771928794
Energy: 1.3165800451055156
Energy: 1.3191772771928794
Energy: 1.3189959536504285
Energy: 1.317869028982196
Energy: 1.3133256634414683
Energy: 1.317869028982196
Energy: 1.3189959536504285
Energy: 1.317869028982196
Energy: 1.3168042452369026
Energy: 1.3178066770071806
Energy: 1.2836863970466883
Energy: 1.3178066770071806
Energy: 1.3168042452369026
Energy: 1.3178066770085104
Energy: 1.3482811042111693
Energy: 1.462781071400464
Energy: 1.3218569943462786
Energy: 1.462781071401794
Energy: 1.3482811042111693
Energy: 1.462781071400464
Energy: 1.2922498410275585
Energy: 1.3515397950911268
Energy: 1.2835612280019575
Energy: 1.3515397950911268
Energy: 1.2922498410288887
Energy: 1.3515397950911268
Energy: 1.2926183458373834
Energy: 1.3494942212097663
Energy: 1.2984091684930255
Energy: 1.3494942212097663
Energy: 1.2926183458373834
Energy: 1.3494942212097663
Energy: 1.3686241186261245
Energy: 1.4626189249241877
Energy: 1.3050412228813713
Energy: 1.4626189249241877
Energy: 1.3686241186261245
Energy: 1.4626189249241877
Energy: 1.3198032706944487
Energy: 1.3187614759117219
Energy: 1.3116601646277335
Energy: 1.3187614759117219
Energy: 1.3198032706944487
Energy: 1.3187614759117219
Energy: 1.3167426059437324
Energy: 1.4670090460769765
Energy: 1.3057971065266565
Energy: 1.4670090460783063
Energy: 1.3167426059437324
Energy: 1.4670090460769765
Energy: 1.319481105900929
Energy: 1.3186359541333292
Energy: 1.294419409115925
Energy: 1.3186359541333292
Energy: 1.319481105900929
Energy: 1.3186359541333292

minimum gb energy = 1.2771226390239097 eV
minimum distance =  2.25100965348535 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.4251361665452298
Energy: 1.2819339174147557
Energy: 1.3294935737789764
Energy: 1.2819339174147557
Energy: 1.4251361665452298
Energy: 1.2819339174147557
Energy: 1.266745006817
Energy: 1.2655039856477
Energy: 1.2665644157203708
Energy: 1.265503985648821
Energy: 1.266745006817
Energy: 1.2655039856477
Energy: 1.2796856738998923
Energy: 1.280297545762297
Energy: 1.2675638357605172
Energy: 1.280297545762297
Energy: 1.2796856739010134
Energy: 1.280297545762297
Energy: 1.2688886866621354
Energy: 1.438340512094012
Energy: 1.2803295674903312
Energy: 1.438340512094012
Energy: 1.2688886866621354
Energy: 1.438340512094012
Energy: 1.2676798629011086
Energy: 1.5116572729506366
Energy: 1.2670752110723793
Energy: 1.5116572729506366
Energy: 1.2676798629011086
Energy: 1.5116572729506366
Energy: 1.2829184490995797
Energy: 1.2801391608166104
Energy: 1.281236175271979
Energy: 1.2801391608166104
Energy: 1.282918449100701
Energy: 1.2801391608166104
Energy: 1.2690958343631884
Energy: 1.4460568478859146
Energy: 1.2666579031130398
Energy: 1.4460568478859146
Energy: 1.2690958343631884
Energy: 1.4460568478859146
Energy: 1.266323834999351
Energy: 1.3838342604372715
Energy: 1.2663143495342457
Energy: 1.3838342604383926
Energy: 1.266323834999351
Energy: 1.3838342604383926
Energy: 1.37268300482094
Energy: 1.430435999191
Energy: 1.346555069492425
Energy: 1.430435999191
Energy: 1.37268300482094
Energy: 1.430435999191
Energy: 1.2661482328569151
Energy: 1.267951909781098
Energy: 1.3141248130289982
Energy: 1.267951909781098
Energy: 1.2661482328569151
Energy: 1.267951909781098
Energy: 1.2661386903742493
Energy: 1.2683948208529658
Energy: 1.3141585005263832
Energy: 1.2683948208529658
Energy: 1.2661386903742493
Energy: 1.2683948208518452
Energy: 1.3726348182966872
Energy: 1.4304287770708286
Energy: 1.3465459624332887
Energy: 1.4304287770708286
Energy: 1.3726348182966872
Energy: 1.4304287770708286
Energy: 1.2662856779181724
Energy: 1.3842815774685084
Energy: 1.2667432686660918
Energy: 1.3842815774685084
Energy: 1.2662856779181724
Energy: 1.3842815774685084
Energy: 1.2688357084944715
Energy: 1.4458916861964315
Energy: 1.2664914218003294
Energy: 1.4458916861964315
Energy: 1.2688357084944715
Energy: 1.4458916861964315
Energy: 1.2830888379759064
Energy: 1.2801060753030962
Energy: 1.2814859299328818
Energy: 1.280106075301975
Energy: 1.2830888379759064
Energy: 1.280106075301975
Energy: 1.2676876823761165
Energy: 1.5116572729517577
Energy: 1.2673055940082891
Energy: 1.5116572729506366
Energy: 1.2676876823761165
Energy: 1.5116572729506366
Energy: 1.2691077565420958
Energy: 1.4383460022611052
Energy: 1.2670777004036842
Energy: 1.4383460022611052
Energy: 1.2691077565420958
Energy: 1.4383460022611052
Energy: 1.2797202240642438
Energy: 1.2807079464928475
Energy: 1.2677424414631717
Energy: 1.2807079464917266
Energy: 1.2797202240642438
Energy: 1.2807079464928475
Energy: 1.2674546390509966
Energy: 1.2653999377226604
Energy: 1.2672617752669877
Energy: 1.2653999377226604
Energy: 1.2674546390509966
Energy: 1.2653999377226604
Energy: 1.4251361665452298
Energy: 1.2819339174147557
Energy: 1.3746569548027472
Energy: 1.2819339174147557
Energy: 1.4251361665452298
Energy: 1.2819339174147557
Energy: 1.266745006817
Energy: 1.265503985648821
Energy: 1.2665644157203708
Energy: 1.2655039856477
Energy: 1.266745006817
Energy: 1.265503985648821
Energy: 1.2796856739010134
Energy: 1.280297545762297
Energy: 1.2675638357605172
Energy: 1.280297545762297
Energy: 1.2796856739010134
Energy: 1.280297545762297
Energy: 1.2688886866632565
Energy: 1.438340512094012
Energy: 1.2803295674903312
Energy: 1.438340512094012
Energy: 1.2688886866632565
Energy: 1.438340512094012
Energy: 1.2676798629011086
Energy: 1.5116572729506366
Energy: 1.2670752110723793
Energy: 1.5116572729506366
Energy: 1.2676798629011086
Energy: 1.5116572729506366
Energy: 1.282918449100701
Energy: 1.2801391608166104
Energy: 1.281236175271979
Energy: 1.2801391608166104
Energy: 1.282918449100701
Energy: 1.2801391608166104

minimum gb energy = 1.2653999377226604 eV
minimum distance =  2.28167839474575 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.4065562038504003
Energy: 1.2426946926210094
Energy: 1.39318665904134
Energy: 1.2426946926210094
Energy: 1.4065562038504003
Energy: 1.2426946926210094
Energy: 1.2514795731574155
Energy: 1.3845163347236156
Energy: 1.226468748451676
Energy: 1.3845163347236156
Energy: 1.2514795731583832
Energy: 1.3845163347236156
Energy: 1.2436808693639334
Energy: 1.4204577623335417
Energy: 1.2266518694765023
Energy: 1.4204577623335417
Energy: 1.2436808693639334
Energy: 1.420457762332574
Energy: 1.2515100856507568
Energy: 1.4498289929226977
Energy: 1.2745828010209246
Energy: 1.4498289929226977
Energy: 1.2515100856507568
Energy: 1.4498289929226977
Energy: 1.2514594656852678
Energy: 1.3669186171259704
Energy: 1.281976665763381
Energy: 1.366918617125003
Energy: 1.2514594656852678
Energy: 1.3669186171259704
Energy: 1.2455520892143719
Energy: 1.393877989323552
Energy: 1.2793556623020832
Energy: 1.393877989323552
Energy: 1.2455520892143719
Energy: 1.39387798932452
Energy: 1.251895802349399
Energy: 1.4645491633696102
Energy: 1.28093801546105
Energy: 1.4645491633686425
Energy: 1.251895802349399
Energy: 1.4645491633686425
Energy: 1.2622273544291154
Energy: 1.3937126162632385
Energy: 1.2793278687699847
Energy: 1.3937126162632385
Energy: 1.2622273544291154
Energy: 1.3937126162622708
Energy: 1.2519357253256804
Energy: 1.430823059910383
Energy: 1.31694947647763
Energy: 1.430823059910383
Energy: 1.2519357253256804
Energy: 1.430823059910383
Energy: 1.2715314174846861
Energy: 1.3230581840540967
Energy: 1.22631765793014
Energy: 1.3230581840531288
Energy: 1.2715314174846861
Energy: 1.3230581840540967
Energy: 1.2622824948780396
Energy: 1.4212375149728151
Energy: 1.2641259395340068
Energy: 1.4212375149728151
Energy: 1.2622824948780396
Energy: 1.4212375149728151
Energy: 1.2669514896762846
Energy: 1.2283739428377347
Energy: 1.2278704057122207
Energy: 1.2283739428377347
Energy: 1.2669514896762846
Energy: 1.2283739428377347
Energy: 1.2666586467217185
Energy: 1.3310955010778553
Energy: 1.2276715078248415
Energy: 1.331095501078823
Energy: 1.2666586467217185
Energy: 1.3310955010778553
Energy: 1.2450246156555478
Energy: 1.4205452970292356
Energy: 1.2915783076864742
Energy: 1.4205452970292356
Energy: 1.2450246156555478
Energy: 1.4205452970292356
Energy: 1.2733354841340332
Energy: 1.4309881984510824
Energy: 1.2266614414548778
Energy: 1.4309881984510824
Energy: 1.2733354841340332
Energy: 1.4309881984510824
Energy: 1.2714574503001936
Energy: 1.3933579629069435
Energy: 1.228655786886847
Energy: 1.3933579629069435
Energy: 1.2714574503001936
Energy: 1.3933579629069435
Energy: 1.2428154534491334
Energy: 1.39321133122934
Energy: 1.228185948337077
Energy: 1.39321133122934
Energy: 1.2428154534491334
Energy: 1.39321133122934
Energy: 1.2715768877523999
Energy: 1.3186537929687585
Energy: 1.2265628178212857
Energy: 1.3186537929687585
Energy: 1.2715768877523999
Energy: 1.3186537929687585
Energy: 1.2428337367981126
Energy: 1.3932192420318659
Energy: 1.228168317736816
Energy: 1.3932192420318659
Energy: 1.2428337367981126
Energy: 1.3932192420318659
Energy: 1.2715405259962445
Energy: 1.3933651727148468
Energy: 1.2286467139365589
Energy: 1.3933651727138792
Energy: 1.2715405259952768
Energy: 1.3933651727138792
Energy: 1.273326264580219
Energy: 1.4310131084061266
Energy: 1.2266562241234524
Energy: 1.4310131084061266
Energy: 1.273326264580219
Energy: 1.4310131084061266
Energy: 1.2450236314427494
Energy: 1.4205307108321534
Energy: 1.2915321412014615
Energy: 1.420530710833121
Energy: 1.2450236314427494
Energy: 1.4205307108321534
Energy: 1.266678352569678
Energy: 1.3318749279734274
Energy: 1.2276745682187398
Energy: 1.3318749279734274
Energy: 1.266678352569678
Energy: 1.3318749279734274
Energy: 1.2667898284402224
Energy: 1.2284575738408432
Energy: 1.2278517205668924
Energy: 1.2284575738408432
Energy: 1.2667898284402224
Energy: 1.2284575738408432
Energy: 1.2622904673578075
Energy: 1.42114293492833
Energy: 1.264678125244774
Energy: 1.42114293492833
Energy: 1.2622904673578075
Energy: 1.4211429349273623
Energy: 1.2715195266187338
Energy: 1.3230403539393123
Energy: 1.2264295291928278
Energy: 1.3230403539393123
Energy: 1.2715195266187338
Energy: 1.3230403539393123
Energy: 1.2526292526047678
Energy: 1.430821592019893
Energy: 1.2841104679988626
Energy: 1.430821592019893
Energy: 1.2526292526047678
Energy: 1.430821592019893
Energy: 1.2622593412703744
Energy: 1.3937206254262888
Energy: 1.2792493681601056
Energy: 1.3937206254262888
Energy: 1.2622593412703744
Energy: 1.3937206254262888
Energy: 1.2519768825540278
Energy: 1.4645491633686425
Energy: 1.2809308065004674
Energy: 1.4645491633686425
Energy: 1.2519768825540278
Energy: 1.4645491633686425

minimum gb energy = 1.22631765793014 eV
minimum distance =  2.2473515557082 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.3743269320323435
Energy: 1.2844899885113332
Energy: 1.2638854150162737
Energy: 1.2844899885121837
Energy: 1.3743269320323435
Energy: 1.2844899885121837
Energy: 1.2187159608647822
Energy: 1.2061764874126208
Energy: 1.2187555674014052
Energy: 1.2061764874134717
Energy: 1.2187159608656326
Energy: 1.2061764874134717
Energy: 1.2068310332898249
Energy: 1.1942163587149273
Energy: 1.2191051500223502
Energy: 1.1942163587149273
Energy: 1.2068310332898249
Energy: 1.1942163587149273
Energy: 1.228904507892691
Energy: 1.371500473071906
Energy: 1.2273165210865253
Energy: 1.2071645104381736
Energy: 1.228904507892691
Energy: 1.371500473071906
Energy: 1.1938764019406078
Energy: 1.2906752128851142
Energy: 1.2070497233332325
Energy: 1.2906752128851142
Energy: 1.1938764019406078
Energy: 1.2906752128851142
Energy: 1.207747674768431
Energy: 1.384513266938539
Energy: 1.1945791312689182
Energy: 1.384513266938539
Energy: 1.207747674768431
Energy: 1.384513266938539
Energy: 1.2172549467695675
Energy: 1.4257258066898524
Energy: 1.1938184584433773
Energy: 1.4257258066898524
Energy: 1.2172549467695675
Energy: 1.4257258066898524
Energy: 1.2061366017722066
Energy: 1.4279708146565082
Energy: 1.2085953982602446
Energy: 1.412015099948246
Energy: 1.2061366017722066
Energy: 1.4279708146565082
Energy: 1.1937019417763224
Energy: 1.3831638954973016
Energy: 1.2072252444864
Energy: 1.3831638954964507
Energy: 1.193701941775472
Energy: 1.3831638954973016
Energy: 1.19306883019417
Energy: 1.325484542326601
Energy: 1.1949017627220089
Energy: 1.325484542326601
Energy: 1.19306883019417
Energy: 1.3254845423257504
Energy: 1.2476011590534895
Energy: 1.3690263162287575
Energy: 1.2756417446491044
Energy: 1.3690263162287575
Energy: 1.2476011590534895
Energy: 1.3690263162296081
Energy: 1.2187200187748957
Energy: 1.1952524529528552
Energy: 1.1944602115042782
Energy: 1.1952524529528552
Energy: 1.218720018774045
Energy: 1.1952524529528552
Energy: 1.2191267229178693
Energy: 1.1944112613317266
Energy: 1.2125837418961438
Energy: 1.1944112613368303
Energy: 1.2191267229178693
Energy: 1.194411261332577
Energy: 1.2253097394487231
Energy: 1.2293612444829172
Energy: 1.2193954601961126
Energy: 1.2080209341324686
Energy: 1.2253097394487231
Energy: 1.2136845513939973
Energy: 1.2023763169426296
Energy: 1.2946069207323427
Energy: 1.2184683684376227
Energy: 1.2946069207323427
Energy: 1.2023763169426296
Energy: 1.2946069207323427
Energy: 1.25072154272025
Energy: 1.208919029907433
Energy: 1.2065455892881989
Energy: 1.2089190299082837
Energy: 1.2507215427211007
Energy: 1.2089190299082837
Energy: 1.1936944419624111
Energy: 1.2066883584384946
Energy: 1.1934277882586901
Energy: 1.2066883584376442
Energy: 1.1936944419624111
Energy: 1.2066883584376442
Energy: 1.2080881804399792
Energy: 1.2063253059338175
Energy: 1.1932049559925881
Energy: 1.2063253059338175
Energy: 1.2080881804399792
Energy: 1.2063253059338175
Energy: 1.2073701227314335
Energy: 1.3776851440607618
Energy: 1.2062505118284101
Energy: 1.3776851440607618
Energy: 1.2073701227314335
Energy: 1.3776851440607618
Energy: 1.1934864767282547
Energy: 1.2598117749704936
Energy: 1.1930770014816272
Energy: 1.259811774971344
Energy: 1.1934864767282547
Energy: 1.2598117749704936
Energy: 1.2216840975949637
Energy: 1.222682711959852
Energy: 1.206689276207401
Energy: 1.2226827119590014
Energy: 1.2216840975949637
Energy: 1.222682711959852
Energy: 1.1944253072192026
Energy: 1.3779108052708167
Energy: 1.1930885213279154
Energy: 1.3779108052708167
Energy: 1.1944253072192026
Energy: 1.3779108052708167
Energy: 1.2064258157577235
Energy: 1.3766382416413911
Energy: 1.1937296069199939
Energy: 1.3766382416413911
Energy: 1.2064258157577235
Energy: 1.3766382416413911
Energy: 1.2289080102802845
Energy: 1.3097676496188273
Energy: 1.2601781452738479
Energy: 1.2068372132014822
Energy: 1.2289080102811352
Energy: 1.3097676496179762
Energy: 1.1937754674547036
Energy: 1.2868730340407961
Energy: 1.2039121507882031
Energy: 1.2868730340407961
Energy: 1.1937754674547036
Energy: 1.2868730340407961
Energy: 1.2125647464966636
Energy: 1.1949454012194176
Energy: 1.2508418890591744
Energy: 1.1949454012194176
Energy: 1.2125647464966636
Energy: 1.1949454012194176
Energy: 1.2190689162304205
Energy: 1.1939014623916335
Energy: 1.1934263715049924
Energy: 1.1939014623916335
Energy: 1.2190689162304205
Energy: 1.1939014623916335
Energy: 1.2186596474262565
Energy: 1.1935738251770631
Energy: 1.195631298525537
Energy: 1.1935738251762127
Energy: 1.218659647425406
Energy: 1.1935738251770631
Energy: 1.2648109502515017
Energy: 1.2148539303155865
Energy: 1.2993577266454392
Energy: 1.214853930316437
Energy: 1.2648109502523521
Energy: 1.2148539303155865
Energy: 1.1931431060145674
Energy: 1.1980435117889194
Energy: 1.1954959379877355
Energy: 1.1980435117880688
Energy: 1.1931431060145674
Energy: 1.1980435117880688
Energy: 1.193501990740066
Energy: 1.2225840314710836
Energy: 1.2062410691371703
Energy: 1.2225840314710836
Energy: 1.193501990740066
Energy: 1.222584031470233
Energy: 1.214444787294093
Energy: 1.3770501845337069
Energy: 1.194525059736724
Energy: 1.3770501845345573
Energy: 1.214444787294093
Energy: 1.3770501845345573
Energy: 1.193648663188616
Energy: 1.2574275529645313
Energy: 1.2065640952089287
Energy: 1.2574275529645313
Energy: 1.193648663188616
Energy: 1.2574275529645313

minimum gb energy = 1.19306883019417 eV
minimum distance =  2.26262647749175 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014950600424613441
Energy: 0.015606369600189275
Energy: 1.3319291502253545
Energy: 0.015606369599482504
Energy: 0.014950600424613441
Energy: 0.015606369599482504
Energy: 0.015169684367551532
Energy: 0.6811033143786547
Energy: 0.015169684367551532
Energy: 0.6811033143786547
Energy: 0.015169684367551532
Energy: 0.6811033143786547
Energy: 1.4752275724467487
Energy: 0.015606369598775727
Energy: 0.014950600424613441
Energy: 0.015606369599482504
Energy: 1.4752275724467487
Energy: 0.015606369598775727
Energy: 0.015169684367551532
Energy: 0.6811033143786547
Energy: 0.015169684367551532
Energy: 0.6811033143786547
Energy: 0.015169684367551532
Energy: 0.6811033143793613

minimum gb energy = 0.014950600424613441 eV
minimum distance =  2.45802806203395 Angstroms
sigma value = 1