Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855312585830688
cohesive_energy=4.013297914458148
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.01243420361130461
Energy: 0.01264977702452513
Energy: 2.6517879827085657
Energy: 0.012649777025530502
Energy: 0.012649777025530502
Energy: 0.012666695263550182
Energy: 0.41252878366769663
Energy: 0.012666695264527626
Energy: 2.6517879827105206
Energy: 0.41252878366769663
Energy: 0.4125045289662469
Energy: 0.41252878366769663
Energy: 0.012649777025530502
Energy: 0.012666695264527626
Energy: 0.41252878366769663
Energy: 0.012666695264527626

minimum gb energy = 0.01243420361130461 eV
minimum distance =  2.47042971643919 Angstroms
sigma value = 1


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

Energy: 1.4086392553121991
Energy: 1.225247719280061
Energy: 2.259844377408649
Energy: 1.2252477192837188
Energy: 1.442448434057291
Energy: 0.9010239072187952
Energy: 1.0467463884628994
Energy: 0.9010239072224532
Energy: 1.6075064889049453
Energy: 0.9106223119835195
Energy: 0.9040523495743882
Energy: 0.9106223119859582
Energy: 1.3248304685921592
Energy: 0.9028904542894298
Energy: 0.9830227383460682
Energy: 0.9028904542918684
Energy: 1.3263110066492187
Energy: 0.903003424199956
Energy: 1.293717924890771
Energy: 0.9030034241962981
Energy: 1.4403679820675537
Energy: 0.8962569893347955
Energy: 0.8959895688635843
Energy: 0.8962569893372341
Energy: 1.1070086755207453
Energy: 1.158467389750066
Energy: 0.8958945019710791
Energy: 1.1584673897537237
Energy: 0.9027414153935777
Energy: 0.8951617540141031
Energy: 1.2849678999450616
Energy: 0.8951617540067873
Energy: 1.106533069631207
Energy: 1.0463665148535537
Energy: 1.276266824350294
Energy: 1.0463665148535537
Energy: 1.4630068603802127
Energy: 1.1545330271574603
Energy: 1.1329535798231132
Energy: 1.1545330271598988
Energy: 0.8990090185269342
Energy: 1.052143184910673
Energy: 1.2761942224522176
Energy: 1.0521431849094536
Energy: 0.8989869178984135
Energy: 0.8989259317285069
Energy: 1.804117631323766
Energy: 0.8989259317272875
Energy: 1.0880937572631142
Energy: 1.052242914353896
Energy: 1.329711235337563
Energy: 1.0522429143551155
Energy: 0.9099215169752356
Energy: 1.1566251946034294
Energy: 1.3688886999858942
Energy: 1.1566251946009907
Energy: 0.9124472898416629
Energy: 0.895374162249329
Energy: 1.4368585044557531
Energy: 0.8953741622481097
Energy: 0.9669221888175265
Energy: 0.8954026508431028
Energy: 1.4400794305653128
Energy: 0.8954026508418834
Energy: 0.9100895979033005
Energy: 1.1566217749782128
Energy: 1.369753498882168
Energy: 1.1566217749818708
Energy: 1.0889158908962528
Energy: 1.0518056361085066
Energy: 1.3064794926964889
Energy: 1.051805636109726
Energy: 0.8985663192702319
Energy: 0.8988424421843011
Energy: 1.8296198238406922
Energy: 0.8988424421855205
Energy: 0.8991465247736509
Energy: 1.0518694608377746
Energy: 1.109037925747352
Energy: 1.0518694608414325
Energy: 1.4615716168290007
Energy: 1.1539633548924981
Energy: 1.1251918300809045
Energy: 1.153963354896156
Energy: 1.1064839555527106
Energy: 1.0409161249088275
Energy: 1.2761867843639834
Energy: 1.0409161249100467
Energy: 1.127401450113269
Energy: 0.8953036184914439
Energy: 1.1002140169306278
Energy: 0.8953036184853475
Energy: 1.2717601947147712
Energy: 1.1570923800102022
Energy: 0.8960660829099639
Energy: 1.1570923800150794
Energy: 1.4419788741682225
Energy: 0.8962451777571325
Energy: 0.8960269937702743
Energy: 0.8962451777583519
Energy: 1.368844164067227
Energy: 0.9031267810190529
Energy: 1.28930282426213
Energy: 0.9031267810190529
Energy: 1.297713538686847
Energy: 0.9031003333358353
Energy: 0.9105717418420334
Energy: 0.9031003333273002
Energy: 1.6074542191780525
Energy: 0.9105277584012629
Energy: 0.9302839277404297
Energy: 0.9105277584000435
Energy: 1.4433710702354217
Energy: 0.9011100416009336
Energy: 1.0468006848824365
Energy: 0.9011100416069747
Energy: 1.4024529316717438
Energy: 1.054319318121853
Energy: 0.9109193853020718
Energy: 1.054319318121853
Energy: 1.443162252724413
Energy: 0.9012053966015686
Energy: 0.9429836206464755
Energy: 0.9012053966015686
Energy: 1.4403251693372034
Energy: 0.8982959210778647
Energy: 0.9040450007846106
Energy: 0.8982959210742623
Energy: 1.3268008512135125
Energy: 1.0418849247252795
Energy: 0.9829221827607435
Energy: 1.0418849247228965

minimum gb energy = 0.8951617540067873 eV
minimum distance =  2.26603741816519 Angstroms
sigma value = 1


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

Energy: 1.5184565544521933
Energy: 1.2411483809014008
Energy: 2.3135066203915056
Energy: 1.2411483809000103
Energy: 1.3479145897594975
Energy: 1.0810789463341985
Energy: 1.1244612469329658
Energy: 1.0810789463341985
Energy: 1.3558021168245291
Energy: 0.9479066504645394
Energy: 0.956079735379025
Energy: 0.9479066504645394
Energy: 0.9323127043897089
Energy: 1.082881755907813
Energy: 1.124382495718428
Energy: 1.0828817559064228
Energy: 0.9322312500636573
Energy: 1.082351650773355
Energy: 1.3918329341261129
Energy: 1.082351650773355
Energy: 1.3559532351847112
Energy: 0.9308392782545796
Energy: 0.9311697406785586
Energy: 0.9308392782545796
Energy: 1.0136278795024165
Energy: 1.0042969451350352
Energy: 0.9314926449531424
Energy: 1.0042969451364252
Energy: 0.9308392356870613
Energy: 0.9310140074057245
Energy: 1.3848950222272052
Energy: 0.9310140074057245
Energy: 1.0136857678895568
Energy: 1.0809685445962616
Energy: 1.3560164560698404
Energy: 1.0809685445962616
Energy: 1.1256956224654886
Energy: 0.9326953615117515
Energy: 0.9323792499352213
Energy: 0.9326953615131417
Energy: 1.0171499518879217
Energy: 1.0830184709382387
Energy: 1.3567760674937608
Energy: 1.0830184709382387
Energy: 1.0174576472247427
Energy: 0.930828056510859
Energy: 1.734659438011928
Energy: 0.9308280565094689
Energy: 1.1246445924327637
Energy: 1.080882268771635
Energy: 1.41385348490697
Energy: 1.080882268771635
Energy: 1.124644592425813
Energy: 1.080787501474509
Energy: 1.4139640560062534
Energy: 1.080787501473119
Energy: 1.0174627048034008
Energy: 0.9308153949288519
Energy: 1.734879622429124
Energy: 0.9308153949288519
Energy: 1.0171676868121988
Energy: 1.0830215862571677
Energy: 1.3567990418477305
Energy: 1.0830215862557775
Energy: 1.1256956224668786
Energy: 0.9327160323342709
Energy: 0.9324188526270002
Energy: 0.9327160323342709
Energy: 1.0137015928761206
Energy: 1.0809686393960065
Energy: 1.3560369674193888
Energy: 1.0809686393960065
Energy: 0.9308416856611905
Energy: 0.9310132358720673
Energy: 1.384895022238327
Energy: 0.9310132358720673
Energy: 1.0137699148954262
Energy: 1.0043905376248294
Energy: 0.9312942718955544
Energy: 1.0043905376248294
Energy: 1.35606992955877
Energy: 0.9308428220072238
Energy: 0.931255146340089
Energy: 0.9308428220072238
Energy: 0.9322345507687786
Energy: 1.082381391006148
Energy: 1.3918329341261129
Energy: 1.0823813910033675
Energy: 0.9323395053405402
Energy: 1.082776933779996
Energy: 1.1243824957267694
Energy: 1.082776933779996
Energy: 1.35586305387717
Energy: 0.9479115265826237
Energy: 0.9558802455714895
Energy: 0.947911526585404
Energy: 1.3479602713895802
Energy: 1.0810959381990364
Energy: 1.1244612469246245
Energy: 1.0810959381990364
Energy: 1.5184565544521933
Energy: 1.2411483809027908
Energy: 2.3135066203887247
Energy: 1.2411483808986203
Energy: 1.3479145897594975
Energy: 1.0810789463355888
Energy: 1.1244612469329658
Energy: 1.0810789463341985
Energy: 1.3558021168273096
Energy: 0.9479066504645394
Energy: 0.9560797353776349
Energy: 0.9479066504659295
Energy: 0.9323127043883188
Energy: 1.0828817559064228
Energy: 1.124382495718428
Energy: 1.082881755907813

minimum gb energy = 0.9308153949288519 eV
minimum distance =  2.27911552739511 Angstroms
sigma value = 25


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

Energy: 1.343423887318206
Energy: 1.1108482267492523
Energy: 2.2948440452417525
Energy: 1.1108482267492523
Energy: 1.453673998114252
Energy: 0.9936105031303417
Energy: 1.1939589812589813
Energy: 0.9936105031319575
Energy: 1.442107821530999
Energy: 1.007027480860046
Energy: 1.033943188697325
Energy: 1.0070274808584299
Energy: 1.2966057644772062
Energy: 0.9923244438219876
Energy: 1.1145519333287643
Energy: 0.9923244438219876
Energy: 1.2654138061280065
Energy: 0.9922972700916786
Energy: 1.2831535628313258
Energy: 0.9922972700900624
Energy: 1.4420958508412427
Energy: 0.9939003936427632
Energy: 0.9935984478353589
Energy: 0.9939003936427632
Energy: 1.0050682903516561
Energy: 0.9925619263906003
Energy: 0.9935999366788587
Energy: 0.9925619263906003
Energy: 1.0074011469639095
Energy: 1.0045928636761738
Energy: 1.468464492922715
Energy: 1.0045928636761738
Energy: 1.0941914092619343
Energy: 1.2263623264949082
Energy: 1.2700660733522988
Energy: 1.2263623264949082
Energy: 1.0804153945758934
Energy: 1.001891575136443
Energy: 1.329814405525614
Energy: 1.001891575136443
Energy: 1.0801730972473014
Energy: 1.0772819691280515
Energy: 1.450809866770547
Energy: 1.0772819691280515
Energy: 1.101548386946251
Energy: 1.004897981508207
Energy: 1.4435269151041414
Energy: 1.0048979815065908
Energy: 1.0801602827733199
Energy: 1.0015929270022594
Energy: 1.3161863690179498
Energy: 1.0015929270006434
Energy: 1.1358041263094394
Energy: 0.9924048779823232
Energy: 1.2734096811235909
Energy: 0.9924048779823232
Energy: 0.9970241616514514
Energy: 1.005171955794054
Energy: 1.7052452557402182
Energy: 1.00517195579567
Energy: 1.0048458734133459
Energy: 0.9933531523852432
Energy: 0.9936965321826512
Energy: 0.9933531523868593
Energy: 1.7153207008718263
Energy: 0.9941117793234491
Energy: 0.9933284208987773
Energy: 0.9941117793250653
Energy: 1.2681409220946385
Energy: 0.992574963703824
Energy: 1.2976901454513627
Energy: 0.992574963703824
Energy: 1.3243348257026695
Energy: 0.992701910734279
Energy: 1.1147275503175553
Energy: 0.9927019107358952
Energy: 1.2844664413992735
Energy: 0.9937811019221569
Energy: 1.0072378736154515
Energy: 0.9937811019221569
Energy: 1.4535286259404894
Energy: 0.9941168310878976
Energy: 1.0597708650582398
Energy: 0.9941168310895137
Energy: 1.3451568618045215
Energy: 1.0024380414925225
Energy: 1.0347338948995202
Energy: 1.0024380414909062
Energy: 1.453290507101827
Energy: 1.1437890389485124
Energy: 1.1938546026918992
Energy: 1.1437890389485124
Energy: 1.4447704403957689
Energy: 1.0331738669435695
Energy: 1.033292297861991
Energy: 1.0331738669468016
Energy: 1.265427822168962
Energy: 0.9922837759328872
Energy: 1.03398227268783
Energy: 0.992283775929655

minimum gb energy = 0.992283775929655 eV
minimum distance =  2.32052207805974 Angstroms
sigma value = 9


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

Energy: 1.0265282407962393
Energy: 1.0258324424492753
Energy: 2.3768072338499477
Energy: 1.0258324424492753
Energy: 1.0251461261402728
Energy: 1.03718752273417
Energy: 1.0377270419998834
Energy: 1.0371875227337755
Energy: 1.1441892292460119
Energy: 1.0757355814199532
Energy: 1.1441235501646523
Energy: 1.0757355814203258
Energy: 1.0372515662239012
Energy: 1.037465149955804
Energy: 1.1491824847145617
Energy: 1.0374651499560013
Energy: 1.037272207395549
Energy: 1.0374589352601693
Energy: 1.1443005686328025
Energy: 1.0374589352607386
Energy: 1.6934148587412567
Energy: 1.0373665552689766
Energy: 1.0372727490263616
Energy: 1.037366555268582
Energy: 1.1439486101330827
Energy: 1.0373045455233207
Energy: 1.037395442104077
Energy: 1.0373045455238905
Energy: 1.144287366075414
Energy: 1.1438746703730807
Energy: 1.5373061127697702
Energy: 1.1438746703732778
Energy: 1.309511695879936
Energy: 1.0371916426487606
Energy: 1.0246535942847974
Energy: 1.0371916426497245
Energy: 1.3094707435145783
Energy: 1.02506487563759
Energy: 1.0248626226732986
Energy: 1.0250648756379845
Energy: 1.1492094756077014
Energy: 1.1369774884335635
Energy: 1.5391688249378097
Energy: 1.136977488433761
Energy: 1.1442930999515555
Energy: 1.0251700432676678
Energy: 1.143782470068856
Energy: 1.0251700432665067
Energy: 1.3089668552636027
Energy: 1.03818379939733
Energy: 1.0379186664419944
Energy: 1.038183799396366
Energy: 1.1438128024473968
Energy: 1.120137402811146
Energy: 1.1438970506559532
Energy: 1.1201374028109488
Energy: 1.0386295594061254
Energy: 1.0381807069542766
Energy: 1.3089668552628138
Energy: 1.0381807069542766
Energy: 1.1437737369663996
Energy: 1.0246053629316285
Energy: 1.14427561918238
Energy: 1.0246053629316285
Energy: 1.5390856685907819
Energy: 1.137060464028557
Energy: 1.1492023284534392
Energy: 1.137060464029324
Energy: 1.0248517910922326
Energy: 1.0251019272140043
Energy: 1.30947074351322
Energy: 1.0251019272151654
Energy: 1.024639228289428
Energy: 1.0371799809558548
Energy: 1.3095116958749191
Energy: 1.0371799809568187
Energy: 1.537427359907866
Energy: 1.1438668181707308
Energy: 1.1443637296334155
Energy: 1.1438668181716949
Energy: 1.0373742923500937
Energy: 1.0380271025850605
Energy: 1.1437921044506738
Energy: 1.0380271025848853

minimum gb energy = 1.0246053629316285 eV
minimum distance =  2.29354073375438 Angstroms
sigma value = 25


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

Energy: 1.1287791152707802
Energy: 1.3758346557528875
Energy: 2.2973539517748827
Energy: 1.3758346557543235
Energy: 1.500932745351738
Energy: 1.210216319350505
Energy: 1.1582021584895756
Energy: 1.210216319350505
Energy: 1.3125024631971467
Energy: 1.1610072658566
Energy: 1.1576274990844626
Energy: 1.1610072658573043
Energy: 1.1476767972530104
Energy: 1.1288341635929684
Energy: 1.1600097052212766
Energy: 1.128834163593673
Energy: 1.2525922339846294
Energy: 1.203856641266146
Energy: 1.5102652542802375
Energy: 1.203856641266146
Energy: 1.5770418064430847
Energy: 1.1047112981129843
Energy: 1.1044185490116936
Energy: 1.10471129811228
Energy: 1.204664706581241
Energy: 1.1283041166711187
Energy: 1.1760382992215557
Energy: 1.1283041166704144
Energy: 1.2081579483722384
Energy: 1.213188722369861
Energy: 1.529771800152556
Energy: 1.2131887223681812
Energy: 1.2044486063014197
Energy: 1.1046422260488045
Energy: 1.1043720558107024
Energy: 1.1046422260483437
Energy: 1.3125604446701027
Energy: 1.1046356139488822
Energy: 1.1042837684259905
Energy: 1.104635613949099
Energy: 1.1294668294949066
Energy: 1.128817174410767
Energy: 1.4484324517065086
Energy: 1.1288171744122029
Energy: 1.128245382330926
Energy: 1.104207532467268
Energy: 1.1603047529736907
Energy: 1.1042075324670515
Energy: 1.3883859038054223
Energy: 1.1602800362986752
Energy: 1.1608610008939264
Energy: 1.1602800362996504
Energy: 1.5036656792101597
Energy: 1.10423132500472
Energy: 1.332170626278269
Energy: 1.1042313250090008
Energy: 1.5064848379785047
Energy: 1.336989310816916
Energy: 1.3308585857214126
Energy: 1.3369893108145317
Energy: 1.5013634453049107
Energy: 1.129127222592013
Energy: 1.160266687078078
Energy: 1.1291272225922566
Energy: 1.1290534821787503
Energy: 1.1055375991638594
Energy: 1.1617094704701358
Energy: 1.1055375991624234

minimum gb energy = 1.1042075324670515 eV
minimum distance =  2.28415133907103 Angstroms
sigma value = 17


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

Energy: 1.4423980456636734
Energy: 1.3259400747631531
Energy: 2.237205119099803
Energy: 1.3259400747631531
Energy: 1.367614985953382
Energy: 1.21801092705407
Energy: 1.2093734947273742
Energy: 1.2180109270527197
Energy: 1.160337464948121
Energy: 1.1479154100059012
Energy: 1.1707080320843237
Energy: 1.1479154100072517
Energy: 1.1349665146034624
Energy: 1.134424456836656
Energy: 1.1826286347482118
Energy: 1.1344244568380062
Energy: 1.1652815116562294
Energy: 1.22301712782146
Energy: 1.4053733872128558
Energy: 1.2230171278255109
Energy: 1.516332916025807
Energy: 1.30670667714926
Energy: 1.1477497894334243
Energy: 1.3067066771479097
Energy: 1.3106449794576527
Energy: 1.13348285494141
Energy: 1.4071126313637494
Energy: 1.1334828549427602
Energy: 1.1926425018169573
Energy: 1.1338526308904073
Energy: 1.4527544615980044
Energy: 1.1338526308850059
Energy: 1.2128878920621815
Energy: 1.1444964173444907
Energy: 1.1418066733112977
Energy: 1.1444964173458412
Energy: 1.4395792904117481
Energy: 1.2243236464769265
Energy: 1.1428728391483123
Energy: 1.2243236464769265
Energy: 1.1405093499909693
Energy: 1.1382832634131863
Energy: 1.4167236332061612
Energy: 1.138283263411836
Energy: 1.1377895083466687
Energy: 1.1425604343120008
Energy: 1.2734205169592177
Energy: 1.1425604343065996
Energy: 1.4398175483269247
Energy: 1.1952611175422696
Energy: 1.2292008522953293
Energy: 1.1952611175409193
Energy: 1.1376886000711104
Energy: 1.138238230882606
Energy: 1.2242561636851408
Energy: 1.1382382308812558
Energy: 1.1378855732195134
Energy: 1.2292391359872268
Energy: 1.4711790622584107
Energy: 1.2292391359858765
Energy: 1.3908210049659864
Energy: 1.142141457600438
Energy: 1.1408082151153909
Energy: 1.1421414576017883
Energy: 1.1918301618018665
Energy: 1.300264919738794
Energy: 1.1425378199656127
Energy: 1.300264919738794
Energy: 1.1802662627798526
Energy: 1.1980939496963778
Energy: 1.387114427442889
Energy: 1.198093949693677
Energy: 1.3113825597813622
Energy: 1.3032764711120166
Energy: 1.2700176032885973
Energy: 1.3032764711106664
Energy: 1.532171585114146
Energy: 1.2248124459270062
Energy: 1.3896523895511588
Energy: 1.2248124459229555
Energy: 1.1443520455576057
Energy: 1.1600237775156426
Energy: 1.4099423448127617
Energy: 1.160023777514292
Energy: 1.1457296511648607
Energy: 1.1421107349522306
Energy: 1.1594401653829247
Energy: 1.1421107349535808
Energy: 1.391928691958172
Energy: 1.1597315515203035
Energy: 1.1593102426536765
Energy: 1.1597315515216537
Energy: 1.3955153256569035
Energy: 1.1338908477831717
Energy: 1.4055851665146226
Energy: 1.133890847787192
Energy: 1.4147521350879149
Energy: 1.1338948456996785
Energy: 1.401651875876791
Energy: 1.1338948456996785
Energy: 1.3953809579421437
Energy: 1.1601901564448032
Energy: 1.159077705852784
Energy: 1.1601901564421027
Energy: 1.1456745260575392
Energy: 1.14248156249008
Energy: 1.1469344536376915
Energy: 1.1424815624914302
Energy: 1.144557769711616
Energy: 1.1442366642092774
Energy: 1.3965503168970432
Energy: 1.1442366642065767
Energy: 1.1595210518316859
Energy: 1.224476451885645
Energy: 1.3923366220676157
Energy: 1.2244764518869953
Energy: 1.2683985008671597
Energy: 1.306830280226587
Energy: 1.14662068257007
Energy: 1.306830280230638

minimum gb energy = 1.13348285494141 eV
minimum distance =  2.26200106778329 Angstroms
sigma value = 53


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

Energy: 1.0527237235594722
Energy: 1.0713364912080658
Energy: 2.3221685542875914
Energy: 1.0713364912071122
Energy: 1.0527630398943326
Energy: 1.0999001561888522
Energy: 1.0524652019532321
Energy: 1.0999001561891704
Energy: 1.5475073967837978
Energy: 1.1610266706899826
Energy: 1.1347163406609684
Energy: 1.1610266706896646
Energy: 1.1346934666080255
Energy: 1.1610909317867868
Energy: 1.5475473889066589
Energy: 1.1610909317874227
Energy: 1.052440076766922
Energy: 1.0998791766542293
Energy: 1.053343525447086
Energy: 1.099879176653911
Energy: 2.3221685542851187
Energy: 1.071336491208384
Energy: 1.05272372355979
Energy: 1.071336491208384
Energy: 1.0524652019544687
Energy: 1.099900156189806
Energy: 1.052763039894015
Energy: 1.0999001561891704
Energy: 1.134716340660333
Energy: 1.1610266706903005
Energy: 1.5475073967837978
Energy: 1.161026670690583
Energy: 1.5475473889063407
Energy: 1.1610909317867868
Energy: 1.1346934666077075
Energy: 1.1610909317867868
Energy: 1.053343525447404
Energy: 1.099879176654865
Energy: 1.0524400767681585
Energy: 1.0998791766542293
Energy: 1.0527237235594722
Energy: 1.0713364912074301
Energy: 2.322168554299708
Energy: 1.071336491207748
Energy: 1.052763039894015
Energy: 1.0999001561891704
Energy: 1.052465201953868
Energy: 1.0999001561891704
Energy: 1.5475073967843984
Energy: 1.1610266706896646
Energy: 1.1347163406609684
Energy: 1.1610266706899826

minimum gb energy = 1.052440076766922 eV
minimum distance =  2.26641482515396 Angstroms
sigma value = 9


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

Energy: 1.2936776989777636
Energy: 1.3072762222853944
Energy: 2.1976539751081927
Energy: 1.3072762222876955
Energy: 1.5196522289657493
Energy: 1.2718407742166071
Energy: 1.2541157296302787
Energy: 1.271840774214306
Energy: 1.2140763086452981
Energy: 1.1796009820047886
Energy: 1.1788848169456145
Energy: 1.1796009820024875
Energy: 1.2186418215712107
Energy: 1.2535129056830911
Energy: 1.250849219180329
Energy: 1.2535129056773382
Energy: 1.3085172629985287
Energy: 1.1747983174231131
Energy: 1.4983851491157871
Energy: 1.1747983174242638
Energy: 1.485985168893432
Energy: 1.2569890703761422
Energy: 1.2795670786824127
Energy: 1.2569890703761422
Energy: 1.2350644024411008
Energy: 1.2718966408826997
Energy: 1.555114572524991
Energy: 1.2718966408769465
Energy: 1.1749997264167817
Energy: 1.230619694143655
Energy: 1.2534296476254616
Energy: 1.2306196941448053
Energy: 1.2356753730884773
Energy: 1.2390238707455057
Energy: 1.2327049650144972
Energy: 1.2390238707466563
Energy: 1.3004162264133825
Energy: 1.1791976970786364
Energy: 1.3091470654705653
Energy: 1.179197697079787
Energy: 1.1914676030926876
Energy: 1.254367155385288
Energy: 1.543100186588553
Energy: 1.2543671553864386
Energy: 1.601660974193054
Energy: 1.2992070213264961
Energy: 1.2256556871053181
Energy: 1.2992070213299478
Energy: 1.2498976679706142
Energy: 1.1858627637412
Energy: 1.188565099963983
Energy: 1.1858627637446515
Energy: 1.2613896313129078
Energy: 1.2865618879044807
Energy: 1.3312556242063196
Energy: 1.2865618879056313
Energy: 1.2925999062064277
Energy: 1.2790796839916458
Energy: 1.2283526259467177
Energy: 1.2790796839904952
Energy: 1.485396480728539
Energy: 1.1871151268745608
Energy: 1.1913095572947983
Energy: 1.1871151268780125
Energy: 1.2781082323852455
Energy: 1.2588171109678887
Energy: 1.6306978726060575
Energy: 1.2588171109678887
Energy: 1.194465347696277
Energy: 1.2503714987387342
Energy: 1.306268318744632
Energy: 1.2503714987387342
Energy: 1.53511469079606
Energy: 1.27449931235859
Energy: 1.229662619890135
Energy: 1.2744993123597406
Energy: 1.2185670962163233
Energy: 1.2712464967507273
Energy: 1.2287711830147585
Energy: 1.2712464967426733
Energy: 1.177417865282597
Energy: 1.1967598003921738
Energy: 1.4684367061059902
Energy: 1.1967598003864208
Energy: 1.4367801136681277
Energy: 1.2820524105188558
Energy: 1.2777985360596331
Energy: 1.28205241052806
Energy: 1.3617922294798648
Energy: 1.254948509625511
Energy: 1.2784085176574305
Energy: 1.2549485096220594
Energy: 1.2697382534577797
Energy: 1.2139693442810384
Energy: 1.5202454197256323
Energy: 1.2139693442764363
Energy: 1.228594755550099
Energy: 1.2685968743353184
Energy: 1.2016705796903235
Energy: 1.2685968743330172
Energy: 1.372890338399583
Energy: 1.251500464133034
Energy: 1.2035479787789904
Energy: 1.2515004641341847
Energy: 1.4948711448298242
Energy: 1.2672074279581487
Energy: 1.444008819409482
Energy: 1.2672074279616004
Energy: 1.2929723751325561
Energy: 1.2672950613022758
Energy: 1.445174749587557
Energy: 1.2672950613034264
Energy: 1.487228494055297
Energy: 1.2100174950894937
Energy: 1.2178032073616407
Energy: 1.2100174950975475
Energy: 1.2242533847033858
Energy: 1.3118866967407168
Energy: 1.2031812045279453
Energy: 1.3118866967407168
Energy: 1.2140938317823229
Energy: 1.254901774183708
Energy: 1.5146399678690763
Energy: 1.2549017741848587
Energy: 1.3618660794722013
Energy: 1.263075182524667
Energy: 1.2803381223205872
Energy: 1.263075182520065
Energy: 1.5632665592924455
Energy: 1.264653261553219
Energy: 1.2841538195380238
Energy: 1.2646532615520685
Energy: 1.2232521226650892
Energy: 1.193328093211524
Energy: 1.4704503844953518
Energy: 1.193328093209223
Energy: 1.194302433609304
Energy: 1.2716495585658714
Energy: 1.2286587276962078
Energy: 1.2716495585647207

minimum gb energy = 1.1747983174231131 eV
minimum distance =  2.23397679006819 Angstroms
sigma value = 73


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

Energy: 1.404854088926708
Energy: 1.2920652989481125
Energy: 2.23506351269514
Energy: 1.292065298949772
Energy: 1.3685792432764115
Energy: 1.280577612419616
Energy: 1.3066694325382293
Energy: 1.2805776124177906
Energy: 1.2476784249803365
Energy: 1.2323132773322272
Energy: 1.1936388974672851
Energy: 1.232313277332061
Energy: 1.2187966208915408
Energy: 1.1982211704952204
Energy: 1.3090429330346338
Energy: 1.1982211704941212
Energy: 1.3714031247964686
Energy: 1.19757228526162
Energy: 1.3367030107988953
Energy: 1.1975722852597945
Energy: 1.666085471032808
Energy: 1.283529678785581
Energy: 1.2032590973083348
Energy: 1.283529678786867
Energy: 1.2515525980398374
Energy: 1.27560764591982
Energy: 1.4391909551946058
Energy: 1.275607645917642
Energy: 1.1999612638044652
Energy: 1.1982248818255719
Energy: 1.2782151376714515
Energy: 1.198224881824846
Energy: 1.4262847118475779
Energy: 1.2330263133390207
Energy: 1.3334530243148313
Energy: 1.2330263133424848
Energy: 1.2421549715182978
Energy: 1.2330575451739039
Energy: 1.3221578033878647
Energy: 1.2330575451737171
Energy: 1.1979836290166321
Energy: 1.1979378159544949
Energy: 1.5723047842748663
Energy: 1.197937815957959
Energy: 1.425444842451834
Energy: 1.286279897665167
Energy: 1.3351358839452294
Energy: 1.2862798976658933
Energy: 1.3705041843515955
Energy: 1.2821351026930219
Energy: 1.2004630708702544
Energy: 1.282135102693748
Energy: 1.2474959201552267
Energy: 1.3410757739782424
Energy: 1.6637748916499555
Energy: 1.3410757739745918
Energy: 1.2187068541749178
Energy: 1.2859694989861143
Energy: 1.2445395659921679
Energy: 1.2859694989866537
Energy: 1.3394662181821837
Energy: 1.2325928618449795
Energy: 1.2288502813029119
Energy: 1.2325928618449795
Energy: 1.3326960580662253
Energy: 1.285463969480754
Energy: 1.5875196702088012
Energy: 1.2854639694694485
Energy: 1.3327542310574396
Energy: 1.2919383546911354
Energy: 1.5237545934740238
Energy: 1.2919383546914878
Energy: 1.4868777518697978
Energy: 1.2331142393588266
Energy: 1.263007789559539
Energy: 1.2331142393568146
Energy: 1.2185575298516675
Energy: 1.335697963323204
Energy: 1.193765931200877
Energy: 1.335697963322478
Energy: 1.2474915575827714
Energy: 1.30777133857948
Energy: 1.5928237584682148
Energy: 1.307771338579646
Energy: 1.370538467332388
Energy: 1.2860763955775298
Energy: 1.200431238053451
Energy: 1.2860763955782557

minimum gb energy = 1.1936388974672851 eV
minimum distance =  2.23149855248805 Angstroms
sigma value = 7


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

Energy: 1.4951973238446303
Energy: 1.3073150705586045
Energy: 2.22755334554956
Energy: 1.3073150705586045
Energy: 1.4306219017258923
Energy: 1.3019551421371485
Energy: 1.2619263267941372
Energy: 1.3019551421371485
Energy: 1.298848344664963
Energy: 1.2285666240676794
Energy: 1.2290361227262798
Energy: 1.2285666240676794
Energy: 1.2542317076803298
Energy: 1.2004541057868643
Energy: 1.2298252789459139
Energy: 1.2004541057868643
Energy: 1.3204483004352405
Energy: 1.2282211800764906
Energy: 1.2012817435156449
Energy: 1.2282211800713274
Energy: 1.6714217117230294
Energy: 1.2002761334388692
Energy: 1.202795273731947
Energy: 1.2002761334362875
Energy: 1.2747843507261543
Energy: 1.3172713549496053
Energy: 1.49582527206507
Energy: 1.3172713549496053
Energy: 1.2028033046790882
Energy: 1.2002674545333747
Energy: 1.3164912764254841
Energy: 1.2002674545333747
Energy: 1.4167333321847786
Energy: 1.2286444947968964
Energy: 1.2630070862749827
Energy: 1.2286444947968964
Energy: 1.2296740014382492
Energy: 1.2004895293992885
Energy: 1.2548694300938414
Energy: 1.2004895293992885
Energy: 1.2301057160307016
Energy: 1.2294245969983282
Energy: 1.372100269915009
Energy: 1.2294245970008806
Energy: 1.6069739809418975
Energy: 1.2815001451297443
Energy: 1.3806265494782335
Energy: 1.281500145132326
Energy: 1.7241900380562225
Energy: 1.3233854969453887
Energy: 1.3812686352282106
Energy: 1.3233854969479701
Energy: 1.2317593806264746
Energy: 1.2298052623578102
Energy: 1.622860637400085
Energy: 1.2298052623565194
Energy: 1.2294498320538805
Energy: 1.2773675004845715
Energy: 1.2504812726933006
Energy: 1.2773675004845715
Energy: 1.5754091620005155
Energy: 1.4661314270347403
Energy: 1.2997165019283123
Energy: 1.4661314270347403
Energy: 1.2001940690343755
Energy: 1.2020286148402832
Energy: 1.3168212768329803
Energy: 1.2020286148389927
Energy: 1.2702232627587389
Energy: 1.3032776221961482
Energy: 1.5539822890704724
Energy: 1.3032776221961482
Energy: 1.6672338764669568
Energy: 1.2016402655094944
Energy: 1.2001722646620303
Energy: 1.2016402655133664
Energy: 1.316909081587947
Energy: 1.2292942004683234
Energy: 1.2004439902106807
Energy: 1.2292942004696144
Energy: 1.2971958466424252
Energy: 1.3474525785137865
Energy: 1.2929522858819928
Energy: 1.3474525785047506
Energy: 1.2502647177676458
Energy: 1.2295765018157965
Energy: 1.2320373037794683
Energy: 1.2295765018170874
Energy: 1.5123792847540307
Energy: 1.2910872510637417
Energy: 1.292732430751933
Energy: 1.2910872510598694
Energy: 1.3817866726831018
Energy: 1.310713368039016
Energy: 1.6074615462779929
Energy: 1.310713368039016
Energy: 1.3797480014861936
Energy: 1.2004882291952501
Energy: 1.323068961911845
Energy: 1.2004882291952501
Energy: 1.3753329950595516
Energy: 1.2287010246767607
Energy: 1.2316519110278854
Energy: 1.2287010246780514
Energy: 1.2514949692839392
Energy: 1.2000308025364044
Energy: 1.2299876799472784
Energy: 1.2000308025364044
Energy: 1.3167889471721894
Energy: 1.2283246127898435
Energy: 1.4195486924183445
Energy: 1.2283246127911343
Energy: 1.3172836041099036
Energy: 1.1998021379820636
Energy: 1.1997643292277467
Energy: 1.1998021379833543
Energy: 1.5008482474243576
Energy: 1.3014609783103148
Energy: 1.4957033162654323
Energy: 1.3014609783116056
Energy: 1.1997644928971851
Energy: 1.1997577827741754
Energy: 1.317283604108613
Energy: 1.1997577827741754

minimum gb energy = 1.1997577827741754 eV
minimum distance =  2.27893307552404 Angstroms
sigma value = 29


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

Energy: 1.138471937466317
Energy: 1.2912202052964663
Energy: 2.2120868881382947
Energy: 1.291220205296042
Energy: 1.5290615647588435
Energy: 1.214806092119539
Energy: 1.1886325082914861
Energy: 1.2148060921199884
Energy: 1.3905000934837939
Energy: 1.1685508971345602
Energy: 1.170325979291595
Energy: 1.1685508971345602
Energy: 1.563841802217033
Energy: 1.2914175970571407
Energy: 1.1671210868368052
Energy: 1.2914175970549424
Energy: 1.5866884886629764
Energy: 1.250605327174661
Energy: 1.1688255211201257
Energy: 1.2506053271742117
Energy: 1.3920745688907437
Energy: 1.1686786389385946
Energy: 1.1686452047211955
Energy: 1.1686786389390444
Energy: 1.4629345005914187
Energy: 1.2465266459130306
Energy: 1.818705437142541
Energy: 1.246526645912581
Energy: 1.1354240635617963
Energy: 1.2460996800489448
Energy: 1.8187423418603108
Energy: 1.2460996800546646
Energy: 1.528799833823402
Energy: 1.3308791627272487
Energy: 1.2495335841714954
Energy: 1.330879162726799

minimum gb energy = 1.1354240635617963 eV
minimum distance =  2.27819927445031 Angstroms
sigma value = 5


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

Energy: 1.3667321830925105
Energy: 1.3406329094851694
Energy: 1.9772753304746478
Energy: 1.3406329094815115
Energy: 1.5557025227002281
Energy: 1.222554814965681
Energy: 1.3326125303285388
Energy: 1.2225548149644616
Energy: 1.2393619982818038
Energy: 1.2791309821584638
Energy: 1.240830426450864
Energy: 1.2791309821596832
Energy: 1.2402606023944431
Energy: 1.2579889596180902
Energy: 1.375069748628349
Energy: 1.2579889596156515
Energy: 1.1885891262521961
Energy: 1.2583037926963019
Energy: 1.2181285769156527
Energy: 1.2583037926975214
Energy: 1.2769115471011214
Energy: 1.271355924551265
Energy: 1.2161140999526991
Energy: 1.2713559245524841
Energy: 1.3170949208133538
Energy: 1.2548519181785063
Energy: 1.3910034141001342
Energy: 1.254851918180945
Energy: 1.31900951587018
Energy: 1.2696682602966025
Energy: 1.4414544891894172
Energy: 1.269668260290506
Energy: 1.4910241318954522
Energy: 1.224886221022839
Energy: 1.3249801608863334
Energy: 1.224886221418945
Energy: 1.4938022358801724
Energy: 1.22475751062725
Energy: 1.3265999942944442
Energy: 1.2247575106248114
Energy: 1.2376605183733866
Energy: 1.2714902405653368
Energy: 1.2575201578296462
Energy: 1.2714902405677755
Energy: 1.2370481112993081
Energy: 1.2854465950190153
Energy: 1.2121208318038301
Energy: 1.2854465950202343
Energy: 1.3868933291201035
Energy: 1.288087771533141
Energy: 1.2093159099943322
Energy: 1.2880877714795473
Energy: 1.2107859917622215
Energy: 1.25935279042077
Energy: 1.2123672501175289
Energy: 1.2593527904280857
Energy: 1.2254537742909621
Energy: 1.3494394197004438
Energy: 1.4552600233334156
Energy: 1.349439419705321
Energy: 1.4962846881466234
Energy: 1.321296785390182
Energy: 1.3224715213194351
Energy: 1.3212967853938398
Energy: 1.4798244652896357
Energy: 1.2559401920402689
Energy: 1.4664818094972012
Energy: 1.2559401920427076
Energy: 1.2392442644486057
Energy: 1.2782587843440985
Energy: 1.438833385563402
Energy: 1.278258784342879
Energy: 1.3113084378243496
Energy: 1.2317798156904392
Energy: 1.2714318797571138
Energy: 1.2317798156867812
Energy: 1.2279139235828647
Energy: 1.2766090681209543
Energy: 1.2160651084714347
Energy: 1.2766090681185156
Energy: 1.2369020254025513
Energy: 1.250422068098953
Energy: 1.248014524404726
Energy: 1.250422068095295
Energy: 1.364355085696356
Energy: 1.2587608419383847
Energy: 1.2342361064627374
Energy: 1.2587608419432619
Energy: 1.240224792114742
Energy: 1.2805699300549789
Energy: 1.2327661590101515
Energy: 1.2805699300549789
Energy: 1.4439477235155374
Energy: 1.2304632368901538
Energy: 1.6165955585237577
Energy: 1.2304632368438757
Energy: 1.4387051575075924
Energy: 1.230358788310547
Energy: 1.5981336935079464
Energy: 1.2303587883117664
Energy: 1.3822819554766725
Energy: 1.2583130153428808
Energy: 1.2306812497715265
Energy: 1.2583130153465387
Energy: 1.2990900332220352
Energy: 1.2576742421083507
Energy: 1.2323700789057557
Energy: 1.2576742421120084
Energy: 1.254681157563672
Energy: 1.2539333829601016
Energy: 1.41405685230215
Energy: 1.2539333829601016
Energy: 1.2288913066358134
Energy: 1.2806253309686937
Energy: 1.2140788539744254
Energy: 1.2806253309711324
Energy: 1.4610862724741494
Energy: 1.346143488019777
Energy: 1.2977310023004258
Energy: 1.3461434880173384
Energy: 1.2739788880536007
Energy: 1.2770141092014682
Energy: 1.3458507368595565
Energy: 1.277014109202632
Energy: 1.3418024961884303
Energy: 1.2095819567413073
Energy: 1.5564941440909834
Energy: 1.2095819567449653
Energy: 1.65404332256887
Energy: 1.3209671822947555
Energy: 1.3244580445658773
Energy: 1.3209671822984137

minimum gb energy = 1.1885891262521961 eV
minimum distance =  2.23145289742484 Angstroms
sigma value = 1


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

Energy: 1.2215321778044703
Energy: 1.210953458860063
Energy: 1.9782650925694023
Energy: 1.210953458858377
Energy: 1.1868311495713324
Energy: 1.231057117510128
Energy: 1.2204610773201505
Energy: 1.231057117510128
Energy: 1.3130930774244245
Energy: 1.220593584210134
Energy: 1.2450338791908389
Energy: 1.220593584210134
Energy: 1.210343956877802
Energy: 1.219862222311215
Energy: 1.221990663993574
Energy: 1.219862222311215
Energy: 1.1609309389465783
Energy: 1.2103040762315724
Energy: 1.1629496385155473
Energy: 1.2103040762298864
Energy: 1.162387243548698
Energy: 1.161741693530822
Energy: 1.1618797276126156
Energy: 1.161741693530822
Energy: 1.2226959260277797
Energy: 1.2201287804207885
Energy: 1.3130225855311837
Energy: 1.2201287804224745
Energy: 1.2223820453770033
Energy: 1.2186760753566321
Energy: 1.313287351309929
Energy: 1.2186760753566321
Energy: 1.3652836253695544
Energy: 1.209707429923154
Energy: 1.211033462699759
Energy: 1.209707429923154
Energy: 1.3652836253695544
Energy: 1.2097957435631093
Energy: 1.2110283043484626
Energy: 1.2097957435647952
Energy: 1.2223404975772447
Energy: 1.2187507157743196
Energy: 1.313287351309929
Energy: 1.2187507157760054
Energy: 1.2226662930749423
Energy: 1.2201564265344864
Energy: 1.3130225855294977
Energy: 1.2201564265344864
Energy: 1.1615663679767672
Energy: 1.161692308811517
Energy: 1.161889225112434
Energy: 1.161692308813203
Energy: 1.1609323261272675
Energy: 1.2102526093822012
Energy: 1.1628916044195219
Energy: 1.2102526093822012
Energy: 1.2101615697800359
Energy: 1.2198406775786481
Energy: 1.221821198398203
Energy: 1.2198406775803337
Energy: 1.3130930774244245
Energy: 1.2205463726788754
Energy: 1.2454484715289522
Energy: 1.2205463726771895
Energy: 1.186890708358384
Energy: 1.231076332091139
Energy: 1.2205068040694447
Energy: 1.231076332091139
Energy: 1.2215321778027843
Energy: 1.210953458858377
Energy: 1.978265092577832
Energy: 1.210953458858377
Energy: 1.1868311495713324
Energy: 1.231057117510128
Energy: 1.2204610773201505
Energy: 1.231057117510128
Energy: 1.3130930774244245
Energy: 1.220593584210134
Energy: 1.2450338791672366
Energy: 1.220593584210134
Energy: 1.2103439568559238
Energy: 1.219862222311215
Energy: 1.221990663993574
Energy: 1.219862222311215
Energy: 1.1609309389465783
Energy: 1.2103040762282005
Energy: 1.1629496385138616
Energy: 1.2103040762315724
Energy: 1.1623872435503837
Energy: 1.1617416935291363
Energy: 1.1618797276126156
Energy: 1.1617416935274505
Energy: 1.2226959260277797
Energy: 1.2201287804207885
Energy: 1.3130225855294977
Energy: 1.2201287804224745

minimum gb energy = 1.1609309389465783 eV
minimum distance =  2.23430035728766 Angstroms
sigma value = 17


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

Energy: 1.3957674963257687
Energy: 1.229377971689501
Energy: 1.8845192623809897
Energy: 1.229377971688459
Energy: 1.4702785819222093
Energy: 1.2800424522111682
Energy: 1.3901122605652734
Energy: 1.2800424522080422
Energy: 1.2006623199745674
Energy: 1.2240733307447471
Energy: 1.222301584073001
Energy: 1.2240733307405791
Energy: 1.2369660681983417
Energy: 1.2027622642924163
Energy: 1.3794013201187607
Energy: 1.2027622642903322
Energy: 1.2122152544199998
Energy: 1.2172687918549119
Energy: 1.2128297942402293
Energy: 1.2172687918507437
Energy: 1.224418295200696
Energy: 1.2203909691417403
Energy: 1.2099703392927397
Energy: 1.220390969144866
Energy: 1.2164260728481893
Energy: 1.2203316661679435
Energy: 1.1806773549181504
Energy: 1.2203316661658596
Energy: 1.216434295153621
Energy: 1.220033051575449
Energy: 1.219181934266022
Energy: 1.2200330515723228
Energy: 1.4540752788773486
Energy: 1.2090206736763873
Energy: 1.3686576379240036
Energy: 1.2090206736763873
Energy: 1.5018822972736312
Energy: 1.2097592563626325
Energy: 1.3654123486546854
Energy: 1.2097592563595063
Energy: 1.2645057918870783
Energy: 1.2044493911306713
Energy: 1.4681214314157964
Energy: 1.2044493911285872
Energy: 1.2626550055124939
Energy: 1.2044139372967408
Energy: 1.3853687934822552
Energy: 1.2044139372936147
Energy: 1.226443578475881
Energy: 1.2240393534495537
Energy: 1.2179449695118358
Energy: 1.2240393534526794
Energy: 1.1887418759110968
Energy: 1.2178560695171405
Energy: 1.2179110485573599
Energy: 1.2178560695119305
Energy: 1.1934043095746534
Energy: 1.2347575772358121
Energy: 1.2213549014357339
Energy: 1.2347575772358121
Energy: 1.1996574758272365
Energy: 1.2186972333496593
Energy: 1.1935046379635788
Energy: 1.2186972333527855
Energy: 1.3598824566364869
Energy: 1.1907425356252237
Energy: 1.2554431678235516
Energy: 1.190742535621056
Energy: 1.2594629755048763
Energy: 1.2283623034873017
Energy: 1.4017104107740739
Energy: 1.2283623034852178
Energy: 1.3536719905851269
Energy: 1.1941662336531627
Energy: 1.3701362576787848
Energy: 1.1941662336521208
Energy: 1.590826019175051
Energy: 1.2112842799138794
Energy: 1.2711331592015764
Energy: 1.2112842799128372
Energy: 1.3070245299393168
Energy: 1.294056286680846
Energy: 1.434118290254413
Energy: 1.2940562866777199
Energy: 1.2100654069482197
Energy: 1.2164382206984412
Energy: 1.180466860506948
Energy: 1.216438220700525
Energy: 1.323675933539987
Energy: 1.2204898486376827
Energy: 1.2597294635934067
Energy: 1.220489848634557
Energy: 1.203164750515217
Energy: 1.2192988236014801
Energy: 1.1756188072822702
Energy: 1.219298823605601
Energy: 1.220963559564973
Energy: 1.2388285555556207
Energy: 1.243278732904311
Energy: 1.2388285555556207
Energy: 1.201779853111364
Energy: 1.2174788930799236
Energy: 1.2212960121284537
Energy: 1.2174788930715874
Energy: 1.3371760670139219
Energy: 1.217792199398782
Energy: 1.2583527571031579
Energy: 1.217792199398782
Energy: 1.3812774022261465
Energy: 1.1874463509208577
Energy: 1.5832775972866735
Energy: 1.1874463509218995
Energy: 1.3730476999028862
Energy: 1.1870310616784892
Energy: 1.5837399617798753
Energy: 1.1870310616795312
Energy: 1.200999555444259
Energy: 1.2176666323786294
Energy: 1.2214871020847908
Energy: 1.2176666323817553
Energy: 1.2028348121906236
Energy: 1.2179983335566784
Energy: 1.2588148844974734
Energy: 1.2179983335566784
Energy: 1.1984482576285374
Energy: 1.2328860613665817
Energy: 1.2116141775339662
Energy: 1.2328860613655397
Energy: 1.2065317458660447
Energy: 1.219816872174195
Energy: 1.1754148246777418
Energy: 1.2198168721783629
Energy: 1.2673680856312635
Energy: 1.2226915691568285
Energy: 1.1904798127222997
Energy: 1.2226915691599547
Energy: 1.2162087502925885
Energy: 1.216716068921359
Energy: 1.219846417826279
Energy: 1.216716068923443
Energy: 1.323957978539777
Energy: 1.1843088340631114
Energy: 1.3825986872455915
Energy: 1.184308834062069
Energy: 1.6083234377514644
Energy: 1.210721570382376
Energy: 1.270639752015725
Energy: 1.2107215703855019
Energy: 1.3802371878872093
Energy: 1.1956016471615736
Energy: 1.4560037070615424
Energy: 1.1956016471626156

minimum gb energy = 1.1754148246777418 eV
minimum distance =  2.24000646954918 Angstroms
sigma value = 89


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

Energy: 1.2922210924920559
Energy: 1.1524544504183645
Energy: 1.8074411150405698
Energy: 1.1524544504161645
Energy: 1.2503325694026268
Energy: 1.339721963127803
Energy: 1.2725301970080205
Energy: 1.339721963127803
Energy: 1.2459837291342697
Energy: 1.1423964547444996
Energy: 1.1493950642782567
Energy: 1.1423964547431362
Energy: 1.1653034118080572
Energy: 1.156871449447631
Energy: 1.3186655789547779
Energy: 1.1568714494473524
Energy: 1.167376123140085
Energy: 1.1566650452626648
Energy: 1.1380911029077958
Energy: 1.1566650452645544
Energy: 1.159994269521967
Energy: 1.2843896127905376
Energy: 1.2221795789256205
Energy: 1.2843896127905376
Energy: 1.159265530953885
Energy: 1.1427476409076762
Energy: 1.1380005614455972
Energy: 1.1427476409076762
Energy: 1.1606131983335684
Energy: 1.165263967498357
Energy: 1.2662837113638907
Energy: 1.1652639674994414
Energy: 1.2452794782380758
Energy: 1.1569088417846964
Energy: 1.1398301192834666
Energy: 1.156908841785781
Energy: 1.1587866717210584
Energy: 1.1569415074100289
Energy: 1.1399230907066848
Energy: 1.156941507409471
Energy: 1.2501543030304054
Energy: 1.1427155585866944
Energy: 1.278297217657884
Energy: 1.1427155585872522
Energy: 1.2485044729435144
Energy: 1.1430703734971972
Energy: 1.27655087670034
Energy: 1.143070373497476
Energy: 1.2464128954651197
Energy: 1.1571732540973763
Energy: 1.1402018017669477
Energy: 1.1571732540957345
Energy: 1.2452612138217114
Energy: 1.156765876862032
Energy: 1.1395646684408074
Energy: 1.1567658768623106
Energy: 1.158784560877036
Energy: 1.157610499544833
Energy: 1.193577584665674
Energy: 1.157610499543222

minimum gb energy = 1.1380005614455972 eV
minimum distance =  2.23657871055711 Angstroms
sigma value = 13


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

Energy: 1.210050878090191
Energy: 1.1120639650128004
Energy: 1.7180224319622084
Energy: 1.1120639650162287
Energy: 1.1875089223314963
Energy: 1.2546728805284049
Energy: 1.1589043746323615
Energy: 1.2546728805284049
Energy: 1.1621569111337413
Energy: 1.0828610834744805
Energy: 1.1639403838660225
Energy: 1.0828610834733376
Energy: 1.143701321142136
Energy: 1.155309485125583
Energy: 1.1607703203446165
Energy: 1.1553094850787824
Energy: 1.1140619016594329
Energy: 1.0913987869639987
Energy: 1.1131522379573722
Energy: 1.0913987869639987
Energy: 1.2170336833321842
Energy: 1.090661098304676
Energy: 1.1479209153206091
Energy: 1.090661098304676
Energy: 1.1141774124691155
Energy: 1.0828902635259967
Energy: 1.118965274832183
Energy: 1.0828902635271394
Energy: 1.1208800375991783
Energy: 1.1128915069790595
Energy: 1.114665907618061
Energy: 1.112891507032717
Energy: 1.1132373157419684
Energy: 1.09089093567199
Energy: 1.1048345742576866
Energy: 1.09089093567199
Energy: 1.2871025550792863
Energy: 1.0913316348391426
Energy: 1.1580405211335048
Energy: 1.0913316348402855
Energy: 1.1599981647106294
Energy: 1.0819409671359386
Energy: 1.1630419594750296
Energy: 1.0819409671347957
Energy: 1.144266736259392
Energy: 1.0853867076542827
Energy: 1.1127595514073212
Energy: 1.0853867076554253
Energy: 1.1725028067409438
Energy: 1.1054289154675525
Energy: 1.190777073184418
Energy: 1.1054289154664099
Energy: 1.1940643682576886
Energy: 1.1081343128166132
Energy: 1.2847021462252435
Energy: 1.108134312817756
Energy: 1.1597178423421937
Energy: 1.0816618722847724
Energy: 1.1620353352077575
Energy: 1.0816618722847724
Energy: 1.1442667032246372
Energy: 1.0819878792634263
Energy: 1.1678766078574263
Energy: 1.0819878792634263
Energy: 1.1726106208277376
Energy: 1.090672827625842
Energy: 1.1052133936298068
Energy: 1.0906728276269846
Energy: 1.118056717389997
Energy: 1.091041536909954
Energy: 1.168832249242844
Energy: 1.0910415369088111
Energy: 1.114308238782681
Energy: 1.0810713214827778
Energy: 1.120589783923016
Energy: 1.0810713214839205
Energy: 1.1203676509198444
Energy: 1.0811443640103862
Energy: 1.1139717945047487
Energy: 1.0811443640103862
Energy: 1.1690059674591549
Energy: 1.091044162259548
Energy: 1.1194844162955535
Energy: 1.0910441622572624
Energy: 1.1051555295396833
Energy: 1.0906672705281741
Energy: 1.1726106208323084
Energy: 1.0906672705281741
Energy: 1.1678766078574263
Energy: 1.0808617325186363
Energy: 1.144369863694113
Energy: 1.0808617325186363
Energy: 1.1620353352054722
Energy: 1.0814810644326807
Energy: 1.1597122016575518
Energy: 1.0814810644326807
Energy: 1.2846821908574473
Energy: 1.108128332216757
Energy: 1.1940512141928665
Energy: 1.108128332216757
Energy: 1.1907057775823402
Energy: 1.1054289277352267
Energy: 1.1725028067398011
Energy: 1.1054289277352267
Energy: 1.114075820937593
Energy: 1.0855039080269058
Energy: 1.14433619904965
Energy: 1.0855039080280484
Energy: 1.1630419594750296
Energy: 1.0819444775997702
Energy: 1.159550398758268
Energy: 1.081944477600913
Energy: 1.158082970284968
Energy: 1.0911532188634954
Energy: 1.2872268270962444
Energy: 1.0911532188646382
Energy: 1.1048166135356945
Energy: 1.0909317469614548
Energy: 1.113204614390188
Energy: 1.0909317469614548
Energy: 1.1149900765260143
Energy: 1.1128177327928708
Energy: 1.121050158976479
Energy: 1.1128177327928708
Energy: 1.1192011827292094
Energy: 1.0828911218911728
Energy: 1.1140248019680252
Energy: 1.0828911218911728
Energy: 1.1477822730846952
Energy: 1.0906589567653493
Energy: 1.2170087314402414
Energy: 1.0906589567653493
Energy: 1.113099786652864
Energy: 1.0914690357640746
Energy: 1.1140576697510183
Energy: 1.091469035762932
Energy: 1.1608401872612282
Energy: 1.1556022340214305
Energy: 1.1445568860638442
Energy: 1.1556022340214305

minimum gb energy = 1.0808617325186363 eV
minimum distance =  2.25298082721412 Angstroms
sigma value = 37


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

Energy: 1.2228556170749607
Energy: 1.057138681607811
Energy: 1.6307953396394284
Energy: 1.0571386816076322
Energy: 1.2363916127965302
Energy: 1.3045932289547992
Energy: 1.1628388333634365
Energy: 1.304593228956363
Energy: 1.1405110442866282
Energy: 1.0158343799722283
Energy: 1.183873202062258
Energy: 1.0158343799724292
Energy: 1.18170418688316
Energy: 1.040181593445599
Energy: 1.1627902936547891
Energy: 1.040181593444415
Energy: 1.0930740697966295
Energy: 1.01545479494092
Energy: 1.1344221005536905
Energy: 1.0154547949407189
Energy: 1.182209532213536
Energy: 1.0292430817797626
Energy: 1.103085156293173
Energy: 1.0292430817795617
Energy: 1.0701266049313924
Energy: 1.0161634532921633
Energy: 1.112161179726222
Energy: 1.0161634532929453
Energy: 1.1231534472498657
Energy: 1.3786831329992495
Energy: 1.1408005285246494
Energy: 1.3786831329994507
Energy: 1.0693836403197412
Energy: 1.0145081216658114
Energy: 1.0966323253181092
Energy: 1.0145081216660126
Energy: 1.1819649340993368
Energy: 1.0298243033431191
Energy: 1.092836359411469
Energy: 1.0298243033432979
Energy: 1.0805585870470167
Energy: 1.014280675174328
Energy: 1.1332386890590143
Energy: 1.014280675173345
Energy: 1.0821627191163212
Energy: 1.0298280413784806
Energy: 1.2465428939070926
Energy: 1.0298280413804466
Energy: 1.1409207036422588
Energy: 1.0143029625004656
Energy: 1.1403407554062905
Energy: 1.0143029625008453
Energy: 1.0733823583345639
Energy: 1.014208168130471
Energy: 1.139680309961032
Energy: 1.0142081681300914
Energy: 1.1833185126161647
Energy: 1.0550197607853085
Energy: 1.1328983800715466
Energy: 1.0550197607856882
Energy: 1.16284918957455
Energy: 1.0564348235398604
Energy: 1.131940544821226
Energy: 1.0564348235396817
Energy: 1.140530542701641
Energy: 1.014078378140238
Energy: 1.1398471580084928
Energy: 1.0140783781413998
Energy: 1.139336350504654
Energy: 1.01454111276873
Energy: 1.1398152392895076
Energy: 1.0145411127681268
Energy: 1.0796064261148182
Energy: 1.013945885436105
Energy: 1.1330539577698127
Energy: 1.013945885434139
Energy: 1.0824204231229508
Energy: 1.0305620967979856
Energy: 1.1408812734943183
Energy: 1.0305620967972038

minimum gb energy = 1.013945885434139 eV
minimum distance =  2.24815280722271 Angstroms
sigma value = 25


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

Energy: 1.1496783313558703
Energy: 0.9573492166339009
Energy: 1.4175093456712886
Energy: 0.9573492166339009
Energy: 1.0684123529840281
Energy: 1.214271873163492
Energy: 1.0227412875253923
Energy: 1.214271873163492
Energy: 1.0387396367198065
Energy: 0.9390032306248325
Energy: 1.1073659307018098
Energy: 0.9390032306248325
Energy: 1.0537955941913364
Energy: 0.9868766282158522
Energy: 1.1090213898275756
Energy: 0.9868766282158522
Energy: 1.0436604452535345
Energy: 0.9183839835098326
Energy: 1.0190245985494124
Energy: 0.9183839835098326
Energy: 1.0539558466740346
Energy: 0.964097185234523
Energy: 1.0592187311883543
Energy: 0.964097185234523
Energy: 0.9918991968529491
Energy: 0.9204739830756827
Energy: 1.0242771780975422
Energy: 0.920473983077218
Energy: 1.0324202636686037
Energy: 0.9242426175579244
Energy: 1.0803769836245098
Energy: 0.9242426175579244
Energy: 0.9840054642987223
Energy: 0.9179637709456194
Energy: 0.9957633107176358
Energy: 0.9179637709440841
Energy: 1.0490404014400512
Energy: 1.2892209563958703
Energy: 1.0197833860697758
Energy: 1.2892209563958703
Energy: 0.9841626374894052
Energy: 0.9178202365512313
Energy: 0.9971223520206066
Energy: 0.9178202365512313
Energy: 1.0312294624776037
Energy: 0.9272330202244883
Energy: 1.0799099516595907
Energy: 0.9272330202244883
Energy: 0.985599579897469
Energy: 0.918041902007174
Energy: 1.0183933277546124
Energy: 0.9180419020087092
Energy: 1.028169427268433
Energy: 1.0246901236199704
Energy: 1.0190182790056
Energy: 1.0246901236199704
Energy: 1.0323339756117802
Energy: 0.9178615260775328
Energy: 1.0218009863414308
Energy: 0.9178615260775328
Energy: 1.0463900908584203
Energy: 0.9175570092654699
Energy: 0.9960865877243088
Energy: 0.9175570092670052
Energy: 1.0360442533918717
Energy: 0.9391625108005761
Energy: 1.0827857342235727
Energy: 0.9391625108021113
Energy: 0.9906571731625659
Energy: 0.9693206411399985
Energy: 1.059722060018303
Energy: 0.9693206411369281
Energy: 1.1227112241033665
Energy: 0.9562441983196933
Energy: 1.0223121181082973
Energy: 0.9562441983196933
Energy: 1.068329756974543
Energy: 0.9562666680729535
Energy: 1.0268321647850356
Energy: 0.9562666680744887
Energy: 1.0360720477500054
Energy: 0.9393528680837243
Energy: 1.0825643963226923
Energy: 0.9393528680852595
Energy: 1.0307341471199256
Energy: 0.9390836764064963
Energy: 1.0595019984271175
Energy: 0.9390836764064963
Energy: 1.0326995986060812
Energy: 0.9186282949778892
Energy: 1.0187452275142286
Energy: 0.9186282949778892
Energy: 1.068016364758083
Energy: 0.9193688989782164
Energy: 1.0413766003967955
Energy: 0.9193688989797518
Energy: 0.9871387875514942
Energy: 0.9187224846380572
Energy: 1.0184350980090098
Energy: 0.9187224846380572
Energy: 1.036746451674181
Energy: 0.9244595421072334
Energy: 1.0187842810221603
Energy: 0.9244595421072334

minimum gb energy = 0.9175570092654699 eV
minimum distance =  2.25584079134251 Angstroms
sigma value = 41


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

Energy: 1.1174932951896133
Energy: 0.8902339153332326
Energy: 1.264223745436291
Energy: 0.8902339153319739
Energy: 0.9491018954820867
Energy: 1.0458117312044215
Energy: 0.9795677191227592
Energy: 1.0458117311968698
Energy: 0.9577677385746494
Energy: 0.8630205652532497
Energy: 1.0513071765026607
Energy: 0.8630205652570256
Energy: 0.9737634897727926
Energy: 0.9209928400935519
Energy: 0.9785404738730591
Energy: 0.9209928400797067
Energy: 1.0254607161349372
Energy: 0.8524219242545127
Energy: 0.936757754733619
Energy: 0.8524219242570299
Energy: 0.974229829710215
Energy: 0.9131369151033224
Energy: 0.9731919991945329
Energy: 0.9131369150982879
Energy: 0.9360590476683306
Energy: 0.8409314320656943
Energy: 0.9720462959672385
Energy: 0.8409314320631771
Energy: 0.9756363196225416
Energy: 0.9157933012057431
Energy: 0.9728725552283036
Energy: 0.915793301203226
Energy: 0.9650678303079836
Energy: 0.8410040920891577
Energy: 0.9183655129075735
Energy: 0.8410040920878991
Energy: 1.002061549043785
Energy: 0.9561570380940886
Energy: 0.9734480887267304
Energy: 0.9561570410040384
Energy: 0.9351855806719906
Energy: 0.8409217544470498
Energy: 0.928408248500671
Energy: 0.8409217544483083
Energy: 0.951077500006908
Energy: 1.227715290576461
Energy: 0.9854265748691976
Energy: 1.2277152905802085
Energy: 0.9363439039755428
Energy: 0.8410421294268502
Energy: 0.9272197227535435
Energy: 0.8410421294218157
Energy: 1.004254585142427
Energy: 0.8482647426836313
Energy: 0.9683790348772371
Energy: 0.8482647426836313
Energy: 0.9626129319418877
Energy: 0.8410809188436603
Energy: 0.917378354190308
Energy: 0.8410809188486662
Energy: 0.9585342870126187
Energy: 0.9478936092130114
Energy: 1.028516914347254
Energy: 0.9478936092117526
Energy: 0.9408999984462548
Energy: 0.8410456769133866
Energy: 0.9679291215045008
Energy: 0.8410456769096106
Energy: 0.9771263335596679
Energy: 0.841085541176628
Energy: 0.9801255896530623
Energy: 0.8410855411753694
Energy: 1.007721842040428
Energy: 0.8523746133023666
Energy: 0.9385493350357762
Energy: 0.8523746132998493
Energy: 0.9843764508466977
Energy: 0.9142640192243542
Energy: 0.9424737573445877
Energy: 0.914264019225613
Energy: 0.9554475998869365
Energy: 0.8619324835299728
Energy: 1.0289891615287685
Energy: 0.8619324835299728
Energy: 0.9488131213219326
Energy: 0.9297457092994653
Energy: 0.9786759093819916
Energy: 0.9297457092994653
Energy: 1.0857474830542964
Energy: 0.8897378662500941
Energy: 0.9401953735175468
Energy: 0.8897378662526113
Energy: 1.0047070705838583
Energy: 0.926399538970983
Energy: 0.9513121939623296
Energy: 0.9263995389722417
Energy: 0.9554608999285803
Energy: 0.8619901476042096
Energy: 1.0290869923180337
Energy: 0.8619901476042096
Energy: 0.9770095290062834
Energy: 0.9037162413143778
Energy: 0.9787936153715197
Energy: 0.9037162413118606
Energy: 1.007616754711358
Energy: 0.8524956502448369
Energy: 0.9405294923615933
Energy: 0.8524956502448369
Energy: 0.985334277278068
Energy: 0.8516257662095199
Energy: 0.9790019732672092
Energy: 0.8516257662082612
Energy: 0.9381116671526973
Energy: 0.8411729987736248
Energy: 0.9679934317498052
Energy: 0.8411729987723662
Energy: 0.9745173567856735
Energy: 0.8407261057374101
Energy: 0.9760797961176712
Energy: 0.8407261057386688
Energy: 0.96336652992943
Energy: 0.841037439386368
Energy: 0.9200028201794932
Energy: 0.8410374393838507
Energy: 0.9589515883262428
Energy: 0.8451679108482418
Energy: 0.9631240150277808
Energy: 0.8451679108532764

minimum gb energy = 0.8407261057374101 eV
minimum distance =  2.25886840576382 Angstroms
sigma value = 15


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

Energy: 1.0510736176536668
Energy: 0.8257580277377494
Energy: 1.1455455165626067
Energy: 0.825758027739882
Energy: 0.9221266836583899
Energy: 0.9672721691993549
Energy: 0.9059787399810549
Energy: 0.9672721692025537
Energy: 0.8905259334695582
Energy: 0.8125710000124209
Energy: 0.9962627417912558
Energy: 0.8125710000070897
Energy: 0.916551531597322
Energy: 0.8541265629444508
Energy: 0.9065701649455964
Energy: 0.8541265629412521
Energy: 0.9748979769532325
Energy: 0.7947385172771341
Energy: 0.8720654664316478
Energy: 0.7947385172750017
Energy: 0.9168876661640963
Energy: 0.8501037861942242
Energy: 0.9084324980964206
Energy: 0.8501037861931581
Energy: 0.8662887185147607
Energy: 0.7870967851659116
Energy: 0.9424562441248125
Energy: 0.7870967851669781
Energy: 0.9092491550717665
Energy: 0.8460119572649344
Energy: 0.908555162386007
Energy: 0.8460119572670671
Energy: 0.918758888151429
Energy: 0.7787801970797863
Energy: 0.8574232282782056
Energy: 0.7787801970797863
Energy: 0.9094849681992418
Energy: 0.8527094590443421
Energy: 0.9108428009179173
Energy: 0.8527094590454084
Energy: 0.8650545146045685
Energy: 0.7784314781788013
Energy: 0.8950044110447958
Energy: 0.7784314781756024
Energy: 0.9096228139409199
Energy: 0.9011689067993978
Energy: 0.9381544907277093
Energy: 0.9011689067898015
Energy: 0.8825672251633496
Energy: 0.780110803776965
Energy: 0.8690039343064124
Energy: 0.7801108037737664
Energy: 0.9225872455912677
Energy: 0.7929005674423242
Energy: 0.89715478781681
Energy: 0.7929005674433904
Energy: 0.8820779342667077
Energy: 0.7789063098224482
Energy: 0.8682304806187753
Energy: 0.7789063098224482
Energy: 0.9115940228769462
Energy: 0.7978652177747637
Energy: 0.9436663308517458
Energy: 0.79786521777583
Energy: 0.8663272690108994
Energy: 0.7790659623152162
Energy: 0.8936855266540279
Energy: 0.7790659623109513
Energy: 0.9510072330741586
Energy: 0.8828825781860803
Energy: 0.9064025067175977
Energy: 0.882882578113624
Energy: 0.9182008898541975
Energy: 0.7789046266808866
Energy: 0.8593768397641605
Energy: 0.7789046266808866
Energy: 0.9127093361580599
Energy: 0.7920922511681661
Energy: 0.9059725223392817
Energy: 0.7920922511628349
Energy: 0.8692829031638779
Energy: 0.7855789667360397
Energy: 0.9222723200496005
Energy: 0.7855789667339071
Energy: 0.9069068341684527
Energy: 0.8453009382780335
Energy: 0.9267215334296551
Energy: 0.8453009382759011
Energy: 0.9620913705744106
Energy: 0.7949934510578506
Energy: 0.873017515628722
Energy: 0.794993451059983
Energy: 0.9110012194312801
Energy: 0.8521139478348556
Energy: 0.8876831678612889
Energy: 0.8521139478391204
Energy: 0.8892880647859767
Energy: 0.8117112944110036
Energy: 0.9746941510973121
Energy: 0.8117112944142023
Energy: 0.8839045141557031
Energy: 0.8618143099029485
Energy: 0.9281152288580747
Energy: 0.8618143099018823
Energy: 1.0240038192895784
Energy: 0.8241358931164514
Energy: 0.8749563044769747
Energy: 0.8241358931143189
Energy: 0.9221187694958008
Energy: 0.8667683761887708
Energy: 0.8833099002568693
Energy: 0.8667683761887708
Energy: 0.8954657378090142
Energy: 0.8108264183603404
Energy: 0.9758216764411087
Energy: 0.8108264183614068
Energy: 0.9055491611522383
Energy: 0.8523641543198731
Energy: 0.9281786395662649
Energy: 0.8523641543177406
Energy: 0.9617320558950012
Energy: 0.7947989979602614
Energy: 0.8745736480370068
Energy: 0.7947989979581289
Energy: 0.9110070458903939
Energy: 0.8479657244945731
Energy: 0.9060727827439014
Energy: 0.8479657244924406
Energy: 0.8677703690879529
Energy: 0.7856334645600467
Energy: 0.9222487742266307
Energy: 0.7856334645600467
Energy: 0.9071783506203707
Energy: 0.7864146918749394
Energy: 0.9203099684535655
Energy: 0.7864146918760055
Energy: 0.91820807401592
Energy: 0.7784717825844073
Energy: 0.8642761726550763
Energy: 0.7784717825897385
Energy: 0.9128509173955719
Energy: 0.7894924037525963
Energy: 0.9097566616823467
Energy: 0.7894924037536627
Energy: 0.8643959420678639
Energy: 0.7784950639071415
Energy: 0.893562049511468
Energy: 0.7784950639103403

minimum gb energy = 0.7784314781756024 eV
minimum distance =  2.26183375745423 Angstroms
sigma value = 85


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

Energy: 1.0452168269317674
Energy: 0.7864341150039393
Energy: 1.0348794856319723
Energy: 0.7864341150020897
Energy: 0.8114639658429003
Energy: 0.9156234170632341
Energy: 0.8465076570632436
Energy: 0.9156234170623095
Energy: 0.7945229771119743
Energy: 0.7808937255824309
Energy: 1.0046418291431365
Energy: 0.7808937255824309
Energy: 0.8336510379840789
Energy: 0.7673385430097377
Energy: 0.856184765038032
Energy: 0.7673385430106623
Energy: 0.9584686285600124
Energy: 0.7439202205625014
Energy: 0.7862069165270202
Energy: 0.7439202205625014
Energy: 0.833402061344911
Energy: 0.7635564295934869
Energy: 0.844833632031917
Energy: 0.7635564295944116
Energy: 0.789611871215134
Energy: 0.7430592455355175
Energy: 0.9262697186604655
Energy: 0.7430592455382917
Energy: 0.8346609990365592
Energy: 0.8129580440355657
Energy: 0.8450084090720685
Energy: 0.812958044034641
Energy: 0.8917673001188031
Energy: 0.7208535718072153
Energy: 0.8049587958060049
Energy: 0.7208535718062904
Energy: 0.8346890616488815
Energy: 0.7780278330259386
Energy: 0.8487853076839044
Energy: 0.7780278330222395
Energy: 0.7796880400425862
Energy: 0.7205318801711047
Energy: 0.8663376435524272
Energy: 0.720531880166481
Energy: 0.8495503640142522
Energy: 0.7930227807975218
Energy: 0.8489608265009866
Energy: 0.7930227807975218
Energy: 0.8360040963917583
Energy: 0.719875772881994
Energy: 0.8030682518790206
Energy: 0.719875772881994
Energy: 0.8766520361985762
Energy: 0.733583474129335
Energy: 0.8489412104495268
Energy: 0.7335834741284104
Energy: 0.7940215968976004
Energy: 0.7207473914549598
Energy: 0.8249238339493183
Energy: 0.720747391454035
Energy: 0.8394930677050578
Energy: 0.7317158337771612
Energy: 0.8576353427662309
Energy: 0.7317158337799354
Energy: 0.7979557570806928
Energy: 0.7207515719392658
Energy: 0.8206201148260563
Energy: 0.7207515719392658
Energy: 0.8781281753058138
Energy: 0.9158211507819468
Energy: 0.8481321049395948
Energy: 0.9158211507800974
Energy: 0.8282741932249282
Energy: 0.720458867423677
Energy: 0.8040187388795358
Energy: 0.7204588674246019
Energy: 0.8519192535224512
Energy: 0.8280724209867163
Energy: 0.8783900111391928
Energy: 0.8280724209885659
Energy: 0.7769730875371319
Energy: 0.7205359513763925
Energy: 0.8579347957722031
Energy: 0.7205359513791668
Energy: 0.8347322359407298
Energy: 0.7145334214662439
Energy: 0.8472685346088207
Energy: 0.7145334214662439
Energy: 0.8696788460147478
Energy: 0.7192879283939012
Energy: 0.8089392377644908
Energy: 0.7192879283948258
Energy: 0.8577622268450035
Energy: 0.7764141527791695
Energy: 0.8235591905726959
Energy: 0.7764141527782447
Energy: 0.7911000336301164
Energy: 0.7424842139032395
Energy: 0.9061472733761966
Energy: 0.742484213905089
Energy: 0.8335730025812303
Energy: 0.8209063188847714
Energy: 0.8448483591084321
Energy: 0.820906318886621
Energy: 0.9232003191461117
Energy: 0.7434617601463657
Energy: 0.7870702009069354
Energy: 0.7434617601500436
Energy: 0.8672921931667962
Energy: 0.7776622663627524
Energy: 0.7922836864249261
Energy: 0.777662266360903
Energy: 0.793766899047836
Energy: 0.7813001429604471
Energy: 0.9629979225319599
Energy: 0.7813001429585975
Energy: 0.8115230246612123
Energy: 0.7697332419941043
Energy: 0.8467994840653543
Energy: 0.7697332419913299
Energy: 0.9619203947335146
Energy: 0.7865899099597091
Energy: 0.7884782043551576
Energy: 0.7865899099597091
Energy: 0.8800226773755925
Energy: 0.7899970859989236
Energy: 0.7921851714058799
Energy: 0.7899970859998485
Energy: 0.7936858795173217
Energy: 0.7811830706690532
Energy: 0.9629900900907887
Energy: 0.781183070669978
Energy: 0.8334331210193067
Energy: 0.7673804058906097
Energy: 0.8476987001075175
Energy: 0.7673804058878355
Energy: 0.9230338472486522
Energy: 0.7440885264141283
Energy: 0.7883048667386857
Energy: 0.7440885264159777
Energy: 0.8672184067265936
Energy: 0.776487960013605
Energy: 0.8233454714126132
Energy: 0.7764879600154546
Energy: 0.7907453839403544
Energy: 0.7424788519784765
Energy: 0.9061546310471652
Energy: 0.7424788519803261
Energy: 0.8345827848198175
Energy: 0.71082432472272
Energy: 0.8449045649777087
Energy: 0.7108243247236448
Energy: 0.8696852028117141
Energy: 0.7194538911123581
Energy: 0.8040155001476885
Energy: 0.7194538911114334
Energy: 0.858084428918164
Energy: 0.7096753230478439
Energy: 0.8371429793037942
Energy: 0.7096753230478439
Energy: 0.7795097455407568
Energy: 0.7195853999600158
Energy: 0.8580688412788197
Energy: 0.719585399959091
Energy: 0.8493553757881057
Energy: 0.7144849486431961
Energy: 0.8476170068507124
Energy: 0.7144849486459703
Energy: 0.8282712290243258
Energy: 0.7097794489320134
Energy: 0.8038472960429341
Energy: 0.7097794489329382

minimum gb energy = 0.7096753230478439 eV
minimum distance =  2.26535154767995 Angstroms
sigma value = 113


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

Energy: 0.014073973154912755
Energy: 0.014175819948372304
Energy: 1.3783923475175752
Energy: 0.014175819948372304
Energy: 0.015233804144804608
Energy: 0.6657135612185633
Energy: 0.015233804145515515
Energy: 0.6657135612178524
Energy: 1.3783923475182467
Energy: 0.014175819948372304
Energy: 0.014073973154912755
Energy: 0.014175819948372304
Energy: 0.015233804145515515
Energy: 0.6657135612185633
Energy: 0.01523380414622642
Energy: 0.6657135612185633
Energy: 0.014073973154912755
Energy: 0.014175819948372304
Energy: 1.3783923475175752
Energy: 0.014175819948372304
Energy: 0.015233804144804608
Energy: 0.6657135612178524
Energy: 0.015233804145515515
Energy: 0.6657135612185633

minimum gb energy = 0.014073973154912755 eV
minimum distance =  2.41048131232399 Angstroms
sigma value = 1