Model name: model_name=Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.522514119744301
cohesive_energy=4.283954346198121
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[5.41683102542328e-20, 2.48973442393698e-19, 3.84366981026502e-19, 4.2615975852439194e-19, 4.75500390145056e-19, 5.218882102292579e-19, 5.62182952574358e-19, 5.92210947048786e-19, 6.13508681044548e-19, 6.279426903402539e-19, 6.36652122522678e-19, 6.415676004357899e-19, 6.46196288731416e-19, 6.526466518599e-19, 6.59362976309628e-19, 6.653759452170299e-19, 6.70437221203836e-19, 6.746333218082819e-19, 6.78158110403082e-19, 6.81120534999348e-19, 6.8347253029806e-19, 6.85108352641374e-19, 6.86024797676022e-19, 6.86311587293508e-19, 6.860296042059239e-19, 6.851323852908839e-19, 6.836359523147279e-19, 6.81615607579254e-19, 6.791514599161619e-19, 6.7627074632823e-19, 6.7285811009781e-19, 6.678320819969519e-19, 6.580123414071659e-19, 6.36874825074804e-19, 6.066177193417139e-19, 5.653889080189919e-19, 5.09447308666248e-19, 4.5607560063444e-19, 4.1340963687101995e-19, 3.6413789884561797e-19, 2.48371023979314e-19, -9.271427680332179e-20, -1.113621708641112e-18, -3.49545274063146e-18, -7.78766792135112e-18, -1.438128166268106e-17, -2.3225472921790798e-17, -3.58281943248348e-17, -5.76937397196864e-17, -7.09886014286184e-17, -7.09998166650564e-17, -7.10643843834066e-17, -7.1257606885467e-17, -7.16648801858298e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017402133963045515
Energy: 0.09028699639850263
Energy: 3.1860628806796214
Energy: 0.018565066642818876
Energy: 0.09028699639784205
Energy: 2.6056491244648132
Energy: 0.01856506664410334
Energy: 2.605649124688201
Energy: 3.1860618792146225
Energy: 0.01856506664344276
Energy: 0.017402133963045515
Energy: 0.09028699639784205
Energy: 0.01856506664344276
Energy: 2.605649124504191
Energy: 0.09028699639784205
Energy: 2.6056491232555756

minimum gb energy = 0.017402133963045515 eV
minimum distance =  2.38396535037097 Angstroms
sigma value = 1


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

Energy: -2.562562670868949
Energy: 0.9161359724898495
Energy: 0.9521410466057193
Energy: 0.894889512352947
Energy: 0.9283726966101556
Energy: 0.9507288613016167
Energy: 0.9279812843637419
Energy: 0.9507288613000144
Energy: 0.9142124315220703
Energy: 0.9137060320207973
Energy: 0.9466222075326991
Energy: 0.9137060320199962
Energy: 0.9293245166789039
Energy: 0.9563602686639203
Energy: 0.9278506974780769
Energy: 0.9563602686631191
Energy: 1.0500944211671568
Energy: 0.9561889066787344
Energy: 0.9354154678964726
Energy: 0.9561889066755297
Energy: 0.9317408117785023
Energy: 1.0210308604570826
Energy: 0.9290363594507111
Energy: 1.0210308604578837
Energy: 1.0179016840699473
Energy: 1.0257600586859767
Energy: 1.0431690751790523
Energy: 1.0257600586835733
Energy: 1.0241892625517015
Energy: 1.0034894527103577
Energy: 0.9650792947905256
Energy: 1.003489452713562
Energy: 1.0835551766488964
Energy: 1.0210978435931923
Energy: 1.0794530663609785
Energy: 1.0210978435923912
Energy: 1.0235025561705002
Energy: 1.043320789420252
Energy: 1.0636343714541918
Energy: 1.0433207894186498
Energy: 1.0971453649171505
Energy: 1.0204053988962591
Energy: 1.0797238130873283
Energy: 1.0204053988946569
Energy: 1.0221209997646359
Energy: 1.0215616205951172
Energy: 0.9352387457779097
Energy: 1.0215616205959184
Energy: 1.0202560989975824
Energy: 1.0225229288936244
Energy: 0.971849718021102
Energy: 1.0225229288920221
Energy: 0.9304215682023781
Energy: 1.0209931937204386
Energy: 1.0046059450147706
Energy: 1.0209931937196373
Energy: 0.9768757685099391
Energy: 0.9529200856789398
Energy: 0.9293225831947797
Energy: 0.9529200856789398
Energy: 0.8932031483439417
Energy: 0.9573770904933473
Energy: 0.927939128389915
Energy: 0.9573770904941484
Energy: 0.9230742855518865
Energy: 0.9111531654358228
Energy: 0.901097318316066
Energy: 0.9111531654358228
Energy: 0.9276016342970402
Energy: 0.9563657490271916
Energy: 0.970560192409064
Energy: 0.9563657490327997
Energy: 0.9458106492517814
Energy: 0.9178736976268955
Energy: 0.9151093155871249
Energy: 0.9178736976252933
Energy: 0.9266631949248298
Energy: 0.9306124218095589
Energy: 0.9298764574728308
Energy: 0.9306124218127634
Energy: 0.933813177682999
Energy: 0.9568295008954717
Energy: 1.0478914857293213
Energy: 0.9568295008986762
Energy: 0.9298543542825476
Energy: 0.9563863790840708
Energy: 0.9298404265783183
Energy: 0.9563863790848719
Energy: 1.0443880481726469
Energy: 1.0251142824782422
Energy: 1.0174197682397075
Energy: 1.025114282477441
Energy: 0.9564912338423529
Energy: 1.0218187306598947
Energy: 1.0191885601442272
Energy: 1.0218187306598947
Energy: 1.08574341351733
Energy: 1.0207966097285857
Energy: 1.083512102907792
Energy: 1.0207966097285857
Energy: 1.0789287838848471
Energy: 1.023588569162186
Energy: 1.0268002471920572
Energy: 1.0235885691629871
Energy: 1.0787987183645007
Energy: 1.0204742555580248
Energy: 1.1116657258327598
Energy: 1.0204742555572237
Energy: 0.9329053512102745
Energy: 1.0222389118659005
Energy: 1.042185372199327
Energy: 1.0222389118650994
Energy: 0.9713177837113632
Energy: 1.0223179478760989
Energy: 1.0202240561147407
Energy: 1.0223179478769
Energy: 0.970677355128558
Energy: 1.026591692580932
Energy: 0.9320137632657438
Energy: 1.026591692581733
Energy: 0.9306192056538966
Energy: 0.9517063188202067
Energy: 0.9770883658980986
Energy: 0.9517063188186043
Energy: 0.9287072210859302
Energy: 0.957265347180136
Energy: 0.8889682382276483
Energy: 0.957265347180136
Energy: 0.9011100006454468
Energy: 0.9116835845089895
Energy: 0.9220423598292387
Energy: 0.9116835845065859

minimum gb energy = -2.562562670868949 eV
minimum distance =  2.19587524314429 Angstroms
sigma value = 1


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

Energy: 1.094139625978528
Energy: 0.9913884585084733
Energy: 1.0314613544615792
Energy: 0.974467395687561
Energy: 0.9949153665890389
Energy: 1.0342380689065955
Energy: 1.0106880493342634
Energy: 1.0342380689065955
Energy: 0.9963920991476847
Energy: 0.9928260867568777
Energy: 1.0323297969212764
Energy: 0.9928260867568777
Energy: 0.992753773502415
Energy: 1.0350526200422014
Energy: 1.010567770774044
Energy: 1.0350526200403747
Energy: 1.0198449229496556
Energy: 1.0388164797657757
Energy: 1.0129318286392448
Energy: 1.0388164797657757
Energy: 1.0927890542493992
Energy: 1.105889913838816
Energy: 1.009429617764275
Energy: 1.105889913838816
Energy: 1.0985662561850944
Energy: 1.1052128211785208
Energy: 1.1058126664916115
Energy: 1.1052128211803476
Energy: 1.0988855794104488
Energy: 1.1087116918750248
Energy: 1.0275927848802675
Energy: 1.1087116918750248
Energy: 1.1035452736600393
Energy: 1.1033203366454374
Energy: 1.1357369006140794
Energy: 1.1033203366454374
Energy: -1.8319153089297595
Energy: 1.091272634108123
Energy: 1.098286658293005
Energy: 1.091272634108123
Energy: 1.0566232114355356
Energy: 1.1055982149709818
Energy: 1.101016418243887
Energy: 1.1055982149700685
Energy: 1.0560052255671784
Energy: 1.1037123831551479
Energy: 1.0128524050745424
Energy: 1.1037123831551479
Energy: 1.0097755071550785
Energy: 1.0377514813404678
Energy: 1.0609484811634073
Energy: 1.0377514813441215
Energy: 1.0123713227271884
Energy: 1.037310938354546
Energy: 0.9680385175570463
Energy: 1.037310938356373
Energy: 0.9921694135372964
Energy: 0.9905776017468195
Energy: 0.9955502336862201
Energy: 0.990577601747733
Energy: 1.0584329778128019
Energy: 1.037466223028993
Energy: 1.009665794582381
Energy: 1.037466223028993
Energy: 0.9961644133722615
Energy: 0.9971578233296357
Energy: 1.0325291201738394
Energy: 0.997157823328722
Energy: 0.9940129033551228
Energy: 0.992031745183636
Energy: 1.0061955518709604
Energy: 0.9920317451827224
Energy: 1.0199408545947353
Energy: 1.0381560288707539
Energy: 1.0123095847057089
Energy: 1.0381560288716674
Energy: 1.093367367090832
Energy: 1.0392379666820242
Energy: 1.0117462173743796
Energy: 1.0392379666801972
Energy: 1.0975458100117645
Energy: 1.1046771660685806
Energy: 1.1057863189541373
Energy: 1.1046771660685806
Energy: 1.0984686220159365
Energy: 1.1046404103902925
Energy: 1.0284820010222113
Energy: 1.1046404103921195
Energy: 1.103506792988562
Energy: 1.1050881562524606
Energy: 1.140587314811369
Energy: 1.1050881562524606
Energy: -1.615732427595094
Energy: 1.1056841422489798
Energy: 1.104506636390649
Energy: 1.1056841422489798
Energy: 1.0564971879767178
Energy: 1.1088658038381738
Energy: 1.0970574847174561
Energy: 1.1088658038372603
Energy: 1.0558628180172551
Energy: 1.1020998820800085
Energy: 1.0130682099064965
Energy: 1.1020998820800085
Energy: 1.0115002665743598
Energy: 1.037186379045543
Energy: 1.0610580355642916
Energy: 1.0371863790144857
Energy: 1.0089670606146715
Energy: 1.0391092351347646
Energy: 0.9678888584008918
Energy: 1.0391092351356779
Energy: 0.9851481311184555
Energy: 0.9899463428999224
Energy: 1.0000473362343927
Energy: 0.9899463428999224

minimum gb energy = -1.8319153089297595 eV
minimum distance =  2.18327210783145 Angstroms
sigma value = 25


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

Energy: 1.173198774322605
Energy: -0.9012580729609238
Energy: 1.1248125770247557
Energy: 1.0528375911382397
Energy: 1.0785413383450984
Energy: 1.1194734066096963
Energy: 1.0892082705336616
Energy: 1.1194734066107583
Energy: 1.0778527102499094
Energy: 1.072247656324796
Energy: 1.1101293082243753
Energy: 1.0722476563258578
Energy: 1.0776727254854899
Energy: 1.1204489140849727
Energy: 1.0891563126849195
Energy: 1.1204489140828489
Energy: 1.0999964903391404
Energy: 1.1217310151046
Energy: 1.0906238471396685
Energy: 1.121731015105662
Energy: 1.1438201757370985
Energy: 1.207011200156134
Energy: 1.0999608501444835
Energy: 1.207011200156134
Energy: 1.1457812035717065
Energy: 1.2059293183043789
Energy: 1.1483157031505733
Energy: 1.2059293183054407
Energy: 1.148643043652296
Energy: 1.2232066056956623
Energy: 1.170699149443643
Energy: 1.2232066056946003
Energy: 1.1445386090858756
Energy: 1.206823028010206
Energy: 1.1312710256934377
Energy: 1.206823028010206
Energy: 1.1718673267047048
Energy: 1.206248709702182
Energy: 1.1006388762364254
Energy: 1.2062487097032442
Energy: 1.0532548144228029
Energy: 1.1221024334136436
Energy: 1.0880706229100112
Energy: 1.1221024334147056
Energy: 1.0522200025206836
Energy: 1.1213850080084882
Energy: 1.0979670785344964
Energy: 1.1213850080095502
Energy: 1.076697295230558
Energy: 1.0705867679346062
Energy: 1.0712843314620868
Energy: 1.0705867679346062
Energy: 1.08894314119105
Energy: 1.0885327480844134
Energy: 1.1294642248102715
Energy: 1.0885327480854752
Energy: 1.1106948267289094
Energy: -0.8708136773204302
Energy: 1.0779804711526613
Energy: -0.8652068256660923
Energy: 1.0970289780785432
Energy: 1.0760890871273343
Energy: 1.0769976275008926
Energy: 1.0760890871283963
Energy: 1.0910594661490312
Energy: 1.1193556005383143
Energy: 1.1003033815523862
Energy: 1.1193556004035061
Energy: 1.090210910364295
Energy: 1.124059100066075
Energy: 1.144533916298921
Energy: 1.1240591000650129
Energy: 1.1484379955707031
Energy: 1.2058014095563998
Energy: 1.1457608318339578
Energy: 1.2058014095553378
Energy: 1.1725120612124407
Energy: 1.2059335187603224
Energy: 1.1436576041263102
Energy: 1.2059335187603224
Energy: 1.150660313982572
Energy: 1.215121374469858
Energy: 1.1437226422037965
Energy: 1.215121374471982
Energy: 1.1528235092522874
Energy: 1.2053498466149646
Energy: 1.1486378157963901
Energy: 1.205349846620274
Energy: 1.0918715200568532
Energy: 1.1221877284555168
Energy: 1.0527028786154207
Energy: 1.1221877284544548
Energy: 1.0986286761507564
Energy: 1.1229351574700608
Energy: 1.0529052045574232
Energy: 1.1229351574732465
Energy: 1.070389505675041
Energy: 1.070346959179161
Energy: 1.0765832583331254
Energy: 1.070346959179161

minimum gb energy = -0.9012580729609238 eV
minimum distance =  2.17044693419194 Angstroms
sigma value = 9


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

Energy: 1.2053773082551458
Energy: 0.2874888121807493
Energy: 1.1794045366262325
Energy: 1.1149182342139974
Energy: 1.116205081163504
Energy: 1.1178541981815575
Energy: 1.117138145337018
Energy: 1.117854198180291
Energy: 1.1122212146189638
Energy: 1.1142789275219427
Energy: 1.1344995407356684
Energy: 1.1142789275231804
Energy: 1.1146525842107535
Energy: 1.2200591432609595
Energy: 1.1168984892958698
Energy: 1.2200591432609595
Energy: 1.1273860321107483
Energy: 1.2168752055245282
Energy: 1.1183747743614665
Energy: 1.216875205530862
Energy: 1.1137132748329508
Energy: 1.3227469645246077
Energy: 1.1188175156312938
Energy: 1.3227469645246077
Energy: 1.1414581982678398
Energy: 1.3222587142692424
Energy: 1.1152414031299187
Energy: 1.3222587142692424
Energy: 1.1197756057706858
Energy: 1.2506929014961479
Energy: 1.1176754961378703
Energy: 1.250692901487281
Energy: 1.1147236962267377
Energy: 1.2180652736945734
Energy: 1.0963523359616991
Energy: 1.2180652736945734
Energy: 1.1180360461810734
Energy: 1.2189726228114757
Energy: 1.0956473663807698
Energy: 1.2189726228089421
Energy: 1.1116853212273514
Energy: 1.1152148372063397
Energy: 1.1157522566470806
Energy: 1.1152148372063397
Energy: 1.147049623031116
Energy: 1.118292743290389
Energy: 1.1167647940248833
Energy: 1.1182927433005228
Energy: 1.1175925464222016
Energy: 1.114114167027056
Energy: 1.1312538106343522
Energy: 1.114114167027056
Energy: 1.1169058977279143
Energy: 1.1144990827872707
Energy: 1.1299565168784333
Energy: 1.1144990827834704
Energy: 1.1273772439335237
Energy: 1.2171308873861715
Energy: 1.1178503873464964
Energy: 1.2171308873861715
Energy: 1.1138412384003784
Energy: 1.214588466989911
Energy: 1.1174720838533392
Energy: 1.214588466989911
Energy: 1.1418916650973598
Energy: 1.3330935507976878
Energy: 1.1145673189247356
Energy: 1.3330935507976878
Energy: 1.142420212757464
Energy: 1.321230171963888
Energy: 1.1180133373783638
Energy: 1.3212301719702213
Energy: 1.1532805228482923
Energy: 1.2085979766276824
Energy: 1.0959026162243108
Energy: 1.2085979766327493
Energy: 1.1179991604919008
Energy: 1.2160769875262012
Energy: 1.096483664642377
Energy: 1.2160769875262012
Energy: 1.1117587880317485
Energy: 1.115438443271141
Energy: 1.1228693085417811
Energy: 1.1154384432736744

minimum gb energy = 0.2874888121807493 eV
minimum distance =  2.16770802212938 Angstroms
sigma value = 25


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

Energy: 1.2116565763915448
Energy: 1.1769016284014966
Energy: 1.2580728013760878
Energy: 1.144707875440258
Energy: 1.1732527929380585
Energy: 1.2087384289853333
Energy: 1.1753105072545516
Energy: 1.2087384289853333
Energy: 1.1735579904646063
Energy: 1.1718583649433676
Energy: 1.184017958593214
Energy: 1.171858364941801
Energy: 1.1744457593500366
Energy: 1.2307574969014392
Energy: 1.1452646500933816
Energy: 1.2307574968998725
Energy: 1.1546178234637605
Energy: 1.3754813381028503
Energy: 1.1464024208392762
Energy: 1.3754813381028503
Energy: 1.1415818330568963
Energy: 1.1446331006940011
Energy: 1.1446272017573864
Energy: 1.1446331006955675
Energy: 1.1456679763604622
Energy: 1.1441628037167606
Energy: 1.1466121706926762
Energy: 1.1441628037167606
Energy: 1.150494291709262
Energy: 1.2326426698674837
Energy: 1.1475896401304824
Energy: 1.2326426698659172
Energy: 1.1721116391591258
Energy: 1.2083587162910872
Energy: 1.1991854739639647
Energy: 1.2083587162895206
Energy: 1.1750689956333553
Energy: 1.2090719833795254
Energy: 1.1998642965220017
Energy: 1.2090719833795254
Energy: 1.1828967379695792
Energy: 1.1723315951165745
Energy: 1.1734473882275458
Energy: 1.1723315951165745
Energy: 1.1858751051855712
Energy: 1.1721720380825216
Energy: 1.1732804028994361
Energy: 1.1721720380825216
Energy: 1.1451855735496455
Energy: 1.3415910684262589
Energy: 1.194446712660517
Energy: 1.3415910684262589
Energy: 1.1470577067899634
Energy: 1.144735825008213
Energy: 1.17427745293882
Energy: 1.1447358250066462
Energy: 1.1447533842687836
Energy: 1.1857931510262745
Energy: 1.1453285452725988
Energy: 1.185793151024708
Energy: 1.145198741071021
Energy: 1.2322205494434926
Energy: 1.1450244802236034
Energy: 1.2322205494450593
Energy: 1.198685209316889
Energy: 1.208407255096923
Energy: 1.2090815113073334
Energy: 1.208407255096923

minimum gb energy = 1.1415818330568963 eV
minimum distance =  2.22047068177537 Angstroms
sigma value = 17


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

Energy: 1.3251102698620956
Energy: 1.2427697726190117
Energy: 1.339727848886184
Energy: 1.2230395777471608
Energy: 1.2134943054593104
Energy: 1.2410012330079891
Energy: 1.2553883171284888
Energy: 1.2410012330088762
Energy: 1.1943874366828455
Energy: 1.194545824142863
Energy: 1.245193960698711
Energy: 1.194545824142863
Energy: 1.1949988518870962
Energy: 1.195014030382547
Energy: 1.2665409192954613
Energy: 1.195014030383434
Energy: 1.1953218653215996
Energy: 1.2211835741372983
Energy: 1.1767445789165025
Energy: 1.2211835741372983
Energy: 1.1957149712643793
Energy: 1.2251937388955838
Energy: 1.2000029928472509
Energy: 1.2251937388955838
Energy: 1.2237230326751827
Energy: 1.2118594297698855
Energy: 1.194546104282853
Energy: 1.2118594297964616
Energy: 1.26051438096731
Energy: 1.2535065888651462
Energy: 1.212496142487807
Energy: 1.2535065888651462
Energy: 1.2559443312676288
Energy: 1.2380316936321423
Energy: 1.251633668766427
Energy: 1.2380316936321423
Energy: 1.2372651165479007
Energy: 1.2540391153184607
Energy: 1.2645196806567218
Energy: 1.2540391153184607
Energy: 1.202372799360195
Energy: 1.168653152175455
Energy: 1.1696035809458354
Energy: 1.168653152175455
Energy: 1.2439156244921832
Energy: 1.1691591870470426
Energy: 1.1724878165994221
Energy: 1.1691591870461557
Energy: 1.227458231298281
Energy: 1.2220259408270617
Energy: 1.1677274787929566
Energy: 1.2220259408279488
Energy: 1.2202946568165718
Energy: 1.1695896773091112
Energy: 1.1700576684769097
Energy: 1.1695896773099983
Energy: 1.2516853393781053
Energy: 1.2542379925750609
Energy: 1.2659429738276395
Energy: 1.254237992575948
Energy: 1.255846424364682
Energy: 1.2541797497371592
Energy: 1.2669463406816022
Energy: 1.2541797497371592
Energy: 1.245843950864512
Energy: 1.2548657424151406
Energy: 1.217985647634841
Energy: 1.2548657424151406
Energy: 1.7092434656495534
Energy: 1.2553730295039125
Energy: 1.212922468927753
Energy: 1.2553730295047996
Energy: 1.1942780638430794
Energy: 1.2231735559565098
Energy: 1.194823528748364
Energy: 1.2231735559565098
Energy: 1.1693012556401743
Energy: 1.2172403430621723
Energy: 1.1987599227820063
Energy: 1.2172403430612853
Energy: 1.19379869941609
Energy: 1.1941703291764554
Energy: 1.267229708058255
Energy: 1.1941703291764554
Energy: 1.2133302690078998
Energy: 1.2131774091666916
Energy: 1.2248340988114257
Energy: 1.2131774091666916
Energy: 1.2646743462925185
Energy: 1.2535860011655662
Energy: 1.2608240266943396
Energy: 1.2535860011700022
Energy: 1.2513152560687884
Energy: 1.2390186831452479
Energy: 1.2397848252471906
Energy: 1.2390186831452479
Energy: 1.1683531780117435
Energy: 1.286395958077052
Energy: 1.239608484934455
Energy: 1.286395958077052
Energy: 1.1732639101753266
Energy: 1.1692431879977854
Energy: 1.2025299717246267
Energy: 1.1692431879977854
Energy: 1.1696052792226492
Energy: 1.1689160485979
Energy: 1.2190894720421541
Energy: 1.1689160485987873
Energy: 1.1741033957562421
Energy: 1.1698215536785515
Energy: 1.2202661691843257
Energy: 1.1698215536794385
Energy: 1.1698862195188817
Energy: 1.284759779233839
Energy: 1.2228765746560522
Energy: 1.2847597792329515
Energy: 1.2671522296442792
Energy: 1.2389517230941467
Energy: 1.2410038444023137
Energy: 1.2389517230932594

minimum gb energy = 1.1677274787929566 eV
minimum distance =  2.18352862339285 Angstroms
sigma value = 53


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

Energy: 2.147645967060039
Energy: 1.2318447904694643
Energy: 1.3775129861219362
Energy: 1.1564302590774551
Energy: 1.278229493879253
Energy: 1.3210499968878295
Energy: 1.237354356455725
Energy: 1.321049996889872
Energy: 1.283032901988571
Energy: 1.2837333825800086
Energy: 1.225010070940896
Energy: 1.2837333825779662
Energy: 1.282494089307489
Energy: 1.2792392610376708
Energy: 1.248370872817707
Energy: 1.2792392610376708
Energy: 1.273512159313025
Energy: 1.2685925963376987
Energy: 1.1594296885287905
Energy: 1.2685925963376987
Energy: 1.2597329836500653
Energy: 1.270896339586766
Energy: 1.1599097126403177
Energy: 1.2708963395888089
Energy: 1.2586925866046579
Energy: 1.1373228224585528
Energy: 1.2408830407035967
Energy: 1.1373228224687653
Energy: 1.2610187285812415
Energy: 1.278179902592383
Energy: 1.2360336682427446
Energy: 1.278179902592383
Energy: 1.3279194749690868
Energy: 1.273972397916885
Energy: 1.2170107245939092
Energy: 1.273972397916885
Energy: 1.271580064749357
Energy: 1.273618892421853
Energy: 1.236566749917014
Energy: 1.2736188924238958
Energy: 1.2809516810512727
Energy: 1.3059346247010675
Energy: 1.1585772456128176
Energy: 1.3059346247010675
Energy: 1.2811166634059954
Energy: 1.4408774960221438
Energy: 1.157551733727563
Energy: 1.4408774960262287
Energy: 1.3149335405077778
Energy: 1.309400202341897
Energy: 1.3122926545796523
Energy: 1.309400202341897

minimum gb energy = 1.1373228224585528 eV
minimum distance =  2.20480151442069 Angstroms
sigma value = 9


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

Energy: 1.309375208978906
Energy: 1.2584880473187665
Energy: 1.4011880252989786
Energy: 1.2415584405336937
Energy: 1.270866735272799
Energy: 1.28505985870457
Energy: 1.3443598929803822
Energy: 1.285059858709862
Energy: 1.182349116519961
Energy: 1.1816562336090355
Energy: 1.2539717483118797
Energy: 1.1816562336082796
Energy: 1.1825716949427056
Energy: 1.1814610655221807
Energy: 1.3511951170314196
Energy: 1.1814610655206683
Energy: 1.1853718852742252
Energy: 1.1853219379000741
Energy: 1.273583281865587
Energy: 1.1853219378985622
Energy: 1.2662553263095702
Energy: 1.2050836392207152
Energy: 1.2723696236505078
Energy: 1.2050836392207152
Energy: 1.3532459155319285
Energy: 1.2470881001720429
Energy: 1.343062930727577
Energy: 1.247088100172799
Energy: 1.3529341282728296
Energy: 1.246364247380204
Energy: 1.2486545112988625
Energy: 1.2463642473817158
Energy: 1.20875416216382
Energy: 1.2499952112858956
Energy: 1.2205318401762868
Energy: 1.2499952112889192
Energy: 1.1932986488779436
Energy: 1.2982978181961806
Energy: 1.2508230331789634
Energy: 1.298297818194669
Energy: 1.2253941505221309
Energy: 1.2255594073405254
Energy: 1.428524817131133
Energy: 1.2255594073405254
Energy: 1.3871205405678046
Energy: 1.2073700623409775
Energy: 1.268423836753217
Energy: 1.2073700623402215
Energy: 1.3473669306367013
Energy: 1.2266044872629782
Energy: 1.3848517034737724
Energy: 1.2266044872637343
Energy: 1.346801538341343
Energy: 1.206417797243002
Energy: 1.2092450225089817
Energy: 1.20641779724149
Energy: 1.2443406497716976
Energy: 1.2103566711187728
Energy: 1.2110713891329552
Energy: 1.210356671118017
Energy: 1.2453432171489234
Energy: 1.252803223619668
Energy: 1.211954713342446
Energy: 1.2528032236211801
Energy: 1.2503384322402258
Energy: 1.2491508531018456
Energy: 1.2113293091145907
Energy: 1.2491508531010893
Energy: 1.252904948949678
Energy: 1.2486330707963862
Energy: 1.2767070102740943
Energy: 1.2486330707994102
Energy: 1.3436131238050701
Energy: 1.2479730715650885
Energy: 1.3471451732389597
Energy: 1.2479730715650885
Energy: 1.2533791087255413
Energy: 1.181696602278913
Energy: 1.183589898577897
Energy: 1.1816966022804254
Energy: 1.3423770182544486
Energy: 1.1825130540477564
Energy: 1.1836680432059734
Energy: 1.1825130540492683
Energy: 1.272301101269747
Energy: 1.20654960932354
Energy: 1.1874528252504761
Energy: 1.20654960932354
Energy: 1.2737262790120762
Energy: 1.182138144329999
Energy: 1.2657195658450142
Energy: 1.182138144329999
Energy: 1.3426588722317911
Energy: 1.2472743294418385
Energy: 1.3532668541593729
Energy: 1.2472743294395707
Energy: 1.2489443711926673
Energy: 1.246390770316238
Energy: 1.3529197703759632
Energy: 1.2463907703177497
Energy: 1.2187795944363942
Energy: 1.2501206806425271
Energy: 1.2092454575205953
Energy: 1.2501206806410152
Energy: 1.2516439030197448
Energy: 1.2989190403253352
Energy: 1.3392814935476438
Energy: 1.2989190403253352
Energy: 1.4272603563927526
Energy: 1.2259332194079846
Energy: 1.2177868388378594
Energy: 1.2259332194079846
Energy: 1.2690741648042636
Energy: 1.2080287055092116
Energy: 1.304311543367116
Energy: 1.2080287055129917
Energy: 1.3860643044644372
Energy: 1.2263375310601752
Energy: 1.3519602254500587
Energy: 1.226337531060931
Energy: 1.2087003478536542
Energy: 1.207256976757573
Energy: 1.2577046858617615
Energy: 1.207256976757573
Energy: 1.2104972947010237
Energy: 1.2097014685051468
Energy: 1.2455972543552938
Energy: 1.209701468506659
Energy: 1.2125164006352782
Energy: 1.251626208814774
Energy: 1.2442247203924737
Energy: 1.251626208812506
Energy: 1.2110767880999869
Energy: 1.2538755532926302
Energy: 1.2376758696668593
Energy: 1.2538755532918744
Energy: 1.276189871682387
Energy: 1.2478119068208364
Energy: 1.2514208365380932
Energy: 1.2478119068215923

minimum gb energy = 1.1814610655206683 eV
minimum distance =  2.20975071568014 Angstroms
sigma value = 73


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

Energy: 1.3667875909628635
Energy: 1.1678785515092494
Energy: 1.3531762741920679
Energy: 1.1746207532317763
Energy: 1.2819768099612385
Energy: 1.221324828200894
Energy: 1.3145501752069115
Energy: 1.221324828212888
Energy: 1.1521284700522252
Energy: 1.3617658698025703
Energy: 1.2081060699711905
Energy: 1.3617658698013708
Energy: 1.1511200565904096
Energy: 1.1453183974446481
Energy: 1.2010147521036008
Energy: 1.1453183974446481
Energy: 1.1495793795631046
Energy: 1.1488078222631224
Energy: 1.262136368615053
Energy: 1.1488078222631224
Energy: 1.2119927877080017
Energy: 1.2526985284080796
Energy: 1.2613866735472523
Energy: 1.2526985284068803
Energy: 1.3933460514962406
Energy: 1.2188563580818568
Energy: 1.2763195280555808
Energy: 1.2188563580818568
Energy: 1.3937548570543354
Energy: 1.228338245627743
Energy: 1.232720787710718
Energy: 1.2283382456289422
Energy: 1.2157792704264718
Energy: 1.2190333764815964
Energy: 1.2196233241296552
Energy: 1.2190333764815964
Energy: 1.169109370778497
Energy: 1.4533059228424738
Energy: 1.2206596833255638
Energy: 1.4533059228424738
Energy: 1.2143754395675503
Energy: 1.1352905442135617
Energy: 1.3157406808615109
Energy: 1.1352905442135617
Energy: 1.2242328614365128
Energy: 1.1447910802500814
Energy: 1.2224447628275052
Energy: 1.1447910802500814
Energy: 1.208682025845801
Energy: 1.35583122395195
Energy: 1.3761955168780267
Energy: 1.35583122395195
Energy: 1.2076355130969836
Energy: 1.185050901218905
Energy: 1.1860398751334527
Energy: 1.185050901218905
Energy: 1.28469979082871
Energy: 1.188284188909363
Energy: 1.1882876147872643
Energy: 1.188284188909363
Energy: 1.2629922142450731
Energy: 1.1868509935629357
Energy: 1.1883647757190898
Energy: 1.1868509935629357
Energy: 1.2587919236924439
Energy: 1.2898676195639724
Energy: 1.2390381939206827
Energy: 1.2898676195639724
Energy: 1.2339605026441245
Energy: 1.1814426790593522
Energy: 1.3919338429071935
Energy: 1.1814426790593522
Energy: 1.1770599926368528
Energy: 1.1931828798214517
Energy: 1.393015797669041
Energy: 1.1931828798202524
Energy: 1.1803467321967527
Energy: 1.178491069767912
Energy: 1.1695208392175318
Energy: 1.1784910697691113
Energy: 1.1808306753772975
Energy: 1.3614535692648906
Energy: 1.171271743909554
Energy: 1.3614535692756853
Energy: 1.311900113592922
Energy: 1.171137073690925
Energy: 1.1563792077088595
Energy: 1.171137073690925

minimum gb energy = 1.1352905442135617 eV
minimum distance =  2.20452382366438 Angstroms
sigma value = 7


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

Energy: 1.403470929813899
Energy: 1.1714701166468142
Energy: 1.3934084224762837
Energy: 1.1499877613457854
Energy: 1.2468230530334985
Energy: 1.1706834951079477
Energy: 1.2833635729092254
Energy: 1.1706834951079477
Energy: 1.166475810652277
Energy: 1.160780708895961
Energy: 1.178643168126154
Energy: 1.160780708895961
Energy: 1.1687919634509814
Energy: 1.1615706509640602
Energy: 1.3161283578723613
Energy: 1.1615706509640602
Energy: 1.164441316490457
Energy: 1.1612421218149793
Energy: 1.2164668635297213
Energy: 1.1612421218166755
Energy: 1.357395151523045
Energy: 1.1625920408981871
Energy: 1.2241058578232673
Energy: 1.1625920408973391
Energy: 1.2919604185643623
Energy: 1.1610122636931617
Energy: 1.3563605305702926
Energy: 1.1610122636931617
Energy: 1.3276529915804014
Energy: 1.177582871691815
Energy: 1.1630879798925327
Energy: 1.177582871691815
Energy: 1.2882899475310345
Energy: 1.18779635854998
Energy: 1.1697868877264068
Energy: 1.18779635854998
Energy: 1.2059501619358415
Energy: 1.2445424500143598
Energy: 1.1601581415759348
Energy: 1.2445424500152078
Energy: 1.2847749160975905
Energy: 1.1697552051155335
Energy: 1.290664041319418
Energy: 1.1697552051163818
Energy: 1.1787457825297427
Energy: 1.1722800084083176
Energy: 1.329716216746668
Energy: 1.1722800084091656
Energy: 1.176847563408317
Energy: 1.1703386109693827
Energy: 1.2458255156673743
Energy: 1.1703386109685348
Energy: 1.179055845168042
Energy: 1.191412365835718
Energy: 1.1540790781302557
Energy: 1.191412365835718
Energy: 1.1717007173764087
Energy: 1.1698885526984162
Energy: 1.1513286573995791
Energy: 1.1698885526959104
Energy: 1.3720674271204967
Energy: 1.1707854962056978
Energy: 1.1790421107242632
Energy: 1.1707854962056978
Energy: 1.4403571213491257
Energy: 1.169582778442023
Energy: 1.2825777251808221
Energy: 1.169582778442023
Energy: 1.1647412739266032
Energy: 1.2452564706469724
Energy: 1.1790306720413648
Energy: 1.2452564706503646
Energy: 1.1716053530255004
Energy: 1.1771772853439022
Energy: 1.3176630089936818
Energy: 1.1771772853489522
Energy: 1.1757502519259426
Energy: 1.1780516026485193
Energy: 1.401940587524693
Energy: 1.1780516026485193
Energy: 1.3593668862179975
Energy: 1.161435321337532
Energy: 1.2165213109763884
Energy: 1.161435321337532
Energy: 1.3217983114577037
Energy: 1.16234190766163
Energy: 1.3555936306459193
Energy: 1.16234190766163
Energy: 1.323984102874211
Energy: 1.1612717650496793
Energy: 1.1622420436741145
Energy: 1.1612717650462867
Energy: 1.3164344919657056
Energy: 1.162041239169701
Energy: 1.1671353467505443
Energy: 1.1620412391680048
Energy: 1.205361934579501
Energy: 1.1678106761218199
Energy: 1.1653139668057935
Energy: 1.167810676120972
Energy: 1.2114404479662757
Energy: 1.25851752800578
Energy: 1.2479716636860962
Energy: 1.25851752800578
Energy: 1.180052464866725
Energy: 1.1721900937993077
Energy: 1.3534120683878792
Energy: 1.1721900938001557
Energy: 1.1700948342156696
Energy: 1.1716968075884782
Energy: 1.2479244560520866
Energy: 1.1716968075884782
Energy: 1.1682490581601939
Energy: 1.1819253943103643
Energy: 1.178121480052932
Energy: 1.1819253943095163
Energy: 1.167884816036857
Energy: 1.1739948713904564
Energy: 1.1541672296155838
Energy: 1.1739948713896085
Energy: 1.4335909624491683
Energy: 1.1688520021423112
Energy: 1.1728590799446625
Energy: 1.1688520021406152

minimum gb energy = 1.1499877613457854 eV
minimum distance =  2.20847687605282 Angstroms
sigma value = 29


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

Energy: 1.3396033145691317
Energy: 1.119060939104445
Energy: 1.0503130383614043
Energy: 1.0746145293059075
Energy: 1.0771384570772051
Energy: 1.1159353968209273
Energy: 1.048312805679314
Energy: 1.115935396821223
Energy: 1.0552547042697635
Energy: 1.1110270926291208
Energy: 1.0666720719181009
Energy: 1.1110270926288255
Energy: 1.0592402449152225
Energy: 1.05418649385674
Energy: 1.0573233919894651
Energy: 1.054186493856445
Energy: 1.0568070458234482
Energy: 1.0528238791758897
Energy: 1.0637016415028715
Energy: 1.0528238791741498
Energy: 1.0580998129089287
Energy: 1.111491017608254
Energy: 1.058697996457172
Energy: 1.1114910176091402
Energy: 1.068051317400074
Energy: 1.1107908026185005
Energy: 1.0511132417430658
Energy: 1.1107908026187958
Energy: 1.0481291375671762
Energy: 1.0541181352483373
Energy: 1.059220884009561
Energy: 1.0541181352483373
Energy: 1.058985769115293
Energy: 1.0514824153516027
Energy: 1.0503456499633554
Energy: 1.0514824153516027

minimum gb energy = 1.0481291375671762 eV
minimum distance =  2.22441403041191 Angstroms
sigma value = 5


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

Energy: 1.4166382034869378
Energy: 1.0733897917755628
Energy: 1.3695157208925157
Energy: 1.0632045326602553
Energy: 1.2945119878143134
Energy: 1.3071358813936664
Energy: 1.2821557708394191
Energy: 1.3071358813944676
Energy: 1.2935454143209983
Energy: 1.141937691460439
Energy: 1.2884352147123144
Energy: 1.1419376914612402
Energy: 1.20090579527863
Energy: 1.3067227190593567
Energy: 1.2978971542336069
Energy: 1.306722719060158
Energy: 1.2986067091212612
Energy: 1.0709920152986143
Energy: 1.2218709420945861
Energy: 1.0709920153002166
Energy: 1.075849214610416
Energy: 1.0704062773867764
Energy: 1.2226741691171954
Energy: 1.0704062773859753
Energy: 1.0745117736584728
Energy: 1.0713841228117478
Energy: 1.3823689165470368
Energy: 1.07138412281335
Energy: 1.07281674632477
Energy: 1.0709496080918348
Energy: 1.381545932064722
Energy: 1.0709496080910337
Energy: 1.2814286209092933
Energy: 1.2183922347305
Energy: 1.379102118236348
Energy: 1.2183922347313012
Energy: 1.39786267501866
Energy: 1.0634012889013267
Energy: 1.0680224771596096
Energy: 1.0634012888997242
Energy: 1.4588705274196998
Energy: 1.0679232731649164
Energy: 1.0690552369532371
Energy: 1.0679232731657176
Energy: 1.3881293383634832
Energy: 1.0626996753108038
Energy: 1.064132209949718
Energy: 1.062699675311605
Energy: 1.4013693981307225
Energy: 1.0634941979906642
Energy: 1.365891877305566
Energy: 1.0634941979898629
Energy: 1.4563171103181571
Energy: 1.2284065862855515
Energy: 1.3850596542655493
Energy: 1.2284065862863525
Energy: 1.1507511148773872
Energy: 1.1972743582411958
Energy: 1.3823156575665958
Energy: 1.197274358241997
Energy: 1.1529659706559898
Energy: 1.0516858369134714
Energy: 1.3631671378171117
Energy: 1.0516858369142725
Energy: 1.1475418493030474
Energy: 1.0467671639183922
Energy: 1.120721295397821
Energy: 1.046767163917591
Energy: 1.3639239766738374
Energy: 1.0505956259062816
Energy: 1.3616512143488249
Energy: 1.0505956259062816
Energy: 1.363955907159231
Energy: 1.2422983676407588
Energy: 1.1892423589963912
Energy: 1.2422983676423611
Energy: 1.3621517430851648
Energy: 1.2403961995179016
Energy: 1.2027283113027638
Energy: 1.2403961995187027
Energy: 1.2424789580649755
Energy: 1.0933177288177667
Energy: 1.1914324125588869
Energy: 1.0933177288177667
Energy: 1.2229787045739609
Energy: 1.0917954230849116
Energy: 1.0961435142970073
Energy: 1.0917954230857128
Energy: 1.481430402232584
Energy: 1.0911967116265318
Energy: 1.0958139664902224
Energy: 1.0911967116265318
Energy: 1.3807912151430004
Energy: 1.092773270556667
Energy: 1.093652858258291
Energy: 1.0927732705574682
Energy: 1.3802707206370353
Energy: 1.317616146009206
Energy: 1.190500477015485
Energy: 1.3176161460084046
Energy: 1.046633842971524
Energy: 1.196792138435535
Energy: 1.398023659547731
Energy: 1.1967921384339326
Energy: 1.0493571882484745
Energy: 1.0449518871884835
Energy: 1.2737420703683866
Energy: 1.0449518871860803
Energy: 1.0465915675181132
Energy: 1.0440185582976511
Energy: 1.1905583938306281
Energy: 1.0440185582976511
Energy: 1.1528716518046744
Energy: 1.0431237455568374
Energy: 1.4031912066616195
Energy: 1.0431237455560363
Energy: 1.3834270847567436
Energy: 1.2946487208104112
Energy: 1.2778290038330316
Energy: 1.2946487208104112
Energy: 1.3838956572054517
Energy: 1.0715606083373659
Energy: 1.0719788029371815
Energy: 1.0715606083365647
Energy: 1.467646389225444
Energy: 1.0706578382451706
Energy: 1.0698058042059566
Energy: 1.0706578382458989
Energy: 1.2053069113097743
Energy: 1.06977996370361
Energy: 1.0754166603700637
Energy: 1.069779963702809

minimum gb energy = 1.0431237455560363 eV
minimum distance =  2.197527907152 Angstroms
sigma value = 1


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

Energy: 1.8874583954587143
Energy: 0.978244480438708
Energy: 1.2955230764702481
Energy: 0.9545350112875309
Energy: 1.2793235018443332
Energy: 0.9811401355172966
Energy: 1.2899054518531567
Energy: 0.9811401355172966
Energy: 1.2933123778203628
Energy: 1.0747628259286088
Energy: 1.2920131604111427
Energy: 1.0747628259286088
Energy: 1.0365852879485815
Energy: 1.292140953947331
Energy: 1.3074999678290922
Energy: 1.292140953950654
Energy: 1.2894380945800548
Energy: 0.9759047849457868
Energy: 1.3135060439745112
Energy: 0.9759047849457868
Energy: 0.976655534141316
Energy: 0.9755330016750385
Energy: 1.312817137496215
Energy: 0.9755330016750385
Energy: 0.9737480346938703
Energy: 0.9859499073092959
Energy: 1.291953107222812
Energy: 0.9859499073092959
Energy: 0.9763966978925342
Energy: 0.9756318453419486
Energy: 1.5656541223962348
Energy: 0.9756318453408408
Energy: 1.292647249120674
Energy: 0.9997082219053018
Energy: 1.561520801003329
Energy: 0.9997082219053018
Energy: 1.3115739488844593
Energy: 0.9874743029738877
Energy: 0.9796541638538006
Energy: 0.9874743029738877
Energy: 1.2879403138372316
Energy: 0.9842618347520259
Energy: 0.9752188994811204
Energy: 0.9842618347531334
Energy: 1.5724098262975457
Energy: 0.9715000921811088
Energy: 0.9733939259481755
Energy: 0.9715000921822164
Energy: 1.575681016332423
Energy: 0.9764850166201197
Energy: 1.2949647011605097
Energy: 0.9764850166212274
Energy: 1.2923204586500658
Energy: 1.2762939869717205
Energy: 1.289684518690996
Energy: 1.276293986980582
Energy: 1.0398588811880503
Energy: 1.074459997776793
Energy: 1.2827354296595435
Energy: 1.074459997776793
Energy: 1.0384124897178757
Energy: 0.9854893868780282
Energy: 1.2861341673288873
Energy: 0.985489386879136
Energy: 0.976802848311835
Energy: 0.975420488276093
Energy: 1.3148661191468405
Energy: 0.975420488276093
Energy: 0.9694524012894031
Energy: 0.9858827662388062
Energy: 1.3006163094524483
Energy: 0.9858827662388062
Energy: 0.9739942393614385
Energy: 0.9823634687448503
Energy: 1.562012861183526
Energy: 0.9823634687437426
Energy: 0.9844158434238203
Energy: 0.978632089047086
Energy: 1.5640049368666002
Energy: 0.978632089047086
Energy: 1.3103979498286156
Energy: 0.9940032410281227
Energy: 1.2946533793068782
Energy: 0.9940032410292303
Energy: 1.3113833939819952
Energy: 0.9778842959152473
Energy: 0.9734655446636822
Energy: 0.9778842959163552
Energy: 1.2901843226597338
Energy: 0.96429645833703
Energy: 0.9733930373802735
Energy: 0.964296458329276
Energy: 1.5757866798995261
Energy: 0.9770955582405237
Energy: 0.9763321142821121
Energy: 0.9770955582416315

minimum gb energy = 0.9545350112875309 eV
minimum distance =  2.21470379470586 Angstroms
sigma value = 17


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

Energy: 2.0232724985608073
Energy: 0.9964427343024703
Energy: 1.3469090825446188
Energy: 1.0053771435916043
Energy: 1.5096691265428788
Energy: 0.9979675619082569
Energy: 1.1785369226685845
Energy: 0.9979675619082569
Energy: 1.338546909155428
Energy: 1.2407488349654345
Energy: 1.1840986250484278
Energy: 1.24074883496475
Energy: 1.341527385570564
Energy: 1.030360485406841
Energy: 1.1819016364123234
Energy: 1.0303604854075257
Energy: 1.3690344623324988
Energy: 0.971501544025874
Energy: 1.518279050651173
Energy: 0.9715015440251893
Energy: 0.97372135022805
Energy: 0.9717738956884496
Energy: 1.514537933950847
Energy: 0.9717738956877648
Energy: 0.989757280582636
Energy: 0.9869112084430032
Energy: 1.528862147900649
Energy: 0.9869112084443723
Energy: 0.9755633738575403
Energy: 0.974001629730905
Energy: 1.6898493272840942
Energy: 0.9740016297315895
Energy: 1.5077826691106602
Energy: 0.9870759744527898
Energy: 1.3370925130595734
Energy: 0.9870759744534744
Energy: 1.1888136205592286
Energy: 1.0312946892351325
Energy: 1.1818821424649342
Energy: 1.031294689237871
Energy: 1.5091202531927217
Energy: 0.998588917468716
Energy: 1.0278553378057045
Energy: 0.9985889174707699
Energy: 1.5177950437022367
Energy: 0.9980018102709861
Energy: 1.183484488306019
Energy: 0.9980018102730401
Energy: 1.5212363639089093
Energy: 0.9938047186182944
Energy: 0.9966943410246447
Energy: 0.9938047186162404
Energy: 1.5304983380878456
Energy: 0.9971687652721809
Energy: 0.9967989422082563
Energy: 0.9971687652735504
Energy: 1.3440096482283115
Energy: 0.9944243362391161
Energy: 0.9973928069289941
Energy: 0.9944243362384313
Energy: 1.6821399187801678
Energy: 0.9978362869776778
Energy: 1.3793212945817426
Energy: 0.9978362869776778
Energy: 1.0002307716770389
Energy: 0.9986184268303797
Energy: 1.51609332175416
Energy: 0.998618426833803
Energy: 1.0130418997312374
Energy: 1.010594676927059
Energy: 1.5115222453474393
Energy: 1.0105946769243204
Energy: 0.9977132137193289
Energy: 0.9963968720701432
Energy: 1.341070820791938
Energy: 0.9963968720715124
Energy: 1.1973642497427055
Energy: 1.0105659528513664
Energy: 1.6925797418964814
Energy: 1.010565952852051
Energy: 1.179933283955266
Energy: 0.9984257400424181
Energy: 1.5095925131357701
Energy: 0.9984257400389948
Energy: 1.1811840853074422
Energy: 1.2399795628440597
Energy: 1.3396002887836407
Energy: 1.2399795628447445
Energy: 1.1815208499860501
Energy: 1.0298372460023588
Energy: 1.341296136345129
Energy: 1.0298372460030436
Energy: 1.518463566972122
Energy: 0.9719400454490464
Energy: 1.1553127343038574
Energy: 0.9719400454497312
Energy: 1.5137303560514819
Energy: 0.9748823148418833
Energy: 0.9749643901851591
Energy: 0.9748823148432527
Energy: 1.1794606988776613
Energy: 0.9866793083785088
Energy: 0.988605159801865
Energy: 0.9866793083778241
Energy: 1.689818452369892
Energy: 0.9898055469293766
Energy: 0.9891570272076562
Energy: 0.989805546930746
Energy: 1.3694121579398024
Energy: 1.0359783585359936
Energy: 1.507242055726008
Energy: 1.0359783585359936
Energy: 1.1816283877655605
Energy: 1.2393155258994082
Energy: 1.1885117525264566
Energy: 1.2393155258953001
Energy: 1.0274820583056714
Energy: 0.9994622898141817
Energy: 1.511140938639601
Energy: 0.9994622898141817
Energy: 1.1823523431504461
Energy: 0.9955416556450197
Energy: 1.5184076546307876
Energy: 0.9955416556443349
Energy: 0.9993914775988052
Energy: 0.9944444527234837
Energy: 1.519635813066112
Energy: 0.9944444527248529
Energy: 0.9981439169742667
Energy: 1.014245502036071
Energy: 1.53001298637987
Energy: 1.014245502038125
Energy: 0.9983748422517822
Energy: 0.9970687787431713
Energy: 1.3466031503749876
Energy: 0.9970687787424867
Energy: 1.3874516547620899
Energy: 0.9975556244452759
Energy: 1.6806769373632322
Energy: 0.9975556244452759
Energy: 1.5164030361172458
Energy: 0.9980003488411832
Energy: 0.9989249790022612
Energy: 0.9980003488432372
Energy: 1.510227054067784
Energy: 1.0113459875989692
Energy: 1.0138334719533044
Energy: 1.0113459876003388
Energy: 1.3424052044356214
Energy: 0.9975297777031672
Energy: 0.9984582591451682
Energy: 0.9975297777031672

minimum gb energy = 0.9715015440251893 eV
minimum distance =  2.21764349937492 Angstroms
sigma value = 89


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

Energy: 2.4618309094654114
Energy: 0.86972373691935
Energy: 1.2244237926896309
Energy: 0.8620483468299704
Energy: 1.8030698998321284
Energy: 0.9604937519674417
Energy: 1.3335724796039135
Energy: 0.9604937517041847
Energy: 1.1300322693444609
Energy: 0.9412402163263169
Energy: 1.3446481143360247
Energy: 0.9412402163263169
Energy: 1.1545035993035837
Energy: 0.9608400950161506
Energy: 0.858042736602735
Energy: 0.9608400949445346
Energy: 1.3674104998557512
Energy: 0.8950458872121765
Energy: 1.5888291007201076
Energy: 0.8950458872068022
Energy: 1.1133556997822043
Energy: 0.9013882004242396
Energy: 1.5921564814242835
Energy: 0.9013882004260311
Energy: 1.1581832662071696
Energy: 0.9352698103892298
Energy: 0.8553671686919919
Energy: 0.9352698103874383
Energy: 1.106766776301496
Energy: 0.8673152921149062
Energy: 1.7632576909199347
Energy: 0.8673152921131148
Energy: 1.5537625443391456
Energy: 0.9268325795034921
Energy: 1.7540313287636804
Energy: 0.9268325795106169
Energy: 1.5503706434661626
Energy: 1.2032880628434819
Energy: 0.8704004054055874
Energy: 1.2032880628470648
Energy: 1.1119391856654346
Energy: 0.9982448154526536
Energy: 1.2448661516757584
Energy: 0.9982448154544451
Energy: 1.5989716790830126
Energy: 0.8285142573948239
Energy: 0.8518339224278215
Energy: 0.8285142581522272
Energy: 1.5800224884569243
Energy: 0.9240336188512518
Energy: 0.9200626144991967
Energy: 0.9240336188548347
Energy: 1.3504703933075572
Energy: 0.905033490108789
Energy: 0.894704020176491
Energy: 0.905033490121329
Energy: 1.5786479326249827
Energy: 0.9288151054626858
Energy: 0.8906529226775661
Energy: 0.9288151054644771

minimum gb energy = 0.8285142573948239 eV
minimum distance =  2.21870193423637 Angstroms
sigma value = 13


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

Energy: 2.0057653028438267
Energy: 0.8761771058922792
Energy: 1.2392502484516337
Energy: 0.8692561468505948
Energy: 1.433625330487307
Energy: 0.8547717326825454
Energy: 1.0505873033930908
Energy: 0.8547717326855488
Energy: 1.7098433165142413
Energy: 0.8771867405893573
Energy: 1.0626131564564647
Energy: 0.877186740590108
Energy: 1.3477053700287522
Energy: 0.8527664481659951
Energy: 1.2631425634390019
Energy: 0.8527664481682476
Energy: 1.2815841385273412
Energy: 1.0134914874082452
Energy: 1.52868746506569
Energy: 1.0134914874089962
Energy: 1.0566856349861913
Energy: 0.8614857606315808
Energy: 1.5278041358462244
Energy: 0.8614857606330826
Energy: 1.0608763460823207
Energy: 0.8803637583456237
Energy: 1.283427462564706
Energy: 0.880363758344873
Energy: 1.0869271130491367
Energy: 0.880590880982141
Energy: 1.908267145220812
Energy: 0.8805908809798885
Energy: 0.8615518168275168
Energy: 0.8594494584572895
Energy: 1.7089476019787613
Energy: 0.8594494584557878
Energy: 0.8837598370886603
Energy: 0.8797351265407399
Energy: 1.370379950215076
Energy: 0.8797351265384874
Energy: 0.8604036206549862
Energy: 0.9774266130187388
Energy: 1.9979806438000893
Energy: 0.9774266130179879
Energy: 1.4253435720871275
Energy: 1.0221829256999702
Energy: 1.365255242370235
Energy: 1.0221829256992192
Energy: 1.4260888404650816
Energy: 1.0203851380008004
Energy: 1.4307910178617556
Energy: 1.0203851380000495
Energy: 1.2938127234871044
Energy: 1.0195410903221158
Energy: 1.3406264020377723
Energy: 1.0195410903236175
Energy: 1.9026801484980116
Energy: 0.8655106328796924
Energy: 1.2929679703218826
Energy: 0.8655106328789415
Energy: 1.902056754312435
Energy: 0.8627836822721744
Energy: 0.9572469362859773
Energy: 0.8627836822736761
Energy: 1.4512714550669705
Energy: 0.8642500473028
Energy: 0.9570955289430262
Energy: 0.8642500473035508
Energy: 1.6252227726749293
Energy: 0.8650399612495434
Energy: 0.967329338278128
Energy: 0.8650399612495434
Energy: 1.99489034023945
Energy: 0.8631629866827399
Energy: 1.146574004239876
Energy: 0.8631629866834909
Energy: 1.6132499607636623
Energy: 0.8650371484640967
Energy: 1.1466112576566991
Energy: 0.8650371484633459
Energy: 1.5072358388262983
Energy: 0.8641408973304247
Energy: 1.1436033066187903
Energy: 0.8641408973311755
Energy: 1.612976418311452
Energy: 1.004253106636827
Energy: 1.5269189013968427
Energy: 1.0042531066383285
Energy: 1.0500778389161625
Energy: 1.0029288864113914
Energy: 1.525516243087563
Energy: 1.0029288864106407
Energy: 0.9546030567503224
Energy: 1.02253802793756
Energy: 1.2784591256357536
Energy: 1.022538027938311
Energy: 0.99923039783047
Energy: 0.879964089165529
Energy: 1.906325015830769
Energy: 0.879964089165529
Energy: 0.8695850409058808
Energy: 0.8573347004997225
Energy: 1.9059870780693595
Energy: 0.8573347004989716
Energy: 0.8815583547671907
Energy: 0.8790079348731764
Energy: 1.2675089840340248
Energy: 0.8790079348731764
Energy: 0.8664100168181186
Energy: 0.8608815964120942
Energy: 1.7166895388639412
Energy: 0.8608815964113433
Energy: 1.438218717522928
Energy: 0.8790786745404885
Energy: 1.8892231685747625
Energy: 0.8790786745397376
Energy: 1.153668399524925
Energy: 0.9015365099713224
Energy: 1.42811391052097
Energy: 0.9015365099713224
Energy: 1.4374804318447145
Energy: 1.1432958897402057
Energy: 1.4980738429320282
Energy: 1.1432958898625258
Energy: 1.9012524149960195
Energy: 0.8502214330957514
Energy: 1.4268144104926683
Energy: 0.8502214330950005
Energy: 1.9033700763585666
Energy: 0.8488042112985348
Energy: 0.8589200822703419
Energy: 0.8488042113060432
Energy: 1.2845156481737847
Energy: 0.8752315710863309
Energy: 0.8751052351685341
Energy: 0.87523157108558
Energy: 1.9053743730606136
Energy: 0.8782563796161307
Energy: 0.8791280132113211
Energy: 0.8782563796123765

minimum gb energy = 0.8488042112985348 eV
minimum distance =  2.22683932348422 Angstroms
sigma value = 37


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

Energy: 1.6283379296238842
Energy: 0.6924642218067817
Energy: 0.6915197101662859
Energy: 0.7127671092822403
Energy: 1.4052870676635119
Energy: 0.7287447385952192
Energy: 1.0545488721838923
Energy: 0.7287447385939273
Energy: 1.4423640081659543
Energy: 1.054869728656381
Energy: 1.0544481774169574
Energy: 1.0548697286525055
Energy: 1.4392441229777555
Energy: 0.7627334594226919
Energy: 1.421793448310711
Energy: 0.7627334579132412
Energy: 1.4199525205153123
Energy: 0.7841022623445938
Energy: 1.0949480108056908
Energy: 0.7841022623445938
Energy: 0.7185930574166112
Energy: 0.7179324383568563
Energy: 1.5800827316763242
Energy: 0.71793243834523
Energy: 0.7315147189896005
Energy: 0.7435575145578041
Energy: 1.4196995053312453
Energy: 0.7435575145578041
Energy: 1.0678827356080287
Energy: 0.6760871045694213
Energy: 1.7679732218743147
Energy: 0.6760871045810477
Energy: 0.6977946754889118
Energy: 0.709721032998389
Energy: 1.7643723420523891
Energy: 0.709721032998389
Energy: 0.7164951641049315
Energy: 0.6907221623318938
Energy: 1.3951052736028273
Energy: 0.6907221617934732
Energy: 0.6915196860369464
Energy: 0.7127671092822403
Energy: 1.6283379296238842
Energy: 0.6924687029774748
Energy: 1.0545488721826004
Energy: 0.7287447385952192
Energy: 1.4052866201015424
Energy: 0.7287447385952192
Energy: 1.0544481774156658
Energy: 1.0548697286512136
Energy: 1.4423640081659543
Energy: 1.0548697286512136
Energy: 1.421793448310711
Energy: 0.7627334583458214
Energy: 1.4392441229777555
Energy: 0.7627334595053384
Energy: 1.0949480108095666
Energy: 0.7841022623445938
Energy: 1.4199525205140207
Energy: 0.7841022623445938
Energy: 1.753490185140619
Energy: 0.7179324383774958
Energy: 0.7185930574166112
Energy: 0.7179324383633153
Energy: 1.4196995053286618
Energy: 0.7435575145590959
Energy: 0.7315147189896005
Energy: 0.7435575145590959
Energy: 1.7679732218730229
Energy: 0.6760871045758803
Energy: 1.0678827356170713
Energy: 0.6760871045758803
Energy: 1.7643723420510973
Energy: 0.709721032998389
Energy: 0.6977946754979252
Energy: 0.709721032998389
Energy: 1.4420981772599566
Energy: 0.6907221615326157
Energy: 0.7164951641113612
Energy: 0.6907221623706481

minimum gb energy = 0.6760871045694213 eV
minimum distance =  2.23812303508515 Angstroms
sigma value = 25


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

Energy: 1.9571984987366766
Energy: 0.6266064159623865
Energy: 0.6259691659609595
Energy: 0.6359161236406361
Energy: 1.7371177906774924
Energy: 0.6499063054314154
Energy: 0.9165290894184329
Energy: 0.6499063054314154
Energy: 1.7501039250266681
Energy: 0.6523150645151697
Energy: 0.9085808205451225
Energy: 0.6523150645141611
Energy: 1.212301953951356
Energy: 0.6322229020773166
Energy: 1.1891435410822917
Energy: 0.6322229020732815
Energy: 1.7386378344819478
Energy: 0.6991737518284736
Energy: 1.4627658429404862
Energy: 0.6991737518284736
Energy: 1.1933902888138475
Energy: 0.6982427731097506
Energy: 1.4660797828145884
Energy: 0.6982427731127768
Energy: 1.1861137022237744
Energy: 0.6988244558755379
Energy: 1.7376229880909528
Energy: 0.698824455874529
Energy: 1.4577141557887032
Energy: 0.6344068902537793
Energy: 1.4734599166074278
Energy: 0.6344068902608405
Energy: 0.9102864071506275
Energy: 0.6534093574907915
Energy: 1.9869372016737918
Energy: 0.6534093574918004
Energy: 0.9106771527399128
Energy: 0.6503655927340741
Energy: 1.7376028308391525
Energy: 0.6503655927340741
Energy: 0.6341749198964394
Energy: 0.6262647559840074
Energy: 1.6475066876274713
Energy: 0.6262647559789637
Energy: 0.6327497989528189
Energy: 0.6487833322107809
Energy: 1.735882172574675
Energy: 0.6487833322107809
Energy: 0.6333414880775945
Energy: 0.6354393310493673
Energy: 2.2300810375728353
Energy: 0.6354393310493673
Energy: 0.9037093312340747
Energy: 0.6309733062436825
Energy: 1.7587428645960108
Energy: 0.6309733062426739
Energy: 0.9069535551132634
Energy: 0.6535354404648656
Energy: 1.7395166282516166
Energy: 0.6535354404648656
Energy: 0.910505273483541
Energy: 0.6446767716235399
Energy: 1.7493345407882634
Energy: 0.6446767716225312
Energy: 1.4556489308255895
Energy: 0.6287456828844674
Energy: 1.7505687389193907
Energy: 0.628745682889511
Energy: 0.9407021443206764
Energy: 0.6893162975423744
Energy: 1.451912242593751
Energy: 0.6893162975191737
Energy: 1.462787547124367
Energy: 0.6978761025445422
Energy: 1.1894604838583676
Energy: 0.6978761025435335
Energy: 1.736767365135307
Energy: 0.7002178043312501
Energy: 1.1928907290330142
Energy: 0.7002178043312501
Energy: 1.6336427271545837
Energy: 0.6391978401449618
Energy: 0.9173086299813169
Energy: 0.6391978401459705
Energy: 1.7368933613070676
Energy: 0.6541362625044187
Energy: 0.6638194862439988
Energy: 0.6541362625034101
Energy: 1.995403966878402
Energy: 0.6452037620518971
Energy: 0.9196893917273503
Energy: 0.6452037620518971
Energy: 1.4885661722268757
Energy: 0.6350403454766558
Energy: 0.627543459467196
Energy: 0.6350403454766558
Energy: 1.736931423170785
Energy: 0.6507348460832966
Energy: 0.6420463193197674
Energy: 0.6507348460843053
Energy: 1.757548894805296
Energy: 0.6382705052199266
Energy: 0.6418166504284863
Energy: 0.6382705052199266

minimum gb energy = 0.6259691659609595 eV
minimum distance =  2.21352128912554 Angstroms
sigma value = 41


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

Energy: 2.1473302741773335
Energy: 0.5569284155625817
Energy: 1.016919685841436
Energy: 0.5717056417605751
Energy: 1.9257187975237078
Energy: 0.5758183201724463
Energy: 0.7952565855656043
Energy: 0.5758183201707924
Energy: 1.9284170496123363
Energy: 0.574704294745679
Energy: 0.7900159751168627
Energy: 0.5747042947473329
Energy: 1.4916259198854693
Energy: 0.5708557062264366
Energy: 1.2476890339602866
Energy: 0.5708557062280905
Energy: 1.9235962868846008
Energy: 0.8125669940641576
Energy: 1.2469502360723528
Energy: 0.8125669940633305
Energy: 1.488612136449677
Energy: 1.0252008734884974
Energy: 1.2518093170663698
Energy: 1.0252008734901514
Energy: 1.4879275482930119
Energy: 1.0248346811325877
Energy: 1.7040907230688835
Energy: 1.0248346811334146
Energy: 1.486486662857614
Energy: 1.0215247832992882
Energy: 1.2551696061793882
Energy: 1.0215247832976342
Energy: 1.0190404890677072
Energy: 1.0260816170084055
Energy: 1.7059021162255534
Energy: 1.0260816170084055
Energy: 1.0255202302364648
Energy: 0.8118535173270385
Energy: 1.923165105440307
Energy: 0.8118535173262115
Energy: 0.8061524404169766
Energy: 0.5635430075683397
Energy: 1.712294532176925
Energy: 0.5635430075642048
Energy: 0.798305776769167
Energy: 0.5786606463711697
Energy: 1.923253862253302
Energy: 0.5786606463670346
Energy: 0.7978086714640216
Energy: 0.5688406313746822
Energy: 2.1398184635333206
Energy: 0.5688406313763362
Energy: 0.5613696029279305
Energy: 0.5596293724223436
Energy: 1.7185216629309734
Energy: 0.5596293724215164
Energy: 0.5683353041445479
Energy: 0.5733628255393336
Energy: 1.9234550408704667
Energy: 0.5733628255393336
Energy: 0.5692169613636191
Energy: 0.5723443449376965
Energy: 1.9357209604265038
Energy: 0.5723443449360427
Energy: 0.7936390427404911
Energy: 0.5650433106874347
Energy: 1.9351604024356013
Energy: 0.5650433106890888
Energy: 0.7953737748529428
Energy: 0.5786032412920057
Energy: 1.922787823627961
Energy: 0.5786032412895248
Energy: 0.7991333563317968
Energy: 0.5684290689180403
Energy: 1.4926229587632094
Energy: 0.5684290689122513
Energy: 1.250087727729137
Energy: 0.8066161621784137
Energy: 1.4933298082155249
Energy: 0.8066161621759327
Energy: 1.246242395136574
Energy: 0.8103597459004265
Energy: 1.7010179588044514
Energy: 0.8103597458995995
Energy: 1.249532920943654
Energy: 1.0199380991103337
Energy: 1.490718311939024
Energy: 1.0199380991086797
Energy: 1.7051288295629936
Energy: 1.0270470891839247
Energy: 1.4881672062081992
Energy: 1.0270470891830978
Energy: 1.2579896141152453
Energy: 1.0199120910576547
Energy: 1.2446061973631617
Energy: 1.0199120910601358
Energy: 1.7030043589075465
Energy: 0.8105268821335948
Energy: 1.0276436511079643
Energy: 0.8105268821327678
Energy: 1.7121880474036524
Energy: 0.8083019364428389
Energy: 1.2504838845535238
Energy: 0.8083019364436659
Energy: 1.7115514782348533
Energy: 0.5724768979232208
Energy: 0.7976284032861334
Energy: 0.5724768979215669
Energy: 1.9260985366891017
Energy: 0.5793135156721326
Energy: 0.7942968008350374
Energy: 0.5793135156737866
Energy: 1.7179965804061659
Energy: 0.5653748421040233
Energy: 0.8133353301400925
Energy: 0.5653748421048502
Energy: 1.7166239386179794
Energy: 0.5719785040638717
Energy: 0.57154115368355
Energy: 0.5719785040630447
Energy: 1.9230725901437709
Energy: 0.5739322373870703
Energy: 0.5749105819192166
Energy: 0.5739322373862434
Energy: 1.9350160879272702
Energy: 0.5641036760895285
Energy: 0.5638706776909649
Energy: 0.5641036760895285

minimum gb energy = 0.5569284155625817 eV
minimum distance =  2.21787330621573 Angstroms
sigma value = 15


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

Energy: 1.860903451383217
Energy: 0.5056827385296276
Energy: 0.9880869731132295
Energy: 0.5070238472038426
Energy: 2.0543992749831963
Energy: 0.5194630933628802
Energy: 0.7105707186045581
Energy: 0.5194630933614791
Energy: 2.058771301981433
Energy: 0.5223824873804175
Energy: 0.703391975077905
Energy: 0.5223824873804175
Energy: 1.6803098415672713
Energy: 0.5148504665686137
Energy: 1.0940728377383078
Energy: 0.5148504665517997
Energy: 2.0561196212059465
Energy: 0.7312900709586475
Energy: 1.092378948613317
Energy: 0.7312900709607494
Energy: 1.6785833408277733
Energy: 0.9205500327535553
Energy: 1.0916350389224758
Energy: 0.9205500327549564
Energy: 1.2963818525741981
Energy: 0.919873121163478
Energy: 1.4823986964447646
Energy: 0.919873121164879
Energy: 1.6734871948422354
Energy: 0.9183457882073328
Energy: 1.105166410361023
Energy: 0.9183457882059316
Energy: 1.30067869345573
Energy: 0.9233365307100891
Energy: 1.4825954995918402
Energy: 0.9233365307093887
Energy: 1.2958817911854477
Energy: 0.9226770516533948
Energy: 1.8632918066674538
Energy: 0.9226770516533948
Energy: 1.0878676994603693
Energy: 0.7236813437326459
Energy: 1.4890899639494257
Energy: 0.7236813437361488
Energy: 0.9038946258514302
Energy: 0.9198551907042123
Energy: 1.8698984917474295
Energy: 0.9198551907035117
Energy: 1.0967713178254659
Energy: 0.7281222478974485
Energy: 1.8704326896540004
Energy: 0.7281222478967478
Energy: 0.7100791657850074
Energy: 0.5185017928559577
Energy: 1.4900720410844004
Energy: 0.5185017928580594
Energy: 0.718004683084989
Energy: 0.5224023941721163
Energy: 2.0532167607638847
Energy: 0.5224023941700147
Energy: 0.708432306405276
Energy: 0.5082733841016862
Energy: 1.8762204325764422
Energy: 0.5082733841023868
Energy: 0.5143429011005451
Energy: 0.5041344751040961
Energy: 1.8823518702737991
Energy: 0.504134475106198
Energy: 0.5240648480494183
Energy: 0.5170938735131375
Energy: 2.0687659271340775
Energy: 0.5170938735131375
Energy: 0.5142283654402376
Energy: 0.5085201353588427
Energy: 1.6850822334120532
Energy: 0.5085201353595432
Energy: 0.7115451730079243
Energy: 0.5118156616271949
Energy: 2.0645940792158712
Energy: 0.5118156616299974
Energy: 0.7059379591691066
Energy: 0.521122467338893
Energy: 2.05430511302677
Energy: 0.5211224673374919
Energy: 0.7059254699002164
Energy: 0.5179850596880966
Energy: 1.6840574019391374
Energy: 0.517985059685995
Energy: 1.102372788721351
Energy: 0.7277071852531989
Energy: 1.6819796527488855
Energy: 0.7277071852546
Energy: 1.0870778722393943
Energy: 0.916795450039514
Energy: 1.8673198444735697
Energy: 0.9167954500409151
Energy: 1.0910193388688487
Energy: 0.7255968423332253
Energy: 1.2956864470234417
Energy: 0.7255968423374289
Energy: 1.483224832283172
Energy: 0.9233258120779911
Energy: 1.8655497676807444
Energy: 0.9233258120779911
Energy: 1.0990064326557203
Energy: 0.923461793469479
Energy: 1.4819069469225032
Energy: 0.9234617934708802
Energy: 1.6729483868957373
Energy: 0.9179726587313277
Energy: 1.2898032680120544
Energy: 0.9179726587320284
Energy: 1.4915039331219762
Energy: 0.9206009725382104
Energy: 1.4927089191543632
Energy: 0.9206009725382104
Energy: 1.492283080091368
Energy: 0.9203954767253129
Energy: 1.1003343533399683
Energy: 0.9203954767253129
Energy: 2.0553195129559363
Energy: 0.7312538363066668
Energy: 0.9023031657286409
Energy: 0.7312538363059663
Energy: 1.49070896895318
Energy: 0.7180194517945606
Energy: 1.092745928551358
Energy: 0.7180194517945606
Energy: 1.8730023910775464
Energy: 0.5248112567124474
Energy: 0.7065258398619289
Energy: 0.5248112567124474
Energy: 2.0544003878194204
Energy: 0.521953195948381
Energy: 0.7141407359379573
Energy: 0.5219531959518838
Energy: 1.874036570257832
Energy: 0.49701918562299163
Energy: 0.6941184812885467
Energy: 0.49701918565241615
Energy: 2.05973230528296
Energy: 0.5125132780109173
Energy: 0.5166946242657213
Energy: 0.5125132780109173
Energy: 2.0645132369521515
Energy: 0.5110270255901651
Energy: 0.5116145810300301
Energy: 0.5110270255901651

minimum gb energy = 0.49701918562299163 eV
minimum distance =  2.26943597312465 Angstroms
sigma value = 85


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

Energy: 2.0914129862637996
Energy: 0.42245519484761274
Energy: 0.4283035642854152
Energy: 0.4237315258076062
Energy: 2.1000213616901116
Energy: 0.43480907920373035
Energy: 0.5990640313420723
Energy: 0.43480907920373035
Energy: 1.8892236400019393
Energy: 0.4349865461293968
Energy: 0.5988309672157734
Energy: 0.4349865461300044
Energy: 1.5452441843040359
Energy: 0.4380046819422697
Energy: 0.933041990864958
Energy: 0.4380046820151285
Energy: 2.1011783428557425
Energy: 0.4367243241153221
Energy: 0.9353529704970538
Energy: 0.4367243241220058
Energy: 1.5490524900603977
Energy: 0.622443909713722
Energy: 0.9394699361310334
Energy: 0.622443909713722
Energy: 1.546082723049417
Energy: 0.7939327032576606
Energy: 1.2818324003161363
Energy: 0.7939327032576606
Energy: 1.7740518208585299
Energy: 0.8039002456523215
Energy: 1.0211290426641104
Energy: 0.8039002456529014
Energy: 1.5396970902234997
Energy: 0.8073765468517511
Energy: 1.287089180968275
Energy: 0.8073765468505358
Energy: 1.5445595511081314
Energy: 0.8093589898901079
Energy: 1.6259105208529792
Energy: 0.8093589898901079
Energy: 1.2772609738055292
Energy: 0.6336061359721628
Energy: 1.3659329906070077
Energy: 0.6336061359679369
Energy: 1.198022332051868
Energy: 0.8066575552932495
Energy: 1.625575155475808
Energy: 0.8066575552944647
Energy: 1.2878226081794284
Energy: 0.8070336902460232
Energy: 1.7185492914683391
Energy: 0.8070336902454155
Energy: 0.9283733138317646
Energy: 0.44331657331036806
Energy: 1.3676701126450501
Energy: 0.44331657330976043
Energy: 0.8468497412343184
Energy: 0.4412724348068457
Energy: 1.9534662449519156
Energy: 0.4412724348062381
Energy: 0.9383386843519405
Energy: 0.5372644115981543
Energy: 1.7190388435048314
Energy: 0.5372644115981543
Energy: 0.6005705584993124
Energy: 0.4417449320979075
Energy: 1.722335994235688
Energy: 0.4417449320979075
Energy: 0.6259727203940391
Energy: 0.4430273141746354
Energy: 2.0367530904041415
Energy: 0.4430273141746354
Energy: 0.5909034525975635
Energy: 0.43587963014731196
Energy: 2.0578541905366645
Energy: 0.43587963014670433
Energy: 0.5173036890812233
Energy: 0.43554550563328875
Energy: 2.05916121446811
Energy: 0.43554550563328875
Energy: 0.5310851106514064
Energy: 0.435048613377533
Energy: 2.1133548750789277
Energy: 0.43504861337692535
Energy: 0.5187180610089013
Energy: 0.42957387076483566
Energy: 1.8004481280562625
Energy: 0.42957387078914033
Energy: 0.6748446295835723
Energy: 0.41726339507231763
Energy: 2.1406285132162144
Energy: 0.4172633950856853
Energy: 0.6871254440108775
Energy: 0.4407242641089392
Energy: 2.1196564970900234
Energy: 0.4407242641089392
Energy: 0.6623642199168063
Energy: 0.43389398304832494
Energy: 1.5448194596313007
Energy: 0.43389398303678023
Energy: 0.9417688346122632
Energy: 0.7216144844200933
Energy: 2.118562242866449
Energy: 0.7216144844207011
Energy: 0.9500243526236729
Energy: 0.722235917372168
Energy: 1.884027427562241
Energy: 0.722235917372168
Energy: 1.2702610898705182
Energy: 0.44231181692709187
Energy: 1.5412473504110005
Energy: 0.4423118169446851
Energy: 1.28717033120565
Energy: 0.7334192160292092
Energy: 1.8696088275404206
Energy: 0.733419216027994
Energy: 1.288461041923445
Energy: 0.8115709245455128
Energy: 1.5452887540299578
Energy: 0.8115709245449053
Energy: 1.627419270904869
Energy: 0.8095465494252309
Energy: 1.197377701039578
Energy: 0.8095465494252309
Energy: 1.374795192819756
Energy: 0.8049534556418982
Energy: 1.6215445369472348
Energy: 0.8049534556418982
Energy: 1.6308975672895234
Energy: 0.8090434396044404
Energy: 1.1995671655266107
Energy: 0.809043439605048
Energy: 1.961552354165324
Energy: 0.8074904885695291
Energy: 1.200135031389978
Energy: 0.8074904885695291
Energy: 1.376733613395348
Energy: 0.4360118285562269
Energy: 1.2099701693375162
Energy: 0.436011828554404
Energy: 1.9604649768688636
Energy: 0.4371774265999437
Energy: 0.9448646448737713
Energy: 0.4371774266011313
Energy: 2.055663912755156
Energy: 0.6179827341417956
Energy: 0.9368523380953115
Energy: 0.6179827341417956
Energy: 1.718678745815935
Energy: 0.4349662944328069
Energy: 0.6023715716475094
Energy: 0.4349662944334145
Energy: 2.0994618327702534
Energy: 0.4345919888596224
Energy: 0.5948606063036378
Energy: 0.4345919888590148
Energy: 2.059103732083104
Energy: 0.4346765743483628
Energy: 0.5976735063386521
Energy: 0.4346765743495781
Energy: 1.7183292895420033
Energy: 0.43642521110050364
Energy: 0.43378549927144416
Energy: 0.43642521110050364
Energy: 2.102100259810418
Energy: 0.4310224402003335
Energy: 0.44367461227648025
Energy: 0.4310224402003335
Energy: 1.8887798674244247
Energy: 0.44166416399148617
Energy: 0.4294860192612711
Energy: 0.441664163990271

minimum gb energy = 0.41726339507231763 eV
minimum distance =  2.25729192262227 Angstroms
sigma value = 113


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

Energy: 0.019688267097682687
Energy: 0.712544297502309
Energy: 0.07774872453889585
Energy: 0.02011015295217204
Energy: 31.65722162663975
Energy: 0.08211439369516577
Energy: 1.3201961426711961
Energy: 0.08211439369469864
Energy: 0.02035577684202093
Energy: 0.08213895184124322
Energy: 1.3088780073749566
Energy: 0.08213895184171031
Energy: 0.021326786965310072
Energy: 0.0790524821202488
Energy: 1.3360403274534982
Energy: 0.0790524821202488
Energy: 1.3121315799998081
Energy: 0.08189462672095453
Energy: 1.31649564701497
Energy: 0.08189462672142164
Energy: 0.024975687779694063
Energy: 0.08140469031359246
Energy: 1.3238965311052202
Energy: 0.08140469031359246

minimum gb energy = 0.019688267097682687 eV
minimum distance =  2.4361841205428 Angstroms
sigma value = 1