Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_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=3.6122690513730054
cohesive_energy=4.26123621847027
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=[0.0, 0.0, 1.5743900846365378e-20, 1.7571872233394998e-19, 3.38028828417954e-19, 4.45465986964092e-19, 5.017760869426559e-19, 5.286926543938559e-19, 5.5183769804862e-19, 5.722269978929039e-19, 5.902018175497499e-19, 6.06032924870304e-19, 6.199366137001559e-19, 6.32095532175582e-19, 6.426602849001779e-19, 6.51762250357932e-19, 6.595119787365899e-19, 6.66005600634192e-19, 6.713264292357059e-19, 6.755481646662961e-19, 6.787380983445899e-19, 6.80953908629412e-19, 6.822500695263181e-19, 6.8267144198106e-19, 6.822180259936379e-19, 6.80750432196894e-19, 6.780876146311859e-19, 6.74016483804192e-19, 6.682758849245699e-19, 6.60543780488886e-19, 6.50342721860208e-19, 6.3717763645863e-19, 6.204701385192779e-19, 5.995216790297279e-19, 5.734478564880119e-19, 5.411351581335e-19, 5.011608511152e-19, 4.51736906309568e-19, 3.9066834172802395e-19, 3.153083615712e-19, 2.2204565970605996e-19, 1.0547545347546839e-19, -4.12618161613824e-20, -2.275891908597e-19, -4.7127224600793e-19, -8.1481897075338e-19, -1.28771742604482e-18, -1.9211700018294e-18, -2.75859568488852e-18, -3.95739230774634e-18, -5.83701786945612e-18, -8.91636931647144e-18, -1.492480406399922e-17, -2.90625228347796e-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: 0.01645860775583136
Energy: 0.017249077479245957
Energy: 1.3333241853935311
Energy: 0.12408198166401772
Energy: 0.01724907747987412
Energy: 1.84402109189882
Energy: 0.12408198166401772
Energy: 1.84402109189882
Energy: 1.3333241853935311
Energy: 0.12408198166401772
Energy: 0.01645860775583136
Energy: 0.017249077479245957
Energy: 0.12408198166338955
Energy: 1.8440210918981916
Energy: 0.01724907747987412
Energy: 1.84402109189882

minimum gb energy = 0.01645860775583136 eV
minimum distance =  2.53647475256256 Angstroms
sigma value = 1


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

Energy: 1.9992035887435746
Energy: 0.7643434192561475
Energy: 0.8246122515235706
Energy: 0.7728887960006138
Energy: 0.9426397541284618
Energy: 0.8588404549459744
Energy: 0.9038452677969514
Energy: 0.8588404549474982
Energy: 0.8221554509177087
Energy: 0.7734611390142754
Energy: 2.175064066336338
Energy: 0.773461139015799
Energy: 0.8391028676657938
Energy: 1.0049650936342214
Energy: 0.9021850282833624
Energy: 1.0049650936273649
Energy: 1.83767816126345
Energy: 1.0039552693758156
Energy: 0.8456138126234897
Energy: 1.0039552693773393
Energy: 0.959100345609088
Energy: 1.2499569248972617
Energy: 0.8518628456156392
Energy: 1.2499569248949762
Energy: 0.9387011422675382
Energy: 1.2671086803529492
Energy: 1.0074644048904284
Energy: 1.2671086803521872
Energy: 0.9875589191120691
Energy: 1.170438463349341
Energy: 0.9228794857780398
Energy: 1.170438463349341
Energy: 1.3325560863022619
Energy: 1.2961629218606923
Energy: 0.9605739742626006
Energy: 1.2961629218614543
Energy: 1.0149314036116708
Energy: 1.2636553970165203
Energy: 1.0267648618770613
Energy: 1.263655397013473
Energy: 1.031230421646283
Energy: 1.264225821614982
Energy: 0.9877983892646526
Energy: 1.2642258216165054
Energy: 1.0056417482117423
Energy: 1.2648095813865925
Energy: 0.9815784713604413
Energy: 1.264809581388116
Energy: 0.93684305422169
Energy: 1.2467787580590706
Energy: 0.9706992810316425
Energy: 1.246778758057547
Energy: 0.9072343852514518
Energy: 1.2483338749788144
Energy: 0.9935879218292274
Energy: 1.248333874977291
Energy: 0.9731771983923106
Energy: 1.0007228584656878
Energy: 0.8444212952795656
Energy: 1.0007228584496894
Energy: 0.7943920988286646
Energy: 0.9968145643312947
Energy: 0.9011395903258773
Energy: 0.9968145643328181
Energy: 0.8242964074869927
Energy: 0.7456483050209464
Energy: 0.7976255218158476
Energy: 0.7456483048526517
Energy: 0.7654497223741042
Energy: 0.8166511770586731
Energy: 0.9435467712578102
Energy: 0.8166511770571495
Energy: 0.8884747731526607
Energy: 0.7752867737267884
Energy: 0.8260065977879018
Energy: 0.775286773729074
Energy: 0.86545648131375
Energy: 0.8337468047800468
Energy: 0.8389015447785126
Energy: 0.833746804783094
Energy: 0.8424307034450979
Energy: 0.9930290275217553
Energy: 1.0069082943368297
Energy: 0.9930290275202315
Energy: 0.8497846544163304
Energy: 0.8649885439423773
Energy: 0.9626312153339921
Energy: 0.8649885439370447
Energy: 1.006997109529318
Energy: 1.2691139367409916
Energy: 0.9341237332590344
Energy: 1.2691139367402298
Energy: 0.9148805084245385
Energy: 1.2461518463600092
Energy: 0.9642285177363534
Energy: 1.2461518463592471
Energy: 1.0568735876689588
Energy: 1.2965169430793073
Energy: 0.9924028366798677
Energy: 1.2965169430777839
Energy: 1.033681425435909
Energy: 1.264457941574784
Energy: 0.9915569612227308
Energy: 1.2644579415740222
Energy: 0.987517146702235
Energy: 1.2658011145762924
Energy: 1.0310236745332202
Energy: 1.2658011145770542
Energy: 0.9794849133534778
Energy: 1.2668963483091875
Energy: 1.0102703855754014
Energy: 1.2668963483091875
Energy: 0.9750423605884176
Energy: 1.2797008898442674
Energy: 1.1806177247257612
Energy: 1.2797008898435052
Energy: 0.9985493093748244
Energy: 1.247927410962679
Energy: 0.9217646163762003
Energy: 1.2479274109619172
Energy: 0.8765553778591729
Energy: 1.0082382412136908
Energy: 0.9722650589201698
Energy: 1.0082382412152144
Energy: 0.9007392588678185
Energy: 0.9991225670588205
Energy: 0.7953582963779522
Energy: 0.9991225670618679
Energy: 0.7970522367067812
Energy: 0.7362848368745187
Energy: 0.7574600709079193
Energy: 0.7362848368737569

minimum gb energy = 0.7362848368737569 eV
minimum distance =  2.28248448792198 Angstroms
sigma value = 1


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

Energy: 2.2307954425019134
Energy: 0.8238056535609102
Energy: 0.8540617946218804
Energy: 0.8536581344384948
Energy: 1.0336024049389845
Energy: 0.9311554654402763
Energy: 0.9876500954819706
Energy: 0.9311554654394076
Energy: 0.898648729208734
Energy: 0.8483700428249283
Energy: 2.0527211199081172
Energy: 0.8483700428231912
Energy: 0.9188792218877615
Energy: 1.0811496117468884
Energy: 0.9855468433638682
Energy: 1.0811496117477573
Energy: 0.989091797123585
Energy: 1.088909310322355
Energy: 0.9195517333294061
Energy: 1.0889093103206178
Energy: 1.0115377316646634
Energy: 1.3443338954040496
Energy: 0.9294952167053903
Energy: 1.3443338954040496
Energy: 1.0426871884092466
Energy: 1.3811223934893053
Energy: 1.087293429213218
Energy: 1.3811223934884367
Energy: 1.0870498002932572
Energy: 1.241834471796428
Energy: 0.9560825259918874
Energy: 1.2418344715541625
Energy: 1.079787570488201
Energy: 1.3539501851448992
Energy: 1.0622824068629761
Energy: 1.3539501851440308
Energy: 1.034462608549921
Energy: 1.3601982004019533
Energy: 1.0874000354996294
Energy: 1.3601982004036508
Energy: 1.0930886219529026
Energy: 1.3470385461291818
Energy: 1.1854580576299385
Energy: 1.3470385461291818
Energy: 1.1025678169845445
Energy: 1.3548422272987823
Energy: 0.9835877200167185
Energy: 1.3548422272987823
Energy: 0.9230665240234283
Energy: 1.1190483978763013
Energy: 1.095901960373178
Energy: 1.1190483978754326
Energy: 0.9865264334091429
Energy: 1.0832448734111204
Energy: 0.8695737645266415
Energy: 1.0832448734111204
Energy: 0.8720663260167154
Energy: 0.7961483506328497
Energy: 0.8501755561761616
Energy: 0.7961483506363242
Energy: 1.07292756009603
Energy: 0.8997930813731007
Energy: 0.8197353183295595
Energy: 0.8997930813731007
Energy: 0.9060253009997677
Energy: 0.8490694584738507
Energy: 0.9933688609675646
Energy: 0.8490694584755881
Energy: 0.916766287831875
Energy: 0.9199220701487085
Energy: 0.9454507704033809
Energy: 0.919922070149577
Energy: 0.984413741554486
Energy: 1.0895603607434943
Energy: 0.920843643442534
Energy: 1.0895603607452315
Energy: 1.0202675340341814
Energy: 1.0796924585111918
Energy: 0.9381418052595057
Energy: 1.0796924585085859
Energy: 1.04030386039761
Energy: 1.3814802172906644
Energy: 1.2279638980668726
Energy: 1.3814802172906644
Energy: 1.0888339072427844
Energy: 1.3462135904606796
Energy: 0.9581060055113669
Energy: 1.3462135904606796
Energy: 1.0797936443731315
Energy: 1.3886530853950683
Energy: 1.0632575402524884
Energy: 1.3886530853959371
Energy: 1.0852577531588155
Energy: 1.352882410032275
Energy: 1.0773659676700855
Energy: 1.3528824100331434
Energy: 1.0883906586610919
Energy: 1.3761244459161632
Energy: 1.3137372517698198
Energy: 1.3761244459161632
Energy: 1.0891457355774739
Energy: 1.3607185067792267
Energy: 1.0498909774449237
Energy: 1.3607185067817933
Energy: 0.9734437297842503
Energy: 1.1325055864115237
Energy: 1.0950240219046898
Energy: 1.132505586410655
Energy: 0.984826377536062
Energy: 1.0820744954417183
Energy: 0.8683391889199139
Energy: 1.0820744954408494
Energy: 0.8727722832519057
Energy: 0.7960716452581088
Energy: 0.8010792311299664
Energy: 0.7960716452563718

minimum gb energy = 0.7960716452563718 eV
minimum distance =  2.27641623844556 Angstroms
sigma value = 25


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

Energy: 2.1026784461815784
Energy: 0.9245461493260132
Energy: 0.9510972804381078
Energy: 0.943355543937543
Energy: 1.196838896771511
Energy: 1.043196501240035
Energy: 1.2469568466862517
Energy: 1.0431965012380155
Energy: 0.9483104681238533
Energy: 0.9503862543046909
Energy: 1.8144139986262606
Energy: 0.9503862543036812
Energy: 1.0168636994577522
Energy: 1.2118750106973375
Energy: 1.2475671029433242
Energy: 1.2118750106973375
Energy: 1.1156696174043794
Energy: 1.2084015067266454
Energy: 1.0319701922572537
Energy: 1.2084015067256357
Energy: 1.1875880324754926
Energy: 1.4746755992754603
Energy: 1.054676361379942
Energy: 1.4746755992774796
Energy: 1.173541055657665
Energy: 1.506162183246327
Energy: 1.3413099058310365
Energy: 1.506162183246327
Energy: 1.1708012828583372
Energy: 1.3341477106652417
Energy: 1.1246621892598014
Energy: 1.334147710664232
Energy: 1.3295533840644016
Energy: 1.4664991965238856
Energy: 1.2210214217099686
Energy: 1.4664991965238856
Energy: 1.1702929014632932
Energy: 1.4669858865967116
Energy: 1.0889260505214722
Energy: 1.4669858865957015
Energy: 0.9755159425178072
Energy: 1.2104919745414182
Energy: 1.045752893663496
Energy: 1.2104919745414182
Energy: 1.0587321183644838
Energy: 1.2111760981864053
Energy: 1.0927975419276998
Energy: 1.2111760981864053
Energy: 0.9146270049089458
Energy: 0.909490643235124
Energy: 0.9864241804147251
Energy: 0.9094906432361336
Energy: 1.0734241595617615
Energy: 0.9038754316207872
Energy: 1.1924600688288547
Energy: 0.9038754316207872
Energy: 1.27822957950732
Energy: 0.9144741838294407
Energy: 0.942731940767075
Energy: 0.9144741838294407
Energy: 1.1530529927727078
Energy: 1.0022585197115788
Energy: 1.0193507575916398
Energy: 1.0022585197125884
Energy: 1.0326213334754089
Energy: 1.2095638343934692
Energy: 1.1175230656116053
Energy: 1.2095638343934692
Energy: 1.0582062835989834
Energy: 1.2084348509209089
Energy: 1.2089025370467348
Energy: 1.2084348509209089
Energy: 1.341030258715043
Energy: 1.5008652027775529
Energy: 1.175205904337265
Energy: 1.5008652027785625
Energy: 1.1252698837086286
Energy: 1.4688030058754713
Energy: 1.1682249801112363
Energy: 1.468803005876481
Energy: 1.2275108545494309
Energy: 1.4681202011161052
Energy: 1.331933636180181
Energy: 1.4681202011161052
Energy: 1.2236376600241239
Energy: 1.4705047633768396
Energy: 1.1469240530451548
Energy: 1.4705047633768396
Energy: 1.1127298996100285
Energy: 1.210439774923756
Energy: 0.9802950135432386
Energy: 1.210439774926785
Energy: 1.0240980356977754
Energy: 1.2098918389925621
Energy: 0.9755968990733582
Energy: 1.209891838993572
Energy: 0.9925285172399635
Energy: 0.9017685829156541
Energy: 0.9070795614295107
Energy: 0.9017685829156541

minimum gb energy = 0.9017685829156541 eV
minimum distance =  2.29500404165544 Angstroms
sigma value = 9


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

Energy: 1.7587117561276269
Energy: 1.0601678809320794
Energy: 1.0766134084545993
Energy: 1.0759648447318904
Energy: 1.1782917056608482
Energy: 1.185609488737795
Energy: 1.219022243279436
Energy: 1.185609488737795
Energy: 1.1691839189314228
Energy: 1.0082001187772573
Energy: 1.0417081390420346
Energy: 1.0082001187772573
Energy: 1.028182501472294
Energy: 1.3498212029846124
Energy: 1.254712634346413
Energy: 1.349821202983408
Energy: 1.232249169550328
Energy: 1.3497199783657583
Energy: 1.1904313687640802
Energy: 1.3497199783657583
Energy: 1.2545823418397122
Energy: 1.6355692234878723
Energy: 1.2033469927534617
Energy: 1.6355692234890769
Energy: 1.3178597795826574
Energy: 1.6109645636815633
Energy: 1.2275202124708746
Energy: 1.610964563682768
Energy: 1.2360493694766799
Energy: 1.5892737589042722
Energy: 1.2066596519555575
Energy: 1.5892737589042722
Energy: 1.18693494205994
Energy: 1.349166562022989
Energy: 1.0985793328026368
Energy: 1.349166562022989
Energy: 1.24866465276889
Energy: 1.3482418767760498
Energy: 1.0990565106855958
Energy: 1.3482418767760498
Energy: 1.10700533060528
Energy: 1.0073347498219956
Energy: 1.008845561337578
Energy: 1.0073347498219956
Energy: 1.1723249624110126
Energy: 1.0078682458696553
Energy: 1.024012833274974
Energy: 1.0078682458696553
Energy: 1.1873116216780615
Energy: 1.0218546899222813
Energy: 1.0429504567974714
Energy: 1.0218546899222813
Energy: 1.0281398236449957
Energy: 1.006285128158198
Energy: 1.0769468387032473
Energy: 1.006285128158198
Energy: 1.2325019180257917
Energy: 1.3525695817924617
Energy: 1.1863467009987356
Energy: 1.3525695817936665
Energy: 1.2599134537560999
Energy: 1.3500232159015384
Energy: 1.2123737755024808
Energy: 1.350023215902743
Energy: 1.3335437469167577
Energy: 1.615389514009363
Energy: 1.227964215623678
Energy: 1.6153895140081584
Energy: 1.3348732965905608
Energy: 1.6110131443993363
Energy: 1.211678746909259
Energy: 1.611013144398132
Energy: 1.1874888434839268
Energy: 1.3479779386923425
Energy: 1.095672473262372
Energy: 1.3479779386911377
Energy: 1.2477513970725056
Energy: 1.3490042993608673
Energy: 1.0851067196384954
Energy: 1.3490042993608673
Energy: 1.1215754915422451
Energy: 1.0081704348225962
Energy: 1.0029040010478103
Energy: 1.0081704348225962

minimum gb energy = 1.0029040010478103 eV
minimum distance =  2.28442293212095 Angstroms
sigma value = 25


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

Energy: 1.722287808662948
Energy: 1.7463234128116343
Energy: 1.2920589118141939
Energy: 1.2907116874787445
Energy: 1.314060697842154
Energy: 1.320615705354229
Energy: 1.2334525501875
Energy: 1.320615705354229
Energy: 1.3979484876676609
Energy: 1.1818484718119755
Energy: 1.5260568062586435
Energy: 1.1818484718119755
Energy: 1.2274839301397846
Energy: 1.355035936767131
Energy: 1.3178155480894895
Energy: 1.3550359367686209
Energy: 1.4719300076631479
Energy: 1.5282076392843496
Energy: 1.3711155011197396
Energy: 1.5282076392813702
Energy: 1.394194496685993
Energy: 1.5736121472988778
Energy: 1.3144390654248654
Energy: 1.5736121472988778
Energy: 1.5468237164520486
Energy: 1.5326929273946817
Energy: 1.386167277978902
Energy: 1.5326929273961714
Energy: 1.4636962500152546
Energy: 1.5483933427815717
Energy: 1.408009506664421
Energy: 1.5483933427815717
Energy: 1.1827693410678766
Energy: 1.1821437545059499
Energy: 1.1439135798829843
Energy: 1.1821437545044602
Energy: 1.2325677216775808
Energy: 1.182331630267369
Energy: 1.1425617600855082
Energy: 1.1823316302688587
Energy: 1.3508736011880176
Energy: 1.1977981271444809
Energy: 1.399935179845483
Energy: 1.1977981271370328
Energy: 1.2401648943907484
Energy: 1.1824471746114766
Energy: 1.2271390311884263
Energy: 1.1824471746114766
Energy: 1.3150402599654754
Energy: 1.5297767795975232
Energy: 1.4720380475754655
Energy: 1.5297767795960335
Energy: 1.284833742978356
Energy: 1.5293170762594925
Energy: 1.3949427697513903
Energy: 1.5293170762609825
Energy: 1.3714677988444517
Energy: 1.5297653828574342
Energy: 1.5011567086171766
Energy: 1.5297653828574342
Energy: 1.315183618364714
Energy: 1.5507959653179755
Energy: 1.504463963755669
Energy: 1.5507959653179755
Energy: 1.1435930560154504
Energy: 1.1819811629995298
Energy: 1.1816971115023116
Energy: 1.1819811629995298

minimum gb energy = 1.1425617600855082 eV
minimum distance =  2.30295473310705 Angstroms
sigma value = 17


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

Energy: 2.342910839635397
Energy: 1.246730657809715
Energy: 1.3907832079239761
Energy: 1.3336399784797877
Energy: 1.28464617915861
Energy: 1.6503069097481393
Energy: 1.2245859921831808
Energy: 1.6503069097481393
Energy: 1.3496135660781692
Energy: 1.2913214196536629
Energy: 1.318869063153789
Energy: 1.2913214196528195
Energy: 1.424845653117171
Energy: 1.588941778432778
Energy: 1.4248395457233063
Energy: 1.588941778432778
Energy: 1.4136810610353816
Energy: 1.8284810488265109
Energy: 1.4680515218134071
Energy: 1.8284810488298857
Energy: 1.35762424017766
Energy: 1.7411102401656116
Energy: 1.3665311186504892
Energy: 1.7411102401647678
Energy: 1.6149425236826935
Energy: 1.289921516304168
Energy: 1.292490684210547
Energy: 1.2899215163024806
Energy: 1.3725985902879612
Energy: 1.2893677736369893
Energy: 1.3489160420674136
Energy: 1.2893677736369893
Energy: 1.309703479033705
Energy: 1.226176028068528
Energy: 1.639766398354802
Energy: 1.2261760280651919
Energy: 1.2509293803236972
Energy: 1.2465008642942559
Energy: 1.3126122162438063
Energy: 1.2465008642934121
Energy: 1.436249362071242
Energy: 1.5201133952452712
Energy: 1.3368036441888242
Energy: 1.5201133952452712
Energy: 1.2588116323073382
Energy: 1.5152627450942122
Energy: 1.3874739198998196
Energy: 1.5152627449803928
Energy: 1.3413007500330483
Energy: 1.5188607413370487
Energy: 1.3889533433138266
Energy: 1.5188607413378923
Energy: 1.340305940319652
Energy: 1.627730976245236
Energy: 1.326552427767073
Energy: 1.627730976245236
Energy: 1.2529314787632253
Energy: 1.2474819890027569
Energy: 1.6711828167713632
Energy: 1.2474819890036006
Energy: 1.225396421575098
Energy: 1.2468379386550068
Energy: 1.3757554121329714
Energy: 1.2468379386558504
Energy: 1.3590595547615896
Energy: 1.2906823103269442
Energy: 1.2838668655558287
Energy: 1.2906823103286318
Energy: 1.359203057506823
Energy: 1.2897654016703786
Energy: 1.2904318760617146
Energy: 1.289765401668691
Energy: 1.315932416223982
Energy: 1.8255134057046456
Energy: 1.3860848881719245
Energy: 1.8255134057046456
Energy: 1.5980850138761038
Energy: 1.7319199723839092
Energy: 1.3364400480386012
Energy: 1.7319199723822218
Energy: 1.2897871476585578
Energy: 1.290086705543494
Energy: 1.2911153277464948
Energy: 1.290086705535901
Energy: 1.296867331558003
Energy: 1.2826511506470082
Energy: 1.5273781009831058
Energy: 1.282651150649539
Energy: 1.4894301686781297
Energy: 1.2469330469636302
Energy: 1.2219043846792284
Energy: 1.2469330469653175
Energy: 1.6381183772960857
Energy: 1.247298051858511
Energy: 1.3320423936506232
Energy: 1.2472980518568237
Energy: 1.3928307648724723
Energy: 1.5151282307605927
Energy: 1.3402181771160746
Energy: 1.5151282307614362
Energy: 1.3873257938873174
Energy: 1.5156346227589026
Energy: 1.550778861807923
Energy: 1.5156346227555277
Energy: 1.3708371413541576
Energy: 1.5396677349325842
Energy: 1.4534607860141053
Energy: 1.539667734930897
Energy: 1.4087202652144284
Energy: 1.6356406931792549
Energy: 1.3410933422642353
Energy: 1.6356406931817857
Energy: 1.3241029658477783
Energy: 1.6009751821140685
Energy: 1.5271215905018152
Energy: 1.6009751821140685
Energy: 1.3307462027605301
Energy: 1.248221805818493
Energy: 1.3212182421758303
Energy: 1.2482218058168058

minimum gb energy = 1.2219043846792284 eV
minimum distance =  2.28431616942747 Angstroms
sigma value = 53


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

Energy: 2.127505631106646
Energy: 1.3805170386593075
Energy: 1.3946820378937221
Energy: 1.435674088651126
Energy: 1.27238242162089
Energy: 1.3172197326819797
Energy: 1.288113100271046
Energy: 1.3172197326819797
Energy: 1.395685855230705
Energy: 1.287293192988006
Energy: 1.7443148630357193
Energy: 1.287293192988006
Energy: 1.2874487276241409
Energy: 1.4523147535954009
Energy: 1.2884490815557836
Energy: 1.4523147535934586
Energy: 1.3401506254187698
Energy: 1.4513804026177732
Energy: 1.360226251684903
Energy: 1.4513804026177732
Energy: 1.2884662343726252
Energy: 1.4119150069800683
Energy: 1.2911765560308155
Energy: 1.411915006978126
Energy: 1.267785565236634
Energy: 1.3176023969604367
Energy: 1.3194723335139888
Energy: 1.3176023969604367
Energy: 1.2694963533852126
Energy: 1.317184442721345
Energy: 1.2887599162104149
Energy: 1.3171844427194026
Energy: 1.3004412747960359
Energy: 1.2872325780926943
Energy: 1.745754944327093
Energy: 1.2872325780926943
Energy: 1.3176787143623727
Energy: 1.3174784545629248
Energy: 1.2880443842616949
Energy: 1.3174784545609828
Energy: 1.3390300362081156
Energy: 1.4118708709001737
Energy: 1.2899641307221212
Energy: 1.4118708709001737
Energy: 1.2868566061723303
Energy: 1.452280967095474
Energy: 1.3630419606095536
Energy: 1.452280967095474
Energy: 1.2678018894736962
Energy: 1.3174997746457027
Energy: 1.3170066216181757
Energy: 1.3174997746457027

minimum gb energy = 1.267785565236634 eV
minimum distance =  2.28744097869502 Angstroms
sigma value = 9


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

Energy: 2.043244476127854
Energy: 1.3186404867966817
Energy: 1.504654104070665
Energy: 1.4622505115096063
Energy: 1.3674617619034914
Energy: 1.8630773840598644
Energy: 1.4228742792765117
Energy: 1.863077384059146
Energy: 1.329860355559444
Energy: 1.6099918756888028
Energy: 1.4090249920404052
Energy: 1.609991875699586
Energy: 1.329077850844363
Energy: 1.4972605685798785
Energy: 1.5167336101940014
Energy: 1.497260568587067
Energy: 1.4025868931883658
Energy: 1.4038513264188577
Energy: 1.3835274151265728
Energy: 1.4038513264167012
Energy: 1.3412944381389844
Energy: 1.6975659266553356
Energy: 1.3830534411011657
Energy: 1.6975659266553356
Energy: 1.5211256092819052
Energy: 1.2957885230492607
Energy: 1.4288016466473354
Energy: 1.2957885230485422
Energy: 1.5320658925875255
Energy: 1.2950391739022433
Energy: 1.294649829668975
Energy: 1.2950391739022433
Energy: 1.2996438470785332
Energy: 2.0005522351086564
Energy: 1.533483906048632
Energy: 2.0005522351086564
Energy: 1.451715300308549
Energy: 1.6331406254615495
Energy: 1.3419446407282665
Energy: 1.6331406254615495
Energy: 1.324104062319168
Energy: 1.3244680069831039
Energy: 1.5334348440700778
Energy: 1.3244680069816661
Energy: 1.3817785988129663
Energy: 1.3248513130831168
Energy: 1.3864736001115776
Energy: 1.3248513130881487
Energy: 1.5279084546579376
Energy: 1.3248947270481344
Energy: 1.3792324382137024
Energy: 1.3248947270495721
Energy: 1.518324637490112
Energy: 1.3260197274020897
Energy: 1.322843559348162
Energy: 1.326019727402809
Energy: 1.3976250993752317
Energy: 1.79524634364449
Energy: 1.3711318242983916
Energy: 1.7952463436437716
Energy: 1.608859391596371
Energy: 1.8184969934851034
Energy: 1.3722842085817168
Energy: 1.8184969934843842
Energy: 1.3405095794150539
Energy: 1.8298251019006098
Energy: 1.3385210262166363
Energy: 1.8298251019027663
Energy: 1.2956909229400135
Energy: 1.296339092588431
Energy: 1.4107514765983906
Energy: 1.2963390925862743
Energy: 1.4214707754999003
Energy: 1.8345254807424975
Energy: 1.3676671930085618
Energy: 1.8345254807424975
Energy: 1.4089161014010503
Energy: 1.5944931269390952
Energy: 1.3314634095038385
Energy: 1.5944931269405331
Energy: 1.421519351507131
Energy: 1.3463691495138461
Energy: 1.333156491762473
Energy: 1.3463691495124084
Energy: 1.3829461845825592
Energy: 1.3994584073561394
Energy: 1.4017963453323072
Energy: 1.3994584073582959
Energy: 1.384981819952186
Energy: 1.6111032482576744
Energy: 1.3394911802917462
Energy: 1.6111032482562364
Energy: 1.4274504819994496
Energy: 1.2959303464042176
Energy: 1.3905026377093517
Energy: 1.2959303464042176
Energy: 1.2950572784376906
Energy: 1.2950005137434502
Energy: 1.5353716313937245
Energy: 1.2950005137448877
Energy: 1.5323408567903114
Energy: 1.9889352245793361
Energy: 1.298850406196354
Energy: 1.9889352245778986
Energy: 1.3439301221968114
Energy: 1.64305111466893
Energy: 1.4513569888422293
Energy: 1.6430511146467104
Energy: 1.5342617070895799
Energy: 1.5740372237676608
Energy: 1.3242184830910948
Energy: 1.5740372237633478
Energy: 1.4248844965667904
Energy: 1.5184911635336544
Energy: 1.3978507056339577
Energy: 1.5184911635365301
Energy: 1.3800419846120855
Energy: 1.3247604871001513
Energy: 1.525308125236554
Energy: 1.3247604871001513
Energy: 1.3233941515138796
Energy: 1.325313715016394
Energy: 1.5152350238482626
Energy: 1.3253137150178316
Energy: 1.3689269714216639
Energy: 1.8109672115002218
Energy: 1.4484915921406454
Energy: 1.8109672115016595
Energy: 1.374295843356644
Energy: 1.6986445438996294
Energy: 1.607429857705969
Energy: 1.6986445439003484
Energy: 1.3017095080409857
Energy: 1.827942641398294
Energy: 1.4064581363479447
Energy: 1.8279426413990132
Energy: 1.3879809506997882
Energy: 1.2963548730766365
Energy: 1.3033174922621436
Energy: 1.2963548730766365

minimum gb energy = 1.294649829668975 eV
minimum distance =  2.27150917676556 Angstroms
sigma value = 73


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

Energy: 2.1637953468687354
Energy: 1.3488085551356048
Energy: 1.481150090012699
Energy: 1.4805816843916948
Energy: 1.3464324982091462
Energy: 1.9106210863780544
Energy: 1.3387371716769687
Energy: 1.9106210863780544
Energy: 1.3076572990348743
Energy: 1.448539421001717
Energy: 1.5206068081452775
Energy: 1.4485394210028575
Energy: 1.2904059624317525
Energy: 1.4822094518730886
Energy: 1.4954975687470013
Energy: 1.482209451874229
Energy: 1.3878024735899208
Energy: 1.3876997035089997
Energy: 1.4601135482198957
Energy: 1.3876997035101404
Energy: 1.3080878177395316
Energy: 1.6550473966240467
Energy: 1.5156075876242083
Energy: 1.655047396622906
Energy: 1.6415863095121768
Energy: 1.48835053136722
Energy: 1.4656456633331476
Energy: 1.4883505313660794
Energy: 1.6890474085558782
Energy: 1.2851324134376652
Energy: 1.2854716245813531
Energy: 1.2851324134376652
Energy: 1.3605881162508864
Energy: 1.8886013328264675
Energy: 1.4269781724716366
Energy: 1.8886013328275821
Energy: 1.5751772869895604
Energy: 1.7458655790132869
Energy: 1.3999606411000824
Energy: 1.7458655790144273
Energy: 1.3255168103106263
Energy: 1.292264480433816
Energy: 1.53033232005657
Energy: 1.292264480433816
Energy: 1.3601129494276925
Energy: 1.2760718842831154
Energy: 1.4296109397114036
Energy: 1.2760718842831154
Energy: 1.3759164766211174
Energy: 1.56774232395383
Energy: 1.3793974539064209
Energy: 1.56774232395383
Energy: 1.3822586558140675
Energy: 1.534719837422565
Energy: 1.3559506039539535
Energy: 1.5347198374214246
Energy: 1.4134090705550144
Energy: 1.4797199032954458
Energy: 1.321266085759457
Energy: 1.4797199032943311
Energy: 1.4595739302171538
Energy: 1.6874431257057483
Energy: 1.2869991211949752
Energy: 1.6874431257057483
Energy: 1.516693667790567
Energy: 1.8395208762905746
Energy: 1.39907448753957
Energy: 1.8395208762905746
Energy: 1.5156083330930736
Energy: 1.2948536101882442
Energy: 1.6403108952206458
Energy: 1.2948536101882442
Energy: 1.278967517645865
Energy: 1.6514522667213158
Energy: 1.4928609236700872
Energy: 1.6514522667201754
Energy: 1.4311376694588136
Energy: 1.7041646112639581
Energy: 1.2951259259932006
Energy: 1.7041646112639581
Energy: 1.3611924732102687
Energy: 1.6217921901859411
Energy: 1.2967269933283605
Energy: 1.6217921901848005
Energy: 1.5718931014350177
Energy: 1.308251660181455
Energy: 1.3096283751437272
Energy: 1.308251660181455

minimum gb energy = 1.2760718842831154 eV
minimum distance =  2.26981916376637 Angstroms
sigma value = 7


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

Energy: 2.46580826791925
Energy: 1.9740607013518883
Energy: 1.4697078662828187
Energy: 1.5753083344250773
Energy: 1.4461924890378939
Energy: 1.8248148006715987
Energy: 1.3001184008207078
Energy: 1.8248148006724054
Energy: 1.2751486035231439
Energy: 1.8816885146314761
Energy: 1.4418508358816609
Energy: 1.8816885146306697
Energy: 1.2791111196697174
Energy: 1.5462941197082771
Energy: 1.3373699687849145
Energy: 1.5462941197026319
Energy: 1.3180488223229694
Energy: 1.3156988717845328
Energy: 1.362309449559246
Energy: 1.3156988717837264
Energy: 1.3446913869303287
Energy: 1.5550053354918343
Energy: 1.3608413066319376
Energy: 1.5550053354910278
Energy: 1.436663529225524
Energy: 1.5857671533507975
Energy: 1.3482779977867179
Energy: 1.5857671533499913
Energy: 1.5575351572592484
Energy: 1.3155123763702015
Energy: 1.3164314977603693
Energy: 1.3155123763685885
Energy: 1.39550853741279
Energy: 1.4340629661728137
Energy: 1.4312234774910122
Energy: 1.434062966172007
Energy: 1.354148881492749
Energy: 1.8900695321232124
Energy: 1.2736439438768132
Energy: 1.8900695321248253
Energy: 1.3008847124760607
Energy: 1.2636419231106768
Energy: 1.537992356730157
Energy: 1.2636419231090639
Energy: 1.3692437468273764
Energy: 1.264053023917356
Energy: 1.5536808559034585
Energy: 1.264053023917356
Energy: 1.3134140443688316
Energy: 1.8354130972470573
Energy: 1.2962087900346035
Energy: 1.8354130972478273
Energy: 1.3078544595425863
Energy: 1.8920980584784706
Energy: 1.2587145386284535
Energy: 1.8920980584784706
Energy: 1.4110024422042562
Energy: 1.7808865195576957
Energy: 1.2666445878026105
Energy: 1.780886519555276
Energy: 1.7460016876772002
Energy: 1.2634868794638134
Energy: 1.2663691115066515
Energy: 1.2634868794622005
Energy: 1.7544666496280725
Energy: 1.832371961436391
Energy: 1.3022117151276473
Energy: 1.8323719614371976
Energy: 1.27455798861114
Energy: 1.8883360232592266
Energy: 1.6685882136268406
Energy: 1.8883360232640654
Energy: 1.3202851388763877
Energy: 1.2767203652781918
Energy: 1.3833502680556262
Energy: 1.2767203652789982
Energy: 1.315665979505137
Energy: 1.3159180706309308
Energy: 1.5248924549487022
Energy: 1.3159180706317373
Energy: 1.3481615607462878
Energy: 1.5786873127937446
Energy: 1.372609320556356
Energy: 1.5786873127985834
Energy: 1.4405931760933002
Energy: 1.555367729346605
Energy: 1.3443736384520557
Energy: 1.5553677293474113
Energy: 1.4375158011589915
Energy: 1.316481795760825
Energy: 1.2827964424738172
Energy: 1.3164817957592123
Energy: 1.3931146856383327
Energy: 1.4651301696677785
Energy: 1.2797381047972072
Energy: 1.465130169670198
Energy: 1.3535934550572994
Energy: 1.9353453294659806
Energy: 1.270655059251443
Energy: 1.935345329465174
Energy: 1.3542121249557215
Energy: 1.8246411071086943
Energy: 1.2945010546073095
Energy: 1.8246411071086943
Energy: 1.253980196273207
Energy: 1.4626412917892915
Energy: 2.154606201825358
Energy: 1.4626412917909044
Energy: 1.3166031575000983
Energy: 1.8179034290702365
Energy: 1.2943103723290923
Energy: 1.8179034290702365
Energy: 1.3084586064842867
Energy: 1.7798309093048312
Energy: 1.3123554324243953
Energy: 1.7798309093032183
Energy: 1.309080282955463
Energy: 1.5724377571350632
Energy: 1.3575113784009667
Energy: 1.5724377571688992
Energy: 1.7454188126726964
Energy: 1.264014501639765
Energy: 1.2631913001528938
Energy: 1.2640145016413782

minimum gb energy = 1.253980196273207 eV
minimum distance =  2.26700599448011 Angstroms
sigma value = 29


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

Energy: 1.4742985112902223
Energy: 1.4730117495211348
Energy: 1.338324106172302
Energy: 1.4469501224699974
Energy: 1.078686850321359
Energy: 1.6365441233961115
Energy: 1.0866956931521312
Energy: 1.6365441233955498
Energy: 1.0881035633756069
Energy: 1.6395663308044464
Energy: 1.339892261061217
Energy: 1.6395663308044464
Energy: 1.0830582780367375
Energy: 1.0886649883707078
Energy: 1.0869658494312728
Energy: 1.0886649883707078
Energy: 1.0872079517927944
Energy: 1.5893026234096537
Energy: 1.0773048109254666
Energy: 1.5893026234099035
Energy: 1.0864933169315596
Energy: 1.1755244096976871
Energy: 1.0773948180351547
Energy: 1.1755244096976871
Energy: 1.3406947694666156
Energy: 1.2179609938425395
Energy: 1.087003300898268
Energy: 1.2179609938422584
Energy: 1.0869481954147642
Energy: 1.0889147830392911
Energy: 1.0797048406191383
Energy: 1.088914783039572
Energy: 1.0778447403370808
Energy: 1.2167856087288318
Energy: 1.2755631939122527
Energy: 1.2167856087277393

minimum gb energy = 1.0773048109254666 eV
minimum distance =  2.31701190991541 Angstroms
sigma value = 5


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

Energy: 1.9306912937491798
Energy: 1.1167676871983971
Energy: 1.400795638080115
Energy: 1.10201771218155
Energy: 1.4838864379212617
Energy: 1.3726478003242342
Energy: 1.3171528946044953
Energy: 1.3726478004841491
Energy: 1.3725599230740069
Energy: 1.5107270888859379
Energy: 1.3266563336081305
Energy: 1.5107270888866997
Energy: 1.2077209274647682
Energy: 1.7256676540896716
Energy: 1.4877680465912135
Energy: 1.7256676540919569
Energy: 1.3052786893126334
Energy: 1.0876439861930671
Energy: 1.5321737516967147
Energy: 1.0876439861930671
Energy: 1.1037301060835105
Energy: 1.088051171901895
Energy: 1.5378089890669837
Energy: 1.088051171901895
Energy: 1.1609617219169905
Energy: 1.2806197422977554
Energy: 1.5091776334579725
Energy: 1.2806197422977554
Energy: 1.1629803051848455
Energy: 1.5665142185941499
Energy: 1.537809642042938
Energy: 1.5665142185956737
Energy: 1.4829848060119288
Energy: 1.7306903869816812
Energy: 1.5475453743102074
Energy: 1.7306903869786339
Energy: 1.657632071146686
Energy: 1.433270038407223
Energy: 1.120031888284204
Energy: 1.4332700384056996
Energy: 1.4825949012912965
Energy: 1.1456579160181968
Energy: 1.2008361165469936
Energy: 1.1456579160189586
Energy: 1.6934679093778668
Energy: 1.0975028005409768
Energy: 1.1520096750360935
Energy: 1.0975028005409768
Energy: 1.700858852643568
Energy: 1.4338551739857217
Energy: 1.4771913838485449
Energy: 1.4338551739864835
Energy: 1.4590657122051667
Energy: 1.7435355198473388
Energy: 1.4530864423732843
Energy: 1.7435355198481006
Energy: 1.158702826425926
Energy: 1.318178140611354
Energy: 1.4485212661519036
Energy: 1.318178140614401
Energy: 1.1991168693796543
Energy: 1.0856257407284222
Energy: 1.4935461284010967
Energy: 1.085625740726137
Energy: 1.1059014703494208
Energy: 1.1006382424064727
Energy: 1.4852897571882613
Energy: 1.10063824240114
Energy: 1.314386753066739
Energy: 1.36988071515585
Energy: 1.4828013071302573
Energy: 1.3698807151817523
Energy: 1.3120533218998274
Energy: 1.651582674655112
Energy: 1.3688650651164134
Energy: 1.6515826750601974
Energy: 1.4382927117362125
Energy: 1.7290423471281346
Energy: 1.2066711425132608
Energy: 1.7290423471243257
Energy: 1.530722640081551
Energy: 1.089209627748961
Energy: 1.322981544393522
Energy: 1.0892096277481993
Energy: 1.532168926773011
Energy: 1.0984574407505483
Energy: 1.1043835245624547
Energy: 1.098457440752834
Energy: 1.5075931244177367
Energy: 1.206868706561105
Energy: 1.1589171945002226
Energy: 1.206868706561105
Energy: 1.5358268745546182
Energy: 1.5279079948845848
Energy: 1.1600535935888516
Energy: 1.5279079948868703
Energy: 1.5493834730166716
Energy: 1.730963975961362
Energy: 1.4831485720897002
Energy: 1.7309639759621238
Energy: 1.1261530831571116
Energy: 1.43315639954424
Energy: 1.6564193458334406
Energy: 1.4331563995427163
Energy: 1.1459576817645245
Energy: 1.1453793557715422
Energy: 1.482653571611746
Energy: 1.1453793557662093
Energy: 1.1532133734871846
Energy: 1.1498771091913624
Energy: 1.4893422910739103
Energy: 1.1498771091898388
Energy: 1.423243807775548
Energy: 1.4338036228560884
Energy: 1.717864470257765
Energy: 1.4338036228591358
Energy: 1.4505769685725514
Energy: 1.741717446171309
Energy: 1.460291692582091
Energy: 1.7417174461720706
Energy: 1.4514020592892338
Energy: 1.0967109323679998
Energy: 1.1678273118955806
Energy: 1.0967109323679998
Energy: 1.4933735312959475
Energy: 1.0865443935983137
Energy: 1.1444801777521656
Energy: 1.0865443935990755
Energy: 1.4850744314697069
Energy: 1.0992537827285003
Energy: 1.106199374126789
Energy: 1.0992537827277382

minimum gb energy = 1.085625740726137 eV
minimum distance =  2.26386590319022 Angstroms
sigma value = 1


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

Energy: 1.7254649295802926
Energy: 1.0529518738572585
Energy: 1.0257179417237765
Energy: 1.028427298634705
Energy: 1.5914256907598774
Energy: 1.4227575198531675
Energy: 1.3563057466381054
Energy: 1.4227575198468474
Energy: 1.4409847458224407
Energy: 1.5730744390956883
Energy: 1.3482884000257143
Energy: 1.5730744390914748
Energy: 1.2041573855793588
Energy: 1.4505694748695777
Energy: 1.3353886180900443
Energy: 1.4505694748695777
Energy: 1.3182326753681737
Energy: 1.025701481473108
Energy: 1.5971286152979287
Energy: 1.0257014814720544
Energy: 1.0282252886674759
Energy: 1.0256313715294054
Energy: 1.6229781994226185
Energy: 1.0256313715294054
Energy: 1.1572652152025689
Energy: 1.048070200790376
Energy: 1.6123392583322225
Energy: 1.048070200790376
Energy: 1.1036098849938099
Energy: 1.5542340629799685
Energy: 1.653245724426719
Energy: 1.554234061412194
Energy: 1.6365621342154504
Energy: 1.442156380283447
Energy: 1.6577006143071298
Energy: 1.442156380283447
Energy: 1.4807391513497374
Energy: 1.492251890919345
Energy: 1.0394277147771616
Energy: 1.4922518909161848
Energy: 1.6264069397161907
Energy: 1.1491600107173574
Energy: 1.0468067728552786
Energy: 1.1491600107205175
Energy: 1.8936169464061992
Energy: 1.0294651884398052
Energy: 1.0486014265884938
Energy: 1.0294651884408585
Energy: 1.661224357756756
Energy: 1.027428964367609
Energy: 1.18167567430047
Energy: 1.0274289643655024
Energy: 1.5763164950481348
Energy: 1.5680703840038137
Energy: 1.352099902415965
Energy: 1.5680703840038137
Energy: 1.2022679178683815
Energy: 1.1327479688731739
Energy: 1.3406461293102554
Energy: 1.1327479688731739
Energy: 1.1932754440969382
Energy: 1.44249248431124
Energy: 1.5842793751642357
Energy: 1.4424924843091333
Energy: 1.0489610632811877
Energy: 1.0269014715437674
Energy: 1.6235167528441719
Energy: 1.026901471542714
Energy: 1.060428722953777
Energy: 1.0382845872772328
Energy: 1.627540514323735
Energy: 1.0382845872782862
Energy: 1.158189748383934
Energy: 1.0444588078467179
Energy: 1.6566610553711396
Energy: 1.0444588078446113
Energy: 1.1098021106831193
Energy: 1.5546412046363145
Energy: 1.651579270168547
Energy: 1.5546412046363145
Energy: 1.5451424163583543
Energy: 1.7768056228018225
Energy: 1.5879197693003846
Energy: 1.7768056228028757
Energy: 1.4401503460179885
Energy: 1.0265398348936816
Energy: 1.039669622039939
Energy: 1.026539834894735
Energy: 1.5955705638049766
Energy: 1.045789138676606
Energy: 1.0483937376606054
Energy: 1.045789138676606
Energy: 1.6599580247649157
Energy: 1.0283332109498085
Energy: 1.0294976990533988
Energy: 1.0283332109498085

minimum gb energy = 1.0256313715294054 eV
minimum distance =  2.26041337202702 Angstroms
sigma value = 17


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

Energy: 1.8274474693067617
Energy: 1.0397722285526398
Energy: 1.356651973555752
Energy: 1.035675035792272
Energy: 1.689167694616635
Energy: 1.2897969685868453
Energy: 1.2462306109616827
Energy: 1.2897969685842412
Energy: 1.5145523710793611
Energy: 1.5201380971869218
Energy: 1.2849548798722976
Energy: 1.520138097188224
Energy: 1.5080012685538182
Energy: 1.7824936899228256
Energy: 1.3209778073746745
Energy: 1.7824936899254296
Energy: 1.5759144026038592
Energy: 1.0389593471963805
Energy: 1.7198702497766456
Energy: 1.0389593472653331
Energy: 1.0566087029999842
Energy: 1.0295975268946502
Energy: 1.757428601673805
Energy: 1.0295975268900928
Energy: 1.0525160785403955
Energy: 1.0486449764846837
Energy: 1.6932363240791475
Energy: 1.0486449764846837
Energy: 1.0665125474708408
Energy: 1.0377126450920042
Energy: 1.813696755770372
Energy: 1.0377126450894
Energy: 1.6202113065138846
Energy: 1.0541077137483117
Energy: 1.7025353039274134
Energy: 1.0541077138394006
Energy: 1.41726714363329
Energy: 1.8190818175407988
Energy: 1.2694127332250935
Energy: 1.8190818175414496
Energy: 1.6012889147138112
Energy: 1.4017618383225425
Energy: 1.2103487675542595
Energy: 1.4017618391939526
Energy: 1.754924201828115
Energy: 1.0372690263231479
Energy: 1.2469662145064304
Energy: 1.0372690263185906
Energy: 1.767656613357452
Energy: 1.0351153709164191
Energy: 1.0416446155041958
Energy: 1.0351153709164191
Energy: 1.7206985396864094
Energy: 1.11492013309514
Energy: 1.0840210417446738
Energy: 1.114920133095791
Energy: 1.5061261973453808
Energy: 1.0458257146029808
Energy: 1.0834561212880494
Energy: 1.0458257146003767
Energy: 1.801646676396864
Energy: 1.8747679475307815
Energy: 1.7277228583684716
Energy: 1.8747679475301302
Energy: 1.1125432632840908
Energy: 1.3684720409066462
Energy: 1.6844726312569147
Energy: 1.3684720402578385
Energy: 1.103282852194603
Energy: 1.2584084189242117
Energy: 1.7326743560907625
Energy: 1.2584084189281182
Energy: 1.055605598181149
Energy: 1.0384887040010409
Energy: 1.7018123385458734
Energy: 1.03848870400039
Energy: 1.1706519863265186
Energy: 1.0379961599329781
Energy: 1.8596457652988934
Energy: 1.0379961599323273
Energy: 1.3191727731248497
Energy: 1.2907807441196375
Energy: 1.7328065006299787
Energy: 1.2907807441027692
Energy: 1.317416422606057
Energy: 1.6821877098138487
Energy: 1.5097209619821956
Energy: 1.682187709810593
Energy: 1.417264516090217
Energy: 1.7417790454069662
Energy: 1.5062473159298897
Energy: 1.7417790454076174
Energy: 1.7190631295586054
Energy: 1.044807799689478
Energy: 1.3965010680265506
Energy: 1.044807799690129
Energy: 1.7538260879999834
Energy: 1.0298380755336547
Energy: 1.0447330006332758
Energy: 1.0298380755349568
Energy: 1.6920093068338558
Energy: 1.0460202123506703
Energy: 1.0629700807458293
Energy: 1.0460202123513214
Energy: 1.7973368413854454
Energy: 1.0369118653986613
Energy: 1.073255048244602
Energy: 1.0369118653954061
Energy: 1.7000101734348767
Energy: 1.7177992092171797
Energy: 1.617570638665174
Energy: 1.7177992092204348
Energy: 1.2742457537966627
Energy: 1.9062743310613892
Energy: 1.3216555011951718
Energy: 1.9062743310600871
Energy: 1.1815804295533572
Energy: 1.3751916755625928
Energy: 1.5981502063832538
Energy: 1.3751916754623892
Energy: 1.247427739499732
Energy: 1.0421996659605253
Energy: 1.8200735828965562
Energy: 1.0421996659624786
Energy: 1.0524778803371961
Energy: 1.041464322376725
Energy: 1.819698612367141
Energy: 1.0414643223819335
Energy: 1.1134487410951108
Energy: 1.0990301512800187
Energy: 1.7218913585075226
Energy: 1.099030151282623
Energy: 1.0860268531123358
Energy: 1.0452309275079916
Energy: 1.5086492805507203
Energy: 1.0452309275060383
Energy: 1.7326291835142298
Energy: 1.8175793814940677
Energy: 1.8093630787002468
Energy: 1.8175793814934167
Energy: 1.7216274184579439
Energy: 1.3894158523138027
Energy: 1.1105646533816345
Energy: 1.389415852319011
Energy: 1.7294560017833391
Energy: 1.2552447916115113
Energy: 1.1398930775511924
Energy: 1.2552447916147667
Energy: 1.7043286484085844
Energy: 1.0254240926678981
Energy: 1.0330018534261824
Energy: 1.025424092666596

minimum gb energy = 1.025424092666596 eV
minimum distance =  2.2647151368441 Angstroms
sigma value = 89


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

Energy: 2.598544828108469
Energy: 1.7536568492919904
Energy: 0.9419163367489393
Energy: 1.4747845859117457
Energy: 1.8704637065079894
Energy: 1.4122535408793375
Energy: 1.4413800572517874
Energy: 1.4122535408793375
Energy: 1.1767062753619923
Energy: 1.6582823735801484
Energy: 1.4577072474237593
Energy: 1.6582823735784449
Energy: 1.2923574280909376
Energy: 1.375877848611737
Energy: 1.4140567013446328
Energy: 1.375877848616847
Energy: 1.438510473158481
Energy: 1.320434364922576
Energy: 1.7361681388158494
Energy: 1.320434364922576
Energy: 1.1950966451539027
Energy: 1.2964269430811606
Energy: 1.7340121634009602
Energy: 1.2964269430811606
Energy: 1.2367424540092296
Energy: 1.308212805721947
Energy: 1.8228218050273006
Energy: 1.3082128057202436
Energy: 1.2014273215607678
Energy: 1.9793655040799236
Energy: 1.8881027224834293
Energy: 1.9793655040816267
Energy: 1.7010803172789672
Energy: 1.4069207109614088
Energy: 1.8894946463986697
Energy: 1.4069207109614088
Energy: 1.6611252389171165
Energy: 1.809513127738265
Energy: 0.949556598072649
Energy: 1.8095131277365615
Energy: 1.6536536957581094
Energy: 1.3875265770394811
Energy: 1.3012823980195103
Energy: 1.3875265770377774
Energy: 1.8433858197484527
Energy: 1.367849561445888
Energy: 0.9675313162685414
Energy: 1.367849561445888
Energy: 1.7380156458587335
Energy: 1.3749305161699124
Energy: 0.9749468218531049
Energy: 1.3749305161699124
Energy: 1.8708399311244674
Energy: 1.0271997940196487
Energy: 1.0105132098411913
Energy: 1.027199794017945
Energy: 1.8892358157340599
Energy: 1.404150660790399
Energy: 0.9790636360169629
Energy: 1.4041506607921026

minimum gb energy = 0.9419163367489393 eV
minimum distance =  2.22931369286205 Angstroms
sigma value = 13


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

Energy: 2.012735001524588
Energy: 0.9190515634434103
Energy: 1.2002638693274243
Energy: 0.8512678327375429
Energy: 2.0442256013355555
Energy: 1.1184774547652028
Energy: 1.085107479269487
Energy: 1.1184774547637748
Energy: 1.706884192444947
Energy: 1.1493541136305658
Energy: 1.1412131930936749
Energy: 1.1493541136319938
Energy: 1.3888368243701597
Energy: 1.297948809497692
Energy: 1.238513555935408
Energy: 1.2979488094941218
Energy: 1.2420308528712036
Energy: 1.7131529998709358
Energy: 1.6041480371784942
Energy: 1.7131529998695079
Energy: 1.1155148805194866
Energy: 1.5811956906171607
Energy: 1.6062915881926798
Energy: 1.5811956906193028
Energy: 1.1317580980900737
Energy: 1.1734729725611182
Energy: 1.4042101691276967
Energy: 1.173472972556834
Energy: 1.099024669044232
Energy: 0.8511368440674183
Energy: 2.0378487797905738
Energy: 0.8511368440702742
Energy: 0.9064352056679609
Energy: 0.8470397560839291
Energy: 2.014697584701126
Energy: 0.8470397560846431
Energy: 0.9230424859799963
Energy: 0.9150901655837861
Energy: 1.7827741509292079
Energy: 0.9150901655837861
Energy: 0.8843019304289047
Energy: 1.5616587080380924
Energy: 1.7918967762910056
Energy: 1.561658708042376
Energy: 1.4535903280389029
Energy: 1.5597579490514513
Energy: 1.7831023184207209
Energy: 1.5597579490528795
Energy: 1.5122482333075036
Energy: 1.6198612592583286
Energy: 1.4904141813492449
Energy: 1.6198612592576795
Energy: 1.4699668894580789
Energy: 1.6355627212284172
Energy: 1.3790415683752961
Energy: 1.635562721230559
Energy: 1.8881677838560558
Energy: 1.3045732904793366
Energy: 1.2372762001334576
Energy: 1.3045732904786222
Energy: 1.8888052718955863
Energy: 0.9153468324219853
Energy: 0.9200127381194746
Energy: 0.9153468324255553
Energy: 1.8378476700551676
Energy: 0.9285529356138438
Energy: 0.9413773515109178
Energy: 0.9285529356145578
Energy: 1.8392403530212145
Energy: 0.8535797952358104
Energy: 0.8994805269982447
Energy: 0.8535797952386663
Energy: 2.0121772466993373
Energy: 1.1166884811882973
Energy: 1.0985306281225882
Energy: 1.1166884811918671
Energy: 1.6647219428486322
Energy: 1.221902419221574
Energy: 1.12820457958849
Energy: 1.221902421125682
Energy: 1.4171283810508672
Energy: 1.296895376460964
Energy: 1.0952540278421832
Energy: 1.2968953764659619
Energy: 1.2411589835139016
Energy: 1.7226447633891808
Energy: 1.5795754400096984
Energy: 1.7226447633927506
Energy: 1.1130794839540012
Energy: 1.7465148268939041
Energy: 1.6050638887504414
Energy: 1.7465148268939041
Energy: 0.9564644179972479
Energy: 1.1937855685222751
Energy: 1.4052088504054077
Energy: 1.1937855685287013
Energy: 1.1063485488185703
Energy: 0.8506673158684352
Energy: 1.9549736702388614
Energy: 0.8506673158670072
Energy: 0.875221116434685
Energy: 0.8626824132221996
Energy: 1.9513776874283786
Energy: 0.8626824132193437
Energy: 0.9349056895043449
Energy: 0.9177706211854499
Energy: 1.7874572994024234
Energy: 0.9177706211847358
Energy: 0.8986405951839234
Energy: 1.317021664700745
Energy: 1.8367577887027822
Energy: 1.3170216647021733
Energy: 1.2719808085153266
Energy: 1.5573612886262092
Energy: 1.9638069824710853
Energy: 1.5573612886262092
Energy: 1.1803236077985355
Energy: 1.5977906813252654
Energy: 1.4839301719203952
Energy: 1.5977906813252654
Energy: 1.478724696825665
Energy: 1.5567796030902235
Energy: 1.368613718067795
Energy: 1.5567796031009336
Energy: 1.7863297141485495
Energy: 0.8504099428245898
Energy: 1.2580828537178184
Energy: 0.8504099427168407
Energy: 1.8883003789171504
Energy: 0.8511287366379146
Energy: 0.9270787113214235
Energy: 0.8511287366379146
Energy: 1.8499639483184147
Energy: 0.9083697549076003
Energy: 0.9596307726458806
Energy: 0.9083697549076003
Energy: 2.0648534473524016
Energy: 0.8727855704946512
Energy: 0.9126349289707723
Energy: 0.8727855704946512

minimum gb energy = 0.8470397560839291 eV
minimum distance =  2.28025910478496 Angstroms
sigma value = 37


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

Energy: 1.9319593068777237
Energy: 0.8826630168114553
Energy: 0.6921040508235201
Energy: 0.6894880178168555
Energy: 2.0579094501962922
Energy: 1.2101922607327567
Energy: 1.1554616248232255
Energy: 1.2101922607327567
Energy: 1.6564982675375486
Energy: 1.3650309495395254
Energy: 1.1792916583925315
Energy: 1.3650309495395254
Energy: 1.6666146754888513
Energy: 1.5943416495998655
Energy: 1.2512924808775316
Energy: 1.594341649598637
Energy: 1.5550818121142345
Energy: 1.540934412112305
Energy: 1.457644952678887
Energy: 1.540934412112305
Energy: 1.0340996758587828
Energy: 1.5522040370899177
Energy: 1.5509286419451218
Energy: 1.5522040370899177
Energy: 1.0576098540493113
Energy: 1.0704936665869809
Energy: 1.413327207441101
Energy: 1.0704936665869809
Energy: 1.070973527210941
Energy: 1.0357564449315146
Energy: 1.9726795598329925
Energy: 1.0357564449315146
Energy: 0.9809854372452967
Energy: 0.9847371967359794
Energy: 1.9527792941943873
Energy: 0.9847371967359794
Energy: 1.0080405682361193
Energy: 1.0439028309883487
Energy: 2.000421344567843
Energy: 1.0439028309895768
Energy: 0.9388726178327019
Energy: 1.270785511550323
Energy: 1.7990927660472762
Energy: 1.270785511550323
Energy: 1.34897665154902
Energy: 1.4159756412532523
Energy: 1.998448350943152
Energy: 1.4159756412532523
Energy: 1.3504928335082833
Energy: 1.4093186871744399
Energy: 1.6566736686904122
Energy: 1.4093186871744399
Energy: 1.4324376788982658
Energy: 1.5043554994519799
Energy: 1.6668293671567826
Energy: 1.5043554994519799
Energy: 1.4576449526801156
Energy: 1.43396343048872
Energy: 1.4098761299260387
Energy: 1.43396343048872
Energy: 1.5509286420494806
Energy: 1.553321397776585
Energy: 0.9989491516299915
Energy: 1.553321397776585
Energy: 1.5559202532977714
Energy: 1.1787292618089513
Energy: 1.0598921202832499
Energy: 1.1787292618089513
Energy: 1.9726795598329925
Energy: 0.7348355039407991
Energy: 0.8924576532579024
Energy: 0.7348355039297434
Energy: 1.9527792941943873
Energy: 0.9363898108986701
Energy: 0.8146006353801443
Energy: 0.9363898108986701
Energy: 1.8497273283393174
Energy: 0.8270859829352041
Energy: 0.789309489091193
Energy: 0.8270859829352041

minimum gb energy = 0.6894880178168555 eV
minimum distance =  2.27140271328607 Angstroms
sigma value = 25


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

Energy: 1.758916827838052
Energy: 0.589557271563327
Energy: 0.5666011945810147
Energy: 0.5523938832842981
Energy: 1.5990937154309441
Energy: 1.005567475262581
Energy: 0.9423370441163321
Energy: 1.0055674752616217
Energy: 1.7354543246562664
Energy: 1.022864622938275
Energy: 0.9560675932149676
Energy: 1.0228646254858111
Energy: 1.4141508900015143
Energy: 1.0410058153408965
Energy: 1.4831923179108608
Energy: 1.0410058153811403
Energy: 1.6838138407964962
Energy: 1.391433906890267
Energy: 1.4951234241138158
Energy: 1.3914339068883486
Energy: 1.2754725779438452
Energy: 1.4507173900170138
Energy: 1.5039292933782753
Energy: 1.4507173900170138
Energy: 1.247038143364929
Energy: 1.3940282513264375
Energy: 1.639142200303093
Energy: 1.3940282513264375
Energy: 1.4517051547228563
Energy: 1.0600848923857051
Energy: 1.5013532617609229
Energy: 1.0600848924020119
Energy: 0.9579650053806862
Energy: 1.0626212131079846
Energy: 1.6220708028925372
Energy: 1.0626212131060662
Energy: 0.9500846785882735
Energy: 0.9989778218442115
Energy: 1.64547027922883
Energy: 0.9989778218442115
Energy: 0.586629501322771
Energy: 0.5571304041224224
Energy: 1.5846537006047303
Energy: 0.5571304041262594
Energy: 0.6590247460259687
Energy: 0.6689144248142782
Energy: 1.6460641847095179
Energy: 0.6689144248123597
Energy: 0.6746436286732964
Energy: 0.6370930662436999
Energy: 1.5890456272997526
Energy: 0.6370930662436999
Energy: 0.9152519184295956
Energy: 0.6085689238789599
Energy: 1.7590223749727598
Energy: 0.6085689238780007
Energy: 0.9502348744139016
Energy: 1.027026223317773
Energy: 1.5881288237218485
Energy: 1.0270262233196914
Energy: 0.9500373012295245
Energy: 1.0672252438486578
Energy: 1.7574525602826483
Energy: 1.0672252438467393
Energy: 1.4745247815219689
Energy: 1.064867804765734
Energy: 1.750908896979446
Energy: 1.0648678047666933
Energy: 1.0492908467416968
Energy: 1.3892388784722032
Energy: 1.6802779043189817
Energy: 1.3892388784741212
Energy: 1.4719886740460317
Energy: 1.3934624592342193
Energy: 1.2481956019918934
Energy: 1.3934624592351785
Energy: 1.6425229283090952
Energy: 1.395577199961061
Energy: 1.2764358360043022
Energy: 1.3955771999601019
Energy: 1.5281069324945376
Energy: 1.0389081717364899
Energy: 0.8962914802805101
Energy: 1.0389081717336122
Energy: 1.6344480203285796
Energy: 1.0694858848140163
Energy: 0.7118056115903127
Energy: 1.0694858848149755
Energy: 1.9670143338219592
Energy: 0.988954135333047
Energy: 0.9123802397919399
Energy: 0.988954135333047
Energy: 1.6715993696145763
Energy: 0.582628947708596
Energy: 0.5957642904231596
Energy: 0.5826289477076366
Energy: 1.6188547290775213
Energy: 0.6523964080197128
Energy: 0.6951055967182301
Energy: 0.6523964080216312
Energy: 1.765479160652013
Energy: 0.6295218549367121
Energy: 0.6408837063519655
Energy: 0.6295218549367121

minimum gb energy = 0.5523938832842981 eV
minimum distance =  2.27295144689479 Angstroms
sigma value = 41


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

Energy: 1.7968216728951676
Energy: 0.5334487265513632
Energy: 0.6073274101208292
Energy: 0.6067500948548604
Energy: 1.8221724873984726
Energy: 0.8853900981927341
Energy: 0.8452149384378308
Energy: 0.8853900981935205
Energy: 1.854757150379689
Energy: 0.9421348962075918
Energy: 0.8482656335170274
Energy: 0.9421348962083783
Energy: 1.5134056832297342
Energy: 0.9144473436122981
Energy: 1.2870313487883964
Energy: 0.914447343613871
Energy: 1.8316290111411593
Energy: 1.234279469839499
Energy: 1.3012436062564268
Energy: 1.2342794698379262
Energy: 1.5177320971320856
Energy: 1.2910965175264708
Energy: 1.312655995198373
Energy: 1.291096517527257
Energy: 1.5091347893826037
Energy: 1.28474552526368
Energy: 1.6429916283727386
Energy: 1.2847455252628934
Energy: 1.684123764683634
Energy: 1.3152052944578412
Energy: 1.3679236215582242
Energy: 1.3152052944594141
Energy: 1.1107833009846204
Energy: 1.2980121629861174
Energy: 1.6505760379503605
Energy: 1.2980121629869037
Energy: 1.1101928286008191
Energy: 1.2336877974496094
Energy: 1.945796485278651
Energy: 1.233687797450396
Energy: 0.782527063269745
Energy: 0.8899568100851083
Energy: 1.705172548723938
Energy: 0.8899568100882539
Energy: 0.8492233990124081
Energy: 0.9448414655407543
Energy: 1.786384835036431
Energy: 0.9448414655407543
Energy: 0.8374855670174186
Energy: 0.883443896868227
Energy: 2.0302192845228095
Energy: 0.8834438968642949
Energy: 0.529564921605783
Energy: 0.5174276175046477
Energy: 1.7158062051239509
Energy: 0.517427617503075
Energy: 0.6038736863352789
Energy: 0.5837491543661237
Energy: 1.748150792097405
Energy: 0.583749154364551
Energy: 0.5603386251631376
Energy: 0.5558370680456552
Energy: 1.9408852622870791
Energy: 0.5558370680480145
Energy: 0.8047633072754716
Energy: 0.5374597138898355
Energy: 1.9238864321063684
Energy: 0.5374597139479583
Energy: 0.9008128780226444
Energy: 0.8938807731789133
Energy: 1.8288434150039539
Energy: 0.8938807731843468
Energy: 0.8318372339906184
Energy: 0.9299929017745119
Energy: 1.5194612643375718
Energy: 0.9299929017705798
Energy: 1.2917554680258472
Energy: 1.2276830666926555
Energy: 1.5161907097651866
Energy: 1.2276830666910825
Energy: 1.280676177486896
Energy: 1.2784310413384359
Energy: 1.6171872775151241
Energy: 1.2784310413368631
Energy: 1.2879243687031432
Energy: 1.2881304250252477
Energy: 1.5093008018821354
Energy: 1.2881304250252477
Energy: 1.65315592826922
Energy: 1.287216633476345
Energy: 1.51511181549191
Energy: 1.2872166334755586
Energy: 1.3537636401543658
Energy: 1.2860036705658506
Energy: 1.2660777132365042
Energy: 1.286003670564278
Energy: 1.640634442345565
Energy: 1.2962295088680629
Energy: 1.2009148507527037
Energy: 1.2962295088680629
Energy: 1.7173778521556047
Energy: 1.2332631670136547
Energy: 1.2863891317929947
Energy: 1.2332631670152274
Energy: 1.7162238612460865
Energy: 0.9303319552524606
Energy: 0.8091298940920408
Energy: 0.9303319552524606
Energy: 1.7739006875196015
Energy: 0.9245915612060254
Energy: 0.8497554592923997
Energy: 0.9245915614646113
Energy: 1.719389811936481
Energy: 0.5381625559085469
Energy: 0.8079298707805671
Energy: 0.5381625559085469
Energy: 1.7383731848646076
Energy: 0.530197863247971
Energy: 0.5414883912331391
Energy: 0.5301978632471847
Energy: 1.7793344802835176
Energy: 0.5803178288318426
Energy: 0.6165805624393624
Energy: 0.5803178288357745
Energy: 1.9217317403143797
Energy: 0.5352834578248865
Energy: 0.5766764326612768
Energy: 0.5352834578233138

minimum gb energy = 0.517427617503075 eV
minimum distance =  2.27593026424353 Angstroms
sigma value = 15


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

Energy: 1.677960271187356
Energy: 1.43307676059987
Energy: 0.46187847972320745
Energy: 0.5338088057559996
Energy: 1.9766022129968186
Energy: 0.7926538210183499
Energy: 0.7573672286693037
Energy: 0.792653821025012
Energy: 1.9502344598516248
Energy: 0.8468487895891312
Energy: 0.7604108576055999
Energy: 0.8468487895897974
Energy: 1.6837231687832344
Energy: 0.8114213809117446
Energy: 1.1258005553823536
Energy: 0.8114213809170743
Energy: 1.9614715014642192
Energy: 1.1165031964564
Energy: 1.153663501342354
Energy: 1.1165031964544014
Energy: 1.6649489369346941
Energy: 1.165610992090715
Energy: 1.1580066126423565
Energy: 1.1656109920940458
Energy: 1.3265307597085618
Energy: 1.1721300038703617
Energy: 1.446293850103699
Energy: 1.1721300038716944
Energy: 1.6478657027333194
Energy: 1.2106976472767426
Energy: 1.211303019896565
Energy: 1.21069764727541
Energy: 1.3255848052371597
Energy: 1.1755365115468757
Energy: 1.395381606923547
Energy: 1.1755365115442107
Energy: 1.3267628531182374
Energy: 1.173711346777244
Energy: 1.7797003291368527
Energy: 1.173711346775912
Energy: 1.1133553682741606
Energy: 1.1895969483395918
Energy: 1.5060347043339017
Energy: 1.189596948340258
Energy: 1.0767534061624378
Energy: 1.1777562338573262
Energy: 1.7809601551914054
Energy: 1.177756233855994
Energy: 1.1640899139307066
Energy: 1.1023520059731096
Energy: 1.8009430211753836
Energy: 1.1023520059737757
Energy: 0.7215487750092086
Energy: 0.814107467417195
Energy: 1.5084198567826503
Energy: 0.8141074674191936
Energy: 0.765169238114473
Energy: 0.8438098516067273
Energy: 1.9516397600351567
Energy: 0.8438098516080597
Energy: 0.7596169787329865
Energy: 0.7848729491794926
Energy: 1.883683937502292
Energy: 0.7848729491741631
Energy: 0.52186399215575
Energy: 0.4724646032030032
Energy: 1.8741774892908132
Energy: 0.47246460319967215
Energy: 0.5519110263140407
Energy: 0.5300379234476013
Energy: 1.8894624132772735
Energy: 0.5300379234456026
Energy: 0.48759377185795044
Energy: 0.4953526168274446
Energy: 1.685241615123187
Energy: 0.49535261682877696
Energy: 0.7537364822032925
Energy: 0.7623799930998679
Energy: 2.0614234653919805
Energy: 0.7623799930978694
Energy: 0.8148365616585022
Energy: 0.8376105857828702
Energy: 1.9747367311507482
Energy: 0.8376105857828702
Energy: 0.7279847181938559
Energy: 0.8278330664095032
Energy: 1.683411937447143
Energy: 0.827833066405506
Energy: 1.161148359914562
Energy: 1.1029889027371789
Energy: 1.701586214711116
Energy: 1.1029889027358464
Energy: 1.1530973298622706
Energy: 1.1735939107308644
Energy: 1.8435931150605884
Energy: 1.1735939107301983
Energy: 1.0877913986480379
Energy: 1.1999745485224103
Energy: 1.4522400460057157
Energy: 1.1999745485237425
Energy: 1.5014216839664878
Energy: 1.1773820152362375
Energy: 1.8583241583925754
Energy: 1.1773820152375698
Energy: 1.1967866062244814
Energy: 1.1832602123765088
Energy: 1.467875018078268
Energy: 1.1832602123765088
Energy: 1.5883211561928672
Energy: 1.230809270003233
Energy: 1.3336450259841333
Energy: 1.2308092700045654
Energy: 1.5034455342933921
Energy: 1.1732630960984054
Energy: 1.4387365755983095
Energy: 1.1732630960964068
Energy: 1.5083498778479805
Energy: 1.168430306537528
Energy: 1.1583264792812171
Energy: 1.1684303065361958
Energy: 2.0166901617856223
Energy: 1.1079327491220432
Energy: 1.0940603862890976
Energy: 1.1079327491247082
Energy: 1.506880016002417
Energy: 0.8369406278507396
Energy: 1.1381717896773282
Energy: 0.8369406278507396
Energy: 1.767205217806327
Energy: 0.8615601744515474
Energy: 0.7641183430993632
Energy: 0.8615601744462177
Energy: 1.9622549639784002
Energy: 0.7948425691080564
Energy: 0.7739059521512277
Energy: 0.794842569106724
Energy: 1.8569602172182818
Energy: 0.46037712728376656
Energy: 0.6999924418436161
Energy: 0.4603771272844328
Energy: 2.104852381659982
Energy: 0.531009740560235
Energy: 0.5449363108008981
Energy: 0.5310097405569041
Energy: 1.9577416265442977
Energy: 0.5308272127988216
Energy: 0.5441757640186851
Energy: 0.5308272127961569

minimum gb energy = 0.46037712728376656 eV
minimum distance =  2.27731582177774 Angstroms
sigma value = 85


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

Energy: 1.9156392651663303
Energy: 0.428785436341664
Energy: 0.3366943107809507
Energy: 0.3398098851510164
Energy: 1.8971716502428129
Energy: 0.6889493055848126
Energy: 0.6618427735545487
Energy: 0.6889493055848126
Energy: 1.8300561903614556
Energy: 0.7582690852848881
Energy: 0.6590588371585911
Energy: 0.7582690852843103
Energy: 1.5369133392651446
Energy: 0.6906074250590147
Energy: 0.9423545129035517
Energy: 0.6906074250549703
Energy: 1.9808192361411243
Energy: 0.9820678971621275
Energy: 1.0395022020578277
Energy: 0.9820678971627053
Energy: 1.5477078339267882
Energy: 1.0120446855673486
Energy: 1.0156710832613836
Energy: 1.0120446855656156
Energy: 1.5386635014141115
Energy: 1.0293862916516492
Energy: 1.2645174620727353
Energy: 1.029386291652227
Energy: 1.7725107871263666
Energy: 1.0600166516774192
Energy: 1.1989273940724283
Energy: 1.0600166516768414
Energy: 1.5389246486075931
Energy: 1.0523670608742448
Energy: 1.190724192297473
Energy: 1.0523670608742448
Energy: 1.5447685306974555
Energy: 1.0618553927961472
Energy: 1.5488792507600468
Energy: 1.061855392797303
Energy: 1.2475055390256158
Energy: 1.0838728818419838
Energy: 1.3908564401372965
Energy: 1.0838728818419838
Energy: 1.233445008237743
Energy: 1.053760937604123
Energy: 1.5205385658720019
Energy: 1.053760937604123
Energy: 1.3270012738008603
Energy: 1.0356370515690052
Energy: 1.6884667883330984
Energy: 1.0356370515690052
Energy: 0.9457856258751053
Energy: 1.0274451257414272
Energy: 1.3856261210086522
Energy: 1.0274451257408492
Energy: 1.0390101251647843
Energy: 1.0530467620499577
Energy: 1.5869828274746867
Energy: 1.0530467620493797
Energy: 0.9982276420785716
Energy: 0.9484773671611548
Energy: 1.7186256693622028
Energy: 0.9484773671605771
Energy: 0.5555895804009436
Energy: 0.5745875044927308
Energy: 1.696593190215756
Energy: 0.5745875044933086
Energy: 0.6534969347229076
Energy: 0.6144184871277778
Energy: 1.9038068334509832
Energy: 0.6144184878774159
Energy: 0.5514933186195555
Energy: 0.5451910738416894
Energy: 2.0321981656886985
Energy: 0.545191073842845
Energy: 0.5170424841600809
Energy: 0.5653234597843237
Energy: 2.0377288399798
Energy: 0.565323459783746
Energy: 0.5903551048567408
Energy: 0.580513241075388
Energy: 1.8212756236319372
Energy: 0.5805132410759658
Energy: 0.48561331428900906
Energy: 0.369358468758813
Energy: 1.7779899621731652
Energy: 0.3693584687582352
Energy: 0.7543293444370028
Energy: 0.787572969231922
Energy: 1.9492854438656821
Energy: 0.7875729692330776
Energy: 0.8438706433497788
Energy: 0.9024155644211292
Energy: 1.9350173963266832
Energy: 0.9024155644205515
Energy: 0.7038189672605427
Energy: 0.8573315379574895
Energy: 1.537794886284443
Energy: 0.8573315379563339
Energy: 0.9967861821852488
Energy: 0.9002104493745157
Energy: 1.9989056840593837
Energy: 0.9002104493745157
Energy: 0.9980435424940837
Energy: 0.9120804950377293
Energy: 1.713266616024371
Energy: 0.9120804950377293
Energy: 1.2436217027203518
Energy: 0.9062772231956671
Energy: 1.5353673967720716
Energy: 0.9062772231945114
Energy: 1.3097763224173131
Energy: 1.0369236914516806
Energy: 1.7289734905049166
Energy: 1.0369236914522586
Energy: 1.3130969209687255
Energy: 1.0525422416111423
Energy: 1.5464466553552008
Energy: 1.0525422416122978
Energy: 1.542492711247493
Energy: 1.0581118564871501
Energy: 1.2439911149423015
Energy: 1.058111856487728
Energy: 1.386632681242587
Energy: 1.058317043575699
Energy: 1.5584319088480199
Energy: 1.058317043575121
Energy: 1.5603933030430714
Energy: 1.052752224624167
Energy: 1.2306264017575756
Energy: 1.0527522246230114
Energy: 1.8823418551099778
Energy: 1.0520057091376576
Energy: 1.238465681731256
Energy: 1.0520057091370798
Energy: 1.3941416359294108
Energy: 1.0669906400377385
Energy: 1.2052361434228416
Energy: 1.066990640038894
Energy: 1.6311413558426462
Energy: 1.0451647526369006
Energy: 1.057781623695634
Energy: 1.0451647526357448
Energy: 1.8800346198438025
Energy: 0.9690653156704384
Energy: 1.0168008250765466
Energy: 0.9690653156710163
Energy: 1.6953267386030468
Energy: 0.6696691385892783
Energy: 0.5868752657831959
Energy: 0.6696691387157633
Energy: 1.80527836501178
Energy: 0.7337162114060682
Energy: 0.7123816529564936
Energy: 0.7337162114054905
Energy: 2.0404327906209527
Energy: 0.6803893878932245
Energy: 0.6253912650520561
Energy: 0.6803893878943799
Energy: 1.6982206375821434
Energy: 0.3292669840850157
Energy: 0.3978191386805227
Energy: 0.3292669840867491
Energy: 1.6987218117532914
Energy: 0.45567201453011796
Energy: 0.4696843155467363
Energy: 0.4556720145306958
Energy: 1.8766449772707399
Energy: 0.3871386889814535
Energy: 0.3731197779636068
Energy: 0.38713868898376463

minimum gb energy = 0.3292669840850157 eV
minimum distance =  2.26514459624239 Angstroms
sigma value = 113


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

Energy: 0.018620789046163502
Energy: 0.019333902144806896
Energy: 1.750249130766068
Energy: 0.5497308909487648
Energy: 0.025498196083183915
Energy: 0.08957282363241893
Energy: 1.1030211217036003
Energy: 0.08957282363286312
Energy: 0.03214265433512447
Energy: 0.052864176700379475
Energy: 1.1374109918573503
Energy: 0.05286417794413234
Energy: 0.02063715473067265
Energy: 0.09887999274799986
Energy: 1.199312838780781
Energy: 0.09887999274844406
Energy: -0.9225365689484691
Energy: 0.09169825809042659
Energy: 1.10840844025689
Energy: 0.09169825809042659
Energy: 0.03454651296437848
Energy: 0.056541791655498254
Energy: 1.13567617813789
Energy: 0.05654179165638661

minimum gb energy = -0.9225365689484691 eV
minimum distance =  2.37921325812041 Angstroms
sigma value = 1