Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.814778730273247
cohesive_energy=4.122774919192733
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013140158514061926
Energy: 0.013596493257954038
Energy: 0.4106461745680785
Energy: 0.013596493257954038
Energy: 0.013140158514061926
Energy: 0.013596493257954038
Energy: 0.013596493257954038
Energy: 2.6231481400450543
Energy: 0.013596493257954038
Energy: 2.6231481400450543
Energy: 0.013596493257954038
Energy: 2.62314814004606
Energy: 0.4106461745680785
Energy: 0.013596493257954038
Energy: 0.013140158514061926
Energy: 0.013596493257954038
Energy: 0.41064617456859576
Energy: 0.013596493257954038
Energy: 0.013596493257954038
Energy: 2.6231481400455428
Energy: 0.013596493257954038
Energy: 2.62314814004606
Energy: 0.013596493257954038
Energy: 2.6231481400455428
Energy: 0.013140158514061926
Energy: 0.013596493257954038
Energy: 0.41064617456859576
Energy: 0.013596493257436771
Energy: 0.013140158514061926
Energy: 0.013596493257954038
Energy: 0.013596493257954038
Energy: 2.623148140046577
Energy: 0.013596493257954038
Energy: 2.62314814004606
Energy: 0.013596493257954038
Energy: 2.62314814004606

minimum gb energy = 0.013140158514061926 eV
minimum distance =  2.35158308274255 Angstroms
sigma value = 1


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

Energy: 1.472145373453651
Energy: 1.5808462102489116
Energy: 1.1499600771412826
Energy: 1.580846210251402
Energy: 1.4721453734548962
Energy: 1.5808462102476666
Energy: 1.2928091427932178
Energy: 1.5731916935232515
Energy: 1.1687641594968494
Energy: 1.5731916935220065
Energy: 1.2928091427919728
Energy: 1.5731916935232515
Energy: 1.1330784223759036
Energy: 1.564884313273159
Energy: 1.412937126412624
Energy: 1.564884313273159
Energy: 1.1330784223734134
Energy: 1.564884313273159
Energy: 1.4134248470236974
Energy: 1.4478008365189037
Energy: 1.1640966424985526
Energy: 1.4478008365213937
Energy: 1.4134248470236974
Energy: 1.4478008365201487
Energy: 1.409286805588267
Energy: 1.5814458972972965
Energy: 1.4064416201999925
Energy: 1.5814458972985415
Energy: 1.409286805588267
Energy: 1.5814458972985415
Energy: 1.4125203497951062
Energy: 1.567050821708283
Energy: 1.1285884697819324
Energy: 1.5670508217107733
Energy: 1.4125203497963512
Energy: 1.5670508217107733
Energy: 1.4144946099663631
Energy: 1.5770188921988209
Energy: 1.127095662406177
Energy: 1.5770188921975756
Energy: 1.4144946099651179
Energy: 1.5770188921988209
Energy: 1.410672589701836
Energy: 1.649370143921388
Energy: 1.1712822732151418
Energy: 1.649370143922633
Energy: 1.410672589701836
Energy: 1.649370143922633
Energy: 1.4107400009823994
Energy: 1.4723285445159338
Energy: 1.1626010027965634
Energy: 1.4723285445146885
Energy: 1.4107400009848896
Energy: 1.4723285445159338
Energy: 1.4161731794187238
Energy: 1.5711332251027534
Energy: 1.1282702597409469
Energy: 1.571133225106489
Energy: 1.416173179419969
Energy: 1.5711332251015082
Energy: 1.2733991506783102
Energy: 1.5868997297788763
Energy: 1.2924554552948933
Energy: 1.586899729763935
Energy: 1.27339915067582
Energy: 1.5868997297763863
Energy: 1.166270863022807
Energy: 1.5890151903841805
Energy: 1.1661516322156533
Energy: 1.5890151903816903
Energy: 1.1662708630302778
Energy: 1.5890151903829353
Energy: 1.2923339370249858
Energy: 1.5868997297938179
Energy: 1.1313099437276242
Energy: 1.586899729783857
Energy: 1.292333937026231
Energy: 1.586899729785102
Energy: 1.128271273243831
Energy: 1.577392197754672
Energy: 1.4162745535893049
Energy: 1.577392197754672
Energy: 1.1282712732400955
Energy: 1.577392197755917
Energy: 1.1625326123409865
Energy: 1.4728673627070679
Energy: 1.4105543861812928
Energy: 1.4728673627058229
Energy: 1.1625326123011426
Energy: 1.4728673627045779
Energy: 1.1714086139527438
Energy: 1.649368987637234
Energy: 1.4106720836791327
Energy: 1.649368987637234
Energy: 1.1714086139552342
Energy: 1.649368987637234
Energy: 1.1270636689516096
Energy: 1.5748121684200327
Energy: 1.4144160531920702
Energy: 1.5748121684200327
Energy: 1.1270637868613524
Energy: 1.5748121684200327
Energy: 1.1286114002615113
Energy: 1.5668892160517807
Energy: 1.4122519319226852
Energy: 1.5668892160555161
Energy: 1.1286114002615113
Energy: 1.5668892160517807
Energy: 1.27135856585931
Energy: 1.5815706982774675
Energy: 1.4093160101049216
Energy: 1.5815706982774675
Energy: 1.2713585656166233
Energy: 1.5815706982774675
Energy: 1.1643103445470848
Energy: 1.44844289288448
Energy: 1.413944685260429
Energy: 1.4484428928770092
Energy: 1.1643103445570462
Energy: 1.4484428928807445
Energy: 1.4129036271576183
Energy: 1.564892905649706
Energy: 1.1330870076981834
Energy: 1.5648929056484613
Energy: 1.4129036271576183
Energy: 1.5648929056484613
Energy: 1.1690063282336278
Energy: 1.572164139998558
Energy: 1.293009382516964
Energy: 1.572164139999803
Energy: 1.1692407074649895
Energy: 1.5721641399910873
Energy: 1.2711668505011757
Energy: 1.5808462102489116
Energy: 1.472145373453651
Energy: 1.5808462102489116
Energy: 1.2711668345519467
Energy: 1.5808462102489116

minimum gb energy = 1.1270636689516096 eV
minimum distance =  2.25769364652952 Angstroms
sigma value = 33


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

Energy: 1.3818073014731937
Energy: 1.583146178957343
Energy: 1.1792919770316395
Energy: 1.5831461789608843
Energy: 1.3818073014335654
Energy: 1.5831461789580514
Energy: 1.2904135693730057
Energy: 1.4778288320235087
Energy: 1.3272906101269524
Energy: 1.4778288320220925
Energy: 1.290413569399886
Energy: 1.4778288320228008
Energy: 1.1993821677479948
Energy: 1.581440018079213
Energy: 1.5512683150840074
Energy: 1.581440018079213
Energy: 1.199382167751536
Energy: 1.5814400180785047
Energy: 1.3275982813963076
Energy: 1.5431794896967923
Energy: 1.3276525374172623
Energy: 1.5431794896967923
Energy: 1.3277158390088373
Energy: 1.5431794896967923
Energy: 1.3266755879413368
Energy: 1.5755106380506485
Energy: 1.5447530209182767
Energy: 1.5755106380513566
Energy: 1.3267094344913328
Energy: 1.5755106380506485
Energy: 1.344743600187465
Energy: 1.6151834024250722
Energy: 1.1780757542075333
Energy: 1.6151834024279053
Energy: 1.34474222730472
Energy: 1.6151834024271967
Energy: 1.34465992240376
Energy: 1.5735620214291375
Energy: 1.325025028596468
Energy: 1.5735620214284294
Energy: 1.3446523294017592
Energy: 1.5735620214291375
Energy: 1.1838867718247068
Energy: 1.5755250287035278
Energy: 1.4025645378242322
Energy: 1.5755250287049443
Energy: 1.183886771825415
Energy: 1.5755250287049443
Energy: 1.3272471287347438
Energy: 1.5584643612796882
Energy: 1.3458541589632778
Energy: 1.5584643612803963
Energy: 1.327282411402928
Energy: 1.5584643612803963
Energy: 1.3487730754117897
Energy: 1.5831940498185093
Energy: 1.3277661036523156
Energy: 1.583194049819926
Energy: 1.3487730754110818
Energy: 1.5831940498206343
Energy: 1.292506906876755
Energy: 1.1720204353235613
Energy: 1.3282895045173972
Energy: 1.1720204353292272
Energy: 1.292506906870381
Energy: 1.1720204353271024
Energy: 1.5600788261442275
Energy: 1.5741142097977088
Energy: 1.321587885271186
Energy: 1.5741142097977088
Energy: 1.5600788261442275
Energy: 1.574114209798417
Energy: 1.558902415250677
Energy: 1.5627159436289295
Energy: 1.2971682393118957
Energy: 1.5627159436282216
Energy: 1.558902415250677
Energy: 1.5627159436296378
Energy: 1.3356808372673252
Energy: 1.5836736090907793
Energy: 1.383251213498172
Energy: 1.5836736090907793
Energy: 1.3356808372687416
Energy: 1.5836736090914874
Energy: 1.558740136399154
Energy: 1.5752661504797325
Energy: 1.373589260381098
Energy: 1.5752661504797325
Energy: 1.558740136399154
Energy: 1.5752661504783483
Energy: 1.558866731943916
Energy: 1.6092292664337087
Energy: 1.321547514134333
Energy: 1.6092292664337087
Energy: 1.558866731943916
Energy: 1.6092292664330006
Energy: 1.5454676867104715
Energy: 1.5718307895798855
Energy: 1.3276432002637577
Energy: 1.5718307895805936
Energy: 1.5454676867111796
Energy: 1.5718307895805936
Energy: 1.553441466448884
Energy: 1.6093658489151168
Energy: 1.3721130279456508
Energy: 1.6093658489144085
Energy: 1.5534414664503005
Energy: 1.6093658489144085
Energy: 1.1848052874359978
Energy: 1.5713512698245122
Energy: 1.4023833611545904
Energy: 1.571351269823804
Energy: 1.1848052874359978
Energy: 1.5713512698252203
Energy: 1.2726643251032748
Energy: 1.5658371426353759
Energy: 1.345519178829931
Energy: 1.5658371426375004
Energy: 1.272432201797989
Energy: 1.5658371426360842
Energy: 1.5822644771890422
Energy: 1.6260592224975143
Energy: 1.1773828732786014
Energy: 1.6260592224989308
Energy: 1.5822644771883339
Energy: 1.6260592224989308
Energy: 1.2175057310292519
Energy: 1.3777669598951192
Energy: 1.3289282981187645
Energy: 1.3777669598951192
Energy: 1.2167919392270092
Energy: 1.3777669598951192
Energy: 1.3295241506419309
Energy: 1.5717041996353716
Energy: 1.5448383628633007
Energy: 1.5717041996367882
Energy: 1.3295241506419309
Energy: 1.5717041996346635
Energy: 1.5534968060279037
Energy: 1.586577844582097
Energy: 1.326808484138554
Energy: 1.5865778445828054
Energy: 1.5534968060271954
Energy: 1.5865778445828054
Energy: 1.3197719265780066
Energy: 1.59206935708096
Energy: 1.5511470993246677
Energy: 1.5920693570816682
Energy: 1.3195529601682845
Energy: 1.592069357080252
Energy: 1.3865007865960015
Energy: 1.6285421892392922
Energy: 1.2245818479634387
Energy: 1.6285421892392922
Energy: 1.3865007866045007
Energy: 1.6285421892392922
Energy: 1.3862718373159975
Energy: 1.6284591076802637
Energy: 1.1736070270389778
Energy: 1.6284591076795554
Energy: 1.3862718373167056
Energy: 1.6284591076802637
Energy: 1.3194522429207385
Energy: 1.5918659550315808
Energy: 1.5509985319640818
Energy: 1.5918659550308725
Energy: 1.3194006249009314
Energy: 1.5918659550308725
Energy: 1.5593509914376522
Energy: 1.5867297677406724
Energy: 1.32710211603668
Energy: 1.5867297677378398
Energy: 1.5593509914362358
Energy: 1.5867297677378398
Energy: 1.3295525745546144
Energy: 1.57111811460813
Energy: 1.439839795324622
Energy: 1.5711181146074216
Energy: 1.329552574553906
Energy: 1.5711181146074216
Energy: 1.2174221835490182
Energy: 1.3777669598958275
Energy: 1.3280884755241908
Energy: 1.3777669598965356
Energy: 1.2175457510819203
Energy: 1.3777669598979523
Energy: 1.5820950122355344
Energy: 1.6265456723373168
Energy: 1.1773824274379576
Energy: 1.6265456723387333
Energy: 1.5820950122355344
Energy: 1.6265456723373168
Energy: 1.2732121679286716
Energy: 1.5591443886013034
Energy: 1.3462131890662588
Energy: 1.559144388602012
Energy: 1.2725665807369952
Energy: 1.5591443886013034
Energy: 1.1847686537219282
Energy: 1.571548833167767
Energy: 1.3495165254454276
Energy: 1.571548833167767
Energy: 1.1847686537219282
Energy: 1.571548833167767
Energy: 1.5464372141693088
Energy: 1.6095957320175966
Energy: 1.3195602434428986
Energy: 1.6095957320190133
Energy: 1.5464372141700171
Energy: 1.609595732018305
Energy: 1.5454671569372178
Energy: 1.5719189278783485
Energy: 1.3274095255083753
Energy: 1.5719189278783485
Energy: 1.5454671569379261
Energy: 1.5719189278783485
Energy: 1.5587932665340454
Energy: 1.6093746825304591
Energy: 1.2527741379173116
Energy: 1.6093746825304591
Energy: 1.558793266534754
Energy: 1.6093746825318753
Energy: 1.5587440421762175
Energy: 1.575189177255384
Energy: 1.374222171116941
Energy: 1.5751891772532913
Energy: 1.5587440421769256
Energy: 1.5751891772539997
Energy: 1.335693798835774
Energy: 1.5836645255805093
Energy: 1.3832432005564974
Energy: 1.5836645255826338
Energy: 1.335693798838607
Energy: 1.5836645255812176
Energy: 1.5588732527838502
Energy: 1.5622433162335072
Energy: 1.297182663217399
Energy: 1.5622433162342155
Energy: 1.5588732527845586
Energy: 1.5622433162335072
Energy: 1.5600355380446
Energy: 1.5742860121181212
Energy: 1.2524586471418593
Energy: 1.5742860121195374
Energy: 1.5600355380446
Energy: 1.574286012120954

minimum gb energy = 1.1720204353235613 eV
minimum distance =  2.22716463497069 Angstroms
sigma value = 51


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

Energy: 1.6906845386119895
Energy: 1.6560940088156284
Energy: 1.2338144063575172
Energy: 1.6560940088123461
Energy: 1.6906845386070666
Energy: 1.6560940088353195
Energy: 1.2329869739503103
Energy: 1.4750772601602609
Energy: 1.6890137447929834
Energy: 1.4750772601602609
Energy: 1.2329869857926699
Energy: 1.475077260161902
Energy: 1.1869514936809527
Energy: 1.6557569554222422
Energy: 1.6942686648736727
Energy: 1.6557569554189604
Energy: 1.1869514936825936
Energy: 1.6557569554189604
Energy: 1.1807150101579817
Energy: 1.6149784587547544
Energy: 1.6831962729024692
Energy: 1.6149784587498317
Energy: 1.1807150101563406
Energy: 1.6149784587563956
Energy: 1.186083475697844
Energy: 1.6141209999052366
Energy: 1.6942340794096211
Energy: 1.6141209999068777
Energy: 1.186083475697844
Energy: 1.6141209999068777
Energy: 1.6667143468758492
Energy: 1.6274875721088486
Energy: 1.690434540457944
Energy: 1.6274875721104898
Energy: 1.6667143468758492
Energy: 1.6274875721121305
Energy: 1.6662172752576458
Energy: 1.614367952429634
Energy: 1.69280810644284
Energy: 1.614367952427993
Energy: 1.6662172752576458
Energy: 1.614367952429634
Energy: 1.1808907110896645
Energy: 1.614295683962212
Energy: 1.2143498076505541
Energy: 1.614295683962212
Energy: 1.1808907110896645
Energy: 1.6142956839638531
Energy: 1.665374661154983
Energy: 1.6698738485916453
Energy: 1.2136593250033816
Energy: 1.6698738485900044
Energy: 1.6653746611320097
Energy: 1.6698738485900044
Energy: 1.181791650055677
Energy: 1.6455190249283067
Energy: 1.2162989940441395
Energy: 1.6455190249299476
Energy: 1.1817916500540362
Energy: 1.6455190249315885
Energy: 1.6450946913762257
Energy: 1.1785592341394553
Energy: 1.6851566449527473
Energy: 1.1785592341394553
Energy: 1.6450946913745845
Energy: 1.1785592341378144
Energy: 1.6719298515588914
Energy: 1.6557087590259707
Energy: 1.6899077103962723
Energy: 1.6557087590259707
Energy: 1.6719298515605323
Energy: 1.6557087590276116
Energy: 1.4247050902927787
Energy: 1.4755747923970222
Energy: 1.6864519695348876
Energy: 1.4755747923953813
Energy: 1.4250516283258603
Energy: 1.4755747923953813
Energy: 1.1825807083864353
Energy: 1.6561700368315264
Energy: 1.689678301295312
Energy: 1.6561700368364494
Energy: 1.1825807083847941
Energy: 1.6561700368364494
Energy: 1.1790579741573444
Energy: 1.655823018976251
Energy: 1.6857860072413258
Energy: 1.6558230189811738
Energy: 1.179057974158985
Energy: 1.6558230189811738
Energy: 1.1841213479802604
Energy: 1.6136607355874053
Energy: 1.68790455382696
Energy: 1.6136607355857644
Energy: 1.1841213479802604
Energy: 1.6136607355857644
Energy: 1.6726624636245029
Energy: 1.644675522232207
Energy: 1.6861691130327459
Energy: 1.644675522233848
Energy: 1.672662463622862
Energy: 1.644675522232207
Energy: 1.6671575398211116
Energy: 1.6146521264761176
Energy: 1.6880096762843164
Energy: 1.6146521264744769
Energy: 1.6671575398211116
Energy: 1.6146521264744769

minimum gb energy = 1.1785592341378144 eV
minimum distance =  2.24606255236493 Angstroms
sigma value = 19


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

Energy: 1.6258740722026201
Energy: 1.6430900911144615
Energy: 1.2341325870994269
Energy: 1.643090091115435
Energy: 1.625874072201647
Energy: 1.643090091118355
Energy: 1.2882785705824051
Energy: 1.6946185884024847
Energy: 1.3572163073329606
Energy: 1.6946185884024847
Energy: 1.2882785705804585
Energy: 1.6946185884024847
Energy: 1.245904169575896
Energy: 1.6411928844083399
Energy: 1.3581080463998958
Energy: 1.6411928844083399
Energy: 1.2459041695749224
Energy: 1.6411928844083399
Energy: 1.2223803789842027
Energy: 1.6267980288376338
Energy: 1.3589189698747748
Energy: 1.6267980288376338
Energy: 1.2223803790396621
Energy: 1.6267980288376338
Energy: 1.2226665424107013
Energy: 1.6413533188067508
Energy: 1.5758505378624312
Energy: 1.6413533188067508
Energy: 1.2226665424107013
Energy: 1.6413533188067508
Energy: 1.57576442350443
Energy: 1.6414243043576486
Energy: 1.2226527879964202
Energy: 1.6414243043576486
Energy: 1.5757644235054034
Energy: 1.6414243043566752
Energy: 1.3589653548466327
Energy: 1.6268574050314462
Energy: 1.2225424713850452
Energy: 1.6268574050314462
Energy: 1.3589653548476062
Energy: 1.6268574050314462
Energy: 1.3579133658485198
Energy: 1.641275292558794
Energy: 1.2459032138098787
Energy: 1.641275292558794
Energy: 1.3579133658485198
Energy: 1.6412752925578207
Energy: 1.3572250688486105
Energy: 1.694475176773101
Energy: 1.2320051767119529
Energy: 1.6944751767721276
Energy: 1.3572250688486105
Energy: 1.694475176773101
Energy: 1.2992048082431535
Energy: 1.6430900911164081
Energy: 1.6258740722045668
Energy: 1.643090091115435
Energy: 1.2991958468393399
Energy: 1.643090091115435
Energy: 1.3572163073349073
Energy: 1.6946185884024847
Energy: 1.252526692824759
Energy: 1.6946185884024847
Energy: 1.3572163073339338
Energy: 1.6946185884024847
Energy: 1.3581080463989224
Energy: 1.641192884409313
Energy: 1.2459041695749224
Energy: 1.641192884409313
Energy: 1.3581080463998958
Energy: 1.641192884409313
Energy: 1.3589189698932467
Energy: 1.6267980288376338
Energy: 1.2223803790260572
Energy: 1.6267980288376338
Energy: 1.35891896989422
Energy: 1.6267980288366604
Energy: 1.575850537861458
Energy: 1.6413533188067508
Energy: 1.2226665424107013
Energy: 1.6413533188067508
Energy: 1.5758505378624312
Energy: 1.6413533188067508
Energy: 1.2226527879964202
Energy: 1.6414243043566752
Energy: 1.5318387049001596
Energy: 1.6414243043566752
Energy: 1.222652787995447
Energy: 1.6414243043566752
Energy: 1.2773774616986842
Energy: 1.6268574050314462
Energy: 1.3589653548466327
Energy: 1.6268574050314462
Energy: 1.2773774617025777
Energy: 1.6268574050314462
Energy: 1.2459032138098787
Energy: 1.641275292558794
Energy: 1.3579133658494933
Energy: 1.6412752925578207
Energy: 1.2459032138108521
Energy: 1.641275292558794
Energy: 1.2320046774731692
Energy: 1.694475176773101
Energy: 1.3572250688486105
Energy: 1.6944751767721276
Energy: 1.2320053250008545
Energy: 1.6944751767721276
Energy: 1.6258740722035936
Energy: 1.6430900911144615
Energy: 1.2989213539690463
Energy: 1.6430900911144615
Energy: 1.6258740722026201
Energy: 1.6430900911144615
Energy: 1.2525268294842575
Energy: 1.6946185884024847
Energy: 1.3572163073329606
Energy: 1.6946185884024847
Energy: 1.2525266939426636
Energy: 1.6946185884024847
Energy: 1.245904169575896
Energy: 1.6411928844083399
Energy: 1.3581080463969757
Energy: 1.6411928844083399
Energy: 1.245904169575896
Energy: 1.641192884409313
Energy: 1.222380379025084
Energy: 1.6267980288376338
Energy: 1.3589189698747748
Energy: 1.6267980288376338
Energy: 1.2223803789871228
Energy: 1.6267980288376338
Energy: 1.2226665424116747
Energy: 1.6413533188067508
Energy: 1.5758505378624312
Energy: 1.6413533188067508
Energy: 1.2226665424116747
Energy: 1.6413533188067508
Energy: 1.4714601348917837
Energy: 1.6414243043576486
Energy: 1.2226527879973934
Energy: 1.6414243043566752
Energy: 1.4714601348917837
Energy: 1.6414243043576486
Energy: 1.3589653548466327
Energy: 1.6268574050314462
Energy: 1.328519121808941
Energy: 1.6268574050314462
Energy: 1.3589653548466327
Energy: 1.6268574050314462
Energy: 1.3579133658475466
Energy: 1.6412752925578207
Energy: 1.2459032138108521
Energy: 1.6412752925578207
Energy: 1.3579133658485198
Energy: 1.6412752925568472
Energy: 1.3572250688486105
Energy: 1.6944751767721276
Energy: 1.2320050270317648
Energy: 1.6944751767721276
Energy: 1.3572250688486105
Energy: 1.6944751767721276
Energy: 1.2992083458042494
Energy: 1.643090091115435
Energy: 1.6258740722055403
Energy: 1.643090091115435
Energy: 1.298872327057626
Energy: 1.643090091118355
Energy: 1.3572163073339338
Energy: 1.6946185884024847
Energy: 1.2525267522249754
Energy: 1.6946185884015335
Energy: 1.3572163073339338
Energy: 1.6946185884015335
Energy: 1.3581080463979491
Energy: 1.641192884409313
Energy: 1.245904169575896
Energy: 1.641192884409313
Energy: 1.3581080463989224
Energy: 1.641192884409313

minimum gb energy = 1.2223803789842027 eV
minimum distance =  2.2375784645139 Angstroms
sigma value = 27


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

Energy: 1.236959870311709
Energy: 1.461965371685427
Energy: 1.1791054502191325
Energy: 1.4619653716916317
Energy: 1.236959870311709
Energy: 1.461965371695208
Energy: 1.1496402821348788
Energy: 1.4564793929950601
Energy: 1.1272350424187185
Energy: 1.456479392995304
Energy: 1.1496402821348788
Energy: 1.456479392995304
Energy: 1.1104978132020455
Energy: 1.5086270794147763
Energy: 1.127015872891602
Energy: 1.5086270794143157
Energy: 1.1104978132018015
Energy: 1.5086270794147763
Energy: 1.2355682567152093
Energy: 1.4593466466403024
Energy: 1.1271518647140435
Energy: 1.459346646639354
Energy: 1.2355682567159139
Energy: 1.4593466466395983
Energy: 1.1265567871551503
Energy: 1.458914106977086
Energy: 1.1157551992139343
Energy: 1.4589141069613447
Energy: 1.126556787152766
Energy: 1.458914106977086
Energy: 1.1095182236246754
Energy: 1.3145513416090961
Energy: 1.121257431789238
Energy: 1.3145513416796477
Energy: 1.1095182236239436
Energy: 1.314551341564771
Energy: 1.1111447532941254
Energy: 1.1272688454233628
Energy: 1.1276428579084654
Energy: 1.1272688454231459
Energy: 1.1111447532941254
Energy: 1.1272688454295672
Energy: 1.2356320351716434
Energy: 1.486891308157649
Energy: 1.1262259462241306
Energy: 1.486891308157649
Energy: 1.2356320351711827
Energy: 1.4868913081581365
Energy: 1.1275048218214383
Energy: 1.3335211731112873
Energy: 1.1111767146236289
Energy: 1.333521173069807
Energy: 1.1275048218219261
Energy: 1.3335211730929175
Energy: 1.1098859314690086
Energy: 1.5256676222554217
Energy: 1.109989475322869
Energy: 1.5256676222558823
Energy: 1.10988593146806
Energy: 1.5256676222554217
Energy: 1.1115820656632165
Energy: 1.3343412078272794
Energy: 1.1273052302561513
Energy: 1.3343412078003485
Energy: 1.1115820656620243
Energy: 1.3343412077426662
Energy: 1.126025723552949
Energy: 1.458938274508496
Energy: 1.2353019674837735
Energy: 1.4589382745082522
Energy: 1.1260257235524613
Energy: 1.4589382745089567

minimum gb energy = 1.1095182236239436 eV
minimum distance =  2.24974189518159 Angstroms
sigma value = 9


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

Energy: 1.4426071772524351
Energy: 1.2548906302822282
Energy: 1.2223710769587557
Energy: 1.2548906302815586
Energy: 1.442607177255115
Energy: 1.2548906302802187
Energy: 1.329858961070735
Energy: 1.5714613282243919
Energy: 1.3252552491649667
Energy: 1.5714613282250616
Energy: 1.329858961069395
Energy: 1.5714613282250616
Energy: 1.3264286244832373
Energy: 1.578234006531966
Energy: 1.3045823748531602
Energy: 1.578234006531966
Energy: 1.3264286244839072
Energy: 1.5782340065312963
Energy: 1.238258682184785
Energy: 1.569958918451981
Energy: 1.2522105888582955
Energy: 1.5699589184513114
Energy: 1.2382586821841153
Energy: 1.569958918451981
Energy: 1.2444359891581156
Energy: 1.5676101570114174
Energy: 1.254880729054499
Energy: 1.5676101570114174
Energy: 1.244435989157446
Energy: 1.5676101570114174
Energy: 1.2490855550809483
Energy: 1.3226543188145363
Energy: 1.342844318138036
Energy: 1.3226543188165465
Energy: 1.2490855550802786
Energy: 1.3226543188158761
Energy: 1.3069108181381133
Energy: 1.2272810484527303
Energy: 1.3454157904942763
Energy: 1.2272810484534
Energy: 1.307471898481975
Energy: 1.2272810484534
Energy: 1.343263396861006
Energy: 1.5771794586966836
Energy: 1.305704003471323
Energy: 1.5771794586960135
Energy: 1.3432633968616758
Energy: 1.5771794586960135
Energy: 1.306220360462924
Energy: 1.5035053897355117
Energy: 1.3497141075836545
Energy: 1.5035053897355117
Energy: 1.3062205403436855
Energy: 1.5035053897355117
Energy: 1.3555508170165402
Energy: 1.5786414024494122
Energy: 1.2177050095745103
Energy: 1.578641402450082
Energy: 1.3555508170172104
Energy: 1.578641402450082
Energy: 1.3046751596339552
Energy: 1.2171568999126223
Energy: 1.3050400320338056
Energy: 1.2171568999132927
Energy: 1.3046398107984951
Energy: 1.2171568999092732
Energy: 1.31210832269503
Energy: 1.5668363861035188
Energy: 1.312337146737574
Energy: 1.5668363861041887
Energy: 1.3121083226943602
Energy: 1.5668363861041887
Energy: 1.2305990206362203
Energy: 1.604392127870857
Energy: 1.2895310383543077
Energy: 1.604392127870857
Energy: 1.2305990206040645
Energy: 1.6043921278701871
Energy: 1.3440098319131462
Energy: 1.58977092820034
Energy: 1.2903786065347833
Energy: 1.58977092820101
Energy: 1.344021920619366
Energy: 1.58977092820101
Energy: 1.3054100904367023
Energy: 1.5773682591607527
Energy: 1.324078510841722
Energy: 1.5773682591607527
Energy: 1.3054100904353623
Energy: 1.577368259159413
Energy: 1.2720797846417493
Energy: 1.5760401080830564
Energy: 1.3122668179322905
Energy: 1.576040108084396
Energy: 1.2720786028089202
Energy: 1.576040108084396
Energy: 1.3555742144758482
Energy: 1.5809695056601154
Energy: 1.2147087505492158
Energy: 1.5809695056594455
Energy: 1.3555742144771878
Energy: 1.5809695056594455
Energy: 1.251680133556144
Energy: 1.5546851227346536
Energy: 1.302609969831298
Energy: 1.5546851227366634
Energy: 1.251680133556814
Energy: 1.5546851227359935
Energy: 1.3428959031864687
Energy: 1.5887179891632872
Energy: 1.2319742237520988
Energy: 1.588717989162617
Energy: 1.3428959031878083
Energy: 1.5887179891632872
Energy: 1.2272582089182644
Energy: 1.6303493162203158
Energy: 1.2272839544472052
Energy: 1.6303493162229952
Energy: 1.2272582089169246
Energy: 1.6303493162229952
Energy: 1.2314468419145328
Energy: 1.5883416087321731
Energy: 1.3428895791943107
Energy: 1.5883416087321731
Energy: 1.231446841905824
Energy: 1.5883416087321731
Energy: 1.3027736259637936
Energy: 1.5539340005791218
Energy: 1.2516998602948697
Energy: 1.553934000578452
Energy: 1.3027736259644636
Energy: 1.553934000578452
Energy: 1.2147679309308006
Energy: 1.580795230793708
Energy: 1.355911747333563
Energy: 1.580795230795048
Energy: 1.214767835701459
Energy: 1.580795230795048
Energy: 1.31223570558474
Energy: 1.5765837581057274
Energy: 1.2722519465524926
Energy: 1.5765837581057274
Energy: 1.3122357055834002
Energy: 1.5765837581050577
Energy: 1.3240686146334355
Energy: 1.577615658135504
Energy: 1.3054447017739574
Energy: 1.5776156581348342
Energy: 1.3240686146334355
Energy: 1.5776156581348342
Energy: 1.2900833834916539
Energy: 1.5896969028219945
Energy: 1.3438718621818766
Energy: 1.5896969028226642
Energy: 1.2900833834889742
Energy: 1.5896969028219945
Energy: 1.28930270813823
Energy: 1.6044087595767005
Energy: 1.2307618971657652
Energy: 1.6044087595760304
Energy: 1.2893027081388997
Energy: 1.6044087595760304
Energy: 1.3123422036133598
Energy: 1.5665852062678656
Energy: 1.3121200840397511
Energy: 1.5665852062678656
Energy: 1.3123422036133598
Energy: 1.5665852062678656
Energy: 1.3052870111811674
Energy: 1.2168195738656127
Energy: 1.303262194328436
Energy: 1.2168195738662522
Energy: 1.3052877666598908
Energy: 1.2168195738669219
Energy: 1.217700309120885
Energy: 1.5786002686741594
Energy: 1.3553880824561473
Energy: 1.5786002686734892
Energy: 1.2177003091215548
Energy: 1.5786002686734892
Energy: 1.3253971823675503
Energy: 1.5035053897348416
Energy: 1.3059725202947392
Energy: 1.5035053897355117
Energy: 1.3253971823682205
Energy: 1.5035053897348416
Energy: 1.3062588112889801
Energy: 1.577315700732761
Energy: 1.3437461435002478
Energy: 1.5773157007334309
Energy: 1.3062596577737935
Energy: 1.5773157007334309
Energy: 1.3455989763747083
Energy: 1.2272744994859148
Energy: 1.3877782447005262
Energy: 1.2272744994859148
Energy: 1.3455989763747083
Energy: 1.2272744994859148
Energy: 1.342901995156244
Energy: 1.3447809969306903
Energy: 1.2490733338243667
Energy: 1.3447809968945452
Energy: 1.342901995156244
Energy: 1.3447809968811473
Energy: 1.3048845012037247
Energy: 1.5675773452337847
Energy: 1.2444369895653642
Energy: 1.5675773452337847
Energy: 1.304884500908415
Energy: 1.5675773452337847
Energy: 1.2522109562741806
Energy: 1.5697190104180045
Energy: 1.2382469247459598
Energy: 1.5697190104180045
Energy: 1.2522109562728405
Energy: 1.5697190104180045
Energy: 1.3045605159140357
Energy: 1.5783181026746194
Energy: 1.3257325711301093
Energy: 1.5783181026732795
Energy: 1.3045605159140357
Energy: 1.5783181026732795
Energy: 1.325235869319776
Energy: 1.5714613282230518
Energy: 1.3302334062560337
Energy: 1.5714613282230518
Energy: 1.325235869319776
Energy: 1.5714613282237215
Energy: 1.2916373463066557
Energy: 1.2548906302808887
Energy: 1.442607177262484
Energy: 1.2548906302802187
Energy: 1.2917219062034235
Energy: 1.2548906302815586
Energy: 1.3252552491656366
Energy: 1.4718288445429117
Energy: 1.329858961068725
Energy: 1.4718288445429117
Energy: 1.3252552491656366
Energy: 1.4718288445429117
Energy: 1.3045823748571796
Energy: 1.578234006532636
Energy: 1.326428624485247
Energy: 1.5782340065312963
Energy: 1.3045823748565097
Energy: 1.5782340065312963
Energy: 1.2522105888562858
Energy: 1.5699589184513114
Energy: 1.238258682186125
Energy: 1.5699589184513114
Energy: 1.2522105888582955
Energy: 1.569958918451981
Energy: 1.254880729054499
Energy: 1.5676101570107475
Energy: 1.244435989157446
Energy: 1.5676101570100778
Energy: 1.254880729054499
Energy: 1.5676101570100778

minimum gb energy = 1.2147087505492158 eV
minimum distance =  2.23980051248262 Angstroms
sigma value = 57


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

Energy: 1.2618911369192007
Energy: 1.2497969517780643
Energy: 1.1975083736856125
Energy: 1.2497969517765393
Energy: 1.2618911369192007
Energy: 1.2497969517811143
Energy: 1.181132305431347
Energy: 1.5116846296554534
Energy: 1.144224034519151
Energy: 1.5116846296554534
Energy: 1.181132305431347
Energy: 1.5116846296554534
Energy: 1.2354762399415322
Energy: 1.4835072010689434
Energy: 1.1436418704205256
Energy: 1.4835072010719934
Energy: 1.2354762399415322
Energy: 1.4835072010689434
Energy: 1.1772265767398369
Energy: 1.328094327765251
Energy: 1.192013423455286
Energy: 1.328094327765251
Energy: 1.1772265767383117
Energy: 1.3280943277667763
Energy: 1.1989724343845654
Energy: 1.2497265796731023
Energy: 1.1435121593841786
Energy: 1.249726579677677
Energy: 1.1989724343845654
Energy: 1.249726579677677
Energy: 1.1770613558370357
Energy: 1.1436020041920316
Energy: 1.2299894117071413
Energy: 1.1436020041935564
Energy: 1.1770613558370357
Energy: 1.1436020041905066
Energy: 1.1755404943172862
Energy: 1.1443039854109047
Energy: 1.2302774353094599
Energy: 1.1443039854078545
Energy: 1.1755404943172862
Energy: 1.1443039854169696
Energy: 1.1990063451287112
Energy: 1.249452922766332
Energy: 1.1917543736330642
Energy: 1.249452922766332
Energy: 1.1990063451287112
Energy: 1.249452922766332
Energy: 1.1770684727678364
Energy: 1.327623320568309
Energy: 1.1437308774853736
Energy: 1.327623320568309
Energy: 1.1770684727678364
Energy: 1.3276233205667842
Energy: 1.2357208382097327
Energy: 1.4842795064371974
Energy: 1.143628762843161
Energy: 1.4842795064371974
Energy: 1.2357208382097327
Energy: 1.4842795064387224
Energy: 1.1820417526827751
Energy: 1.5116846296554534
Energy: 1.192176360195742
Energy: 1.5116846296554534
Energy: 1.1820417526812501
Energy: 1.5116846296554534
Energy: 1.2618911369192007
Energy: 1.2497969517795893
Energy: 1.1593385467344468
Energy: 1.2497969517811143
Energy: 1.2618911369176757
Energy: 1.2497969517780643
Energy: 1.181132305429822
Energy: 1.5116846296539284
Energy: 1.1442240345176262
Energy: 1.5116846296554534
Energy: 1.181132305429822
Energy: 1.5116846296554534
Energy: 1.2354762399400074
Energy: 1.4835072010719934
Energy: 1.1436418704205256
Energy: 1.4835072010689434
Energy: 1.2354762399415322
Energy: 1.4835072010689434
Energy: 1.1772265767383117
Energy: 1.328094327765251
Energy: 1.1482394548116754
Energy: 1.3280943277667763
Energy: 1.1772265767398369
Energy: 1.328094327765251
Energy: 1.1989724343845654
Energy: 1.2497265796670367
Energy: 1.1435121593841786
Energy: 1.2497265796761519
Energy: 1.1989724343845654
Energy: 1.249726579671577
Energy: 1.177061355838561
Energy: 1.1436020041920316
Energy: 1.2299894117071413
Energy: 1.1436020041905066
Energy: 1.1770613558370357
Energy: 1.1436020041920316
Energy: 1.1755404943157612
Energy: 1.1443039854109047
Energy: 1.2302774353094599
Energy: 1.1443039854169696
Energy: 1.1755404943172862
Energy: 1.1443039854124295
Energy: 1.1990063451287112
Energy: 1.249452922766332
Energy: 1.1477805858453394
Energy: 1.249452922766332
Energy: 1.1990063451287112
Energy: 1.249452922764807

minimum gb energy = 1.1435121593841786 eV
minimum distance =  2.23346797771216 Angstroms
sigma value = 11


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

Energy: 1.1768873461253764
Energy: 1.412756810979337
Energy: 1.0654708775941393
Energy: 1.4127568109782198
Energy: 1.1768873461253764
Energy: 1.412756810979337
Energy: 1.0534626327905767
Energy: 1.3864525742343876
Energy: 1.0847545219532853
Energy: 1.3864525742343876
Energy: 1.0534650284010603
Energy: 1.3864525742355045
Energy: 1.1535339444595627
Energy: 1.1053427994533649
Energy: 1.0381582664153834
Energy: 1.105342799454482
Energy: 1.1535339444595627
Energy: 1.1053427994567162
Energy: 1.0825005550782398
Energy: 1.0381051906557777
Energy: 1.0676891035627778
Energy: 1.0381051906557777
Energy: 1.0825005550782398
Energy: 1.0381051906557777
Energy: 1.1841561853182911
Energy: 1.0854097084523961
Energy: 1.0416214783324582
Energy: 1.085409708446811
Energy: 1.1841561853182911
Energy: 1.0854097084546306
Energy: 1.070422926858227
Energy: 1.4321354211280037
Energy: 1.083955185290588
Energy: 1.432135421129121
Energy: 1.070422926860461
Energy: 1.432135421129121
Energy: 1.1719733954232312
Energy: 1.1055644590382054
Energy: 1.0861903982046957
Energy: 1.1055644590359712
Energy: 1.1719733954221143
Energy: 1.1055644590370886
Energy: 1.0949480566272392
Energy: 1.4371912769918904
Energy: 1.1170648140185555
Energy: 1.4371912769918904
Energy: 1.0949480566305902
Energy: 1.4371912769918904
Energy: 1.093121368269986
Energy: 1.0854170862764416
Energy: 1.2693814872295346
Energy: 1.0854170862273416
Energy: 1.0931213682677523
Energy: 1.0854170862797927
Energy: 1.039244316664744
Energy: 1.1040653030009964
Energy: 1.0840276195818201
Energy: 1.1040653030032306
Energy: 1.0392443166658614
Energy: 1.1040653030043475
Energy: 1.0764216821893056
Energy: 1.430429400923971
Energy: 1.0860637435526277
Energy: 1.430429400922854
Energy: 1.0764216827297115
Energy: 1.430429400922854
Energy: 1.050389573883867
Energy: 1.085238408758813
Energy: 1.0672436516487904
Energy: 1.0852384087543445
Energy: 1.0503895735020334
Energy: 1.085238408764398
Energy: 1.038877693797787
Energy: 1.0387792196861392
Energy: 1.0419438624965436
Energy: 1.0387792196861392
Energy: 1.0388776750595177
Energy: 1.038779219688373
Energy: 1.084284365013243
Energy: 1.0877874480555345
Energy: 1.0401385285382674
Energy: 1.0877874480566516
Energy: 1.084284365011009
Energy: 1.087787448064471
Energy: 1.0548211187542171
Energy: 1.2313482678060594
Energy: 1.069703349869802
Energy: 1.2313482678060594
Energy: 1.054837409405463
Energy: 1.2313482678082937
Energy: 1.116981724859248
Energy: 1.4012669048755242
Energy: 1.0429164825964576
Energy: 1.4012669048766413
Energy: 1.1169817248547795
Energy: 1.4012669048755242
Energy: 1.0829055152373852
Energy: 1.0668637717024283
Energy: 1.0433662711434497
Energy: 1.0668637717046623
Energy: 1.0829055152351512
Energy: 1.0668637716990768
Energy: 1.0843505288664121
Energy: 1.1037444898997084
Energy: 1.0401530483701307
Energy: 1.103744489897474
Energy: 1.084350528865295
Energy: 1.103744489898591
Energy: 1.083500891346131
Energy: 1.0374307278470176
Energy: 1.0703440144133045
Energy: 1.0374307278459005
Energy: 1.083500891346131
Energy: 1.0374307278459005
Energy: 1.0529594403911668
Energy: 1.0850174749855912
Energy: 1.045992104676148
Energy: 1.0850174749867079
Energy: 1.0529594403855818
Energy: 1.0850174749855912
Energy: 1.061362621559536
Energy: 1.4349919075874882
Energy: 1.0841634674205647
Energy: 1.434991907586371
Energy: 1.06136262156177
Energy: 1.434991907585254
Energy: 1.0386029054497914
Energy: 1.1077758314493593
Energy: 1.0909603975587618
Energy: 1.1077758314538273
Energy: 1.0386029054676646
Energy: 1.1077758315174495
Energy: 1.128235750030174
Energy: 1.440352809398472
Energy: 1.1169528851473898
Energy: 1.4403528093995892
Energy: 1.128235750030174
Energy: 1.440352809400706
Energy: 1.0507997933143605
Energy: 1.0848645702708295
Energy: 1.1304968695689812
Energy: 1.0848645702685953
Energy: 1.050799692459067
Energy: 1.0848645702663613
Energy: 1.0376131301185605
Energy: 1.0854392805692519
Energy: 1.0846409782052122
Energy: 1.0854392805726032
Energy: 1.0376131301196776
Energy: 1.0854392805692519
Energy: 1.0398206149318903
Energy: 1.0396822571023436
Energy: 1.0912522845626058
Energy: 1.0396822571213336
Energy: 1.0398206149307734
Energy: 1.0396822571224507

minimum gb energy = 1.0374307278459005 eV
minimum distance =  2.27678192685512 Angstroms
sigma value = 41


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

Energy: 1.0345241290641196
Energy: 1.345560665938639
Energy: 1.01700411965937
Energy: 1.345560665938639
Energy: 1.034524129065
Energy: 1.345560665938639
Energy: 1.144850902611318
Energy: 1.017221128362562
Energy: 0.9990695543472186
Energy: 1.017221128362562
Energy: 1.144850902611318
Energy: 1.017221128362562
Energy: 1.0890326193832836
Energy: 1.3083421157185462
Energy: 0.9975362638911676
Energy: 1.3083421157185462
Energy: 1.0890326193832836
Energy: 1.3083421157194264
Energy: 1.2875522282978225
Energy: 0.99904677745275
Energy: 0.9990510443741899
Energy: 0.9990467774518694
Energy: 1.2875522282960616
Energy: 0.999046777450989
Energy: 1.0681457929413147
Energy: 1.0266551398204584
Energy: 0.9973799245797843
Energy: 1.0266551398204584
Energy: 1.0681457929413147
Energy: 1.0266551398204584
Energy: 0.9996002352773746
Energy: 1.0006950125073
Energy: 0.9990108442624904
Energy: 1.0006950125081804
Energy: 0.999600235276494
Energy: 1.0006950125064193
Energy: 1.0313889170554291
Energy: 1.3106511701892303
Energy: 0.9987023322042207
Energy: 1.3106511701874695
Energy: 1.0313889170545485
Energy: 1.3106511701892303
Energy: 1.016407257354769
Energy: 0.9994016712252892
Energy: 1.033972643226641
Energy: 0.9994016712217675
Energy: 1.0164072573521274
Energy: 0.9994016712235284
Energy: 1.1162266426427954
Energy: 1.026215929778436
Energy: 1.2717239201755042
Energy: 1.026215929778436
Energy: 1.116226642643676
Energy: 1.0262159297793163
Energy: 1.0795731962556356
Energy: 1.3084181322453174
Energy: 1.3099180896273572
Energy: 1.3084181322444373
Energy: 1.0795731962609185
Energy: 1.3084181322453174
Energy: 1.0789975186202367
Energy: 1.308838026956121
Energy: 1.307561409038374
Energy: 1.3088380269578819
Energy: 1.0789975186202367
Energy: 1.3088380269587625
Energy: 0.9994110847219839
Energy: 1.0263463054626427
Energy: 1.0340443779766655
Energy: 1.0263463054652842
Energy: 0.9994110847211035
Energy: 1.0263463054661646
Energy: 1.03162242588972
Energy: 1.3193607423771236
Energy: 1.2720769246809907
Energy: 1.3193607423771236
Energy: 1.0316224258923614
Energy: 1.319360742378004
Energy: 0.9990694272350109
Energy: 1.310366521016647
Energy: 0.9988813311131057
Energy: 1.3103665210175273
Energy: 0.9990694272341305
Energy: 1.310366521016647
Energy: 0.9993098394767552
Energy: 1.018091973973421
Energy: 0.9988903366868376
Energy: 1.0180919739769432
Energy: 0.9993098394829184
Energy: 1.01809197397078
Energy: 0.9987721229913545
Energy: 1.0280861204535912
Energy: 1.0029025091057393
Energy: 1.0280861204439062
Energy: 0.9987721229913545
Energy: 1.0280861204386238
Energy: 1.1729754077682584
Energy: 1.01618902593253
Energy: 0.9979152384112067
Energy: 1.0161890259298887
Energy: 1.172975407767378
Energy: 1.0161890259254867
Energy: 1.0344003832634738
Energy: 1.3248387693622534
Energy: 1.0000499450904903
Energy: 1.324838769361373
Energy: 1.0344003832634738
Energy: 1.324838769361373
Energy: 1.1456157606753221
Energy: 1.0175563600504962
Energy: 0.9991024856155889
Energy: 1.0175563600513766
Energy: 1.1456157606770832
Energy: 1.0175563600522572
Energy: 1.3223851255537522
Energy: 1.0114039781341115
Energy: 1.1619319522151594
Energy: 1.0114039781297093
Energy: 1.3223851255555128
Energy: 1.0114039781314703
Energy: 1.3086787506979982
Energy: 1.0173506115093476
Energy: 0.997256254163104
Energy: 1.0173506115093476
Energy: 1.3086787506979982
Energy: 1.0173506115102282
Energy: 1.0348469710318489
Energy: 1.3109720860018037
Energy: 0.9988371361903954
Energy: 1.3109720860018037
Energy: 1.034846971032729
Energy: 1.3109720860026843
Energy: 1.1714793769346457
Energy: 0.9965294309592311
Energy: 0.9991260623812397
Energy: 0.9965294309565896
Energy: 1.1714793769328846
Energy: 0.9965294309557093
Energy: 0.998959285746936
Energy: 1.3240338858521237
Energy: 0.9976365493184793
Energy: 1.3240338858521237
Energy: 0.998959285746936
Energy: 1.3240338858521237
Energy: 1.0012999120793349
Energy: 1.3359849604638463
Energy: 1.0016970398699496
Energy: 1.3359849604656069
Energy: 1.0012999120802155
Energy: 1.3359849604656069
Energy: 1.000136276030104
Energy: 1.0106462910910736
Energy: 0.9990063258235415
Energy: 1.010646291090193
Energy: 1.000136276030104
Energy: 1.0106462910928347
Energy: 1.0188593164310498
Energy: 1.3400791842492705
Energy: 1.0359864791912181
Energy: 1.3400791842492705
Energy: 1.0188593164328106
Energy: 1.3400791842483901
Energy: 0.9979917341613557
Energy: 1.3202836997389582
Energy: 1.2832264185721611
Energy: 1.3202836997380776
Energy: 0.9979917341604753
Energy: 1.3202836997380776
Energy: 1.1625530102581603
Energy: 1.340925481509551
Energy: 1.3102941022008252
Energy: 1.34092548150779
Energy: 1.1625530102563995
Energy: 1.34092548150779
Energy: 0.9995673992238705
Energy: 0.9991018669699225
Energy: 1.2127644078458526
Energy: 0.9991018669699225
Energy: 0.9995673992221097
Energy: 0.9991018669681615
Energy: 0.9972886019453713
Energy: 1.3404656897443856
Energy: 1.0363681651428578
Energy: 1.3404656897452663
Energy: 0.9972886019453713
Energy: 1.3404656897443856
Energy: 0.9978756195555014
Energy: 1.3130076169252087
Energy: 1.282793891491093
Energy: 1.313007616926089
Energy: 0.9978756195555014
Energy: 1.3130076169269693
Energy: 0.9995102220206598
Energy: 1.3403501142429253
Energy: 1.0014541258150793
Energy: 1.3403501142420449
Energy: 0.9995102220197793
Energy: 1.3403501142420449

minimum gb energy = 0.9965294309557093 eV
minimum distance =  2.26380780178332 Angstroms
sigma value = 33


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

Energy: 1.1588244542584518
Energy: 1.15242028359318
Energy: 0.9607937234134217
Energy: 1.152420283592562
Energy: 1.1588244541972796
Energy: 1.152420283592562
Energy: 1.3527743219785506
Energy: 1.1383977675781736
Energy: 0.9150435624088941
Energy: 1.1383977675757018
Energy: 1.3527743219853479
Energy: 1.1383977675757018
Energy: 1.1273517092911869
Energy: 1.2088439057512188
Energy: 0.9383336199508107
Energy: 1.2088439057487472
Energy: 1.1273517092868615
Energy: 1.2088439057487472
Energy: 1.2147403291987178
Energy: 0.9175379555191252
Energy: 0.9151940965008225
Energy: 0.9175379554660421
Energy: 1.2147403291974819
Energy: 0.917537955435147
Energy: 0.9826529156687429
Energy: 1.1952781386012943
Energy: 0.9200145944312261
Energy: 1.1952781386012943
Energy: 0.9826529156650354
Energy: 1.1952781386012943
Energy: 1.071696285977157
Energy: 0.9203063836072369
Energy: 0.9152330968591116
Energy: 0.9203063836053832
Energy: 1.0716962859796284
Energy: 0.9203063836078548
Energy: 0.9475463920746122
Energy: 1.1426748511085474
Energy: 0.9202408985773628
Energy: 1.1426748511085474
Energy: 0.9475463920801733
Energy: 1.142674851109783
Energy: 1.0853432313456088
Energy: 0.9169894315045467
Energy: 0.926389641297842
Energy: 0.9169894315002214
Energy: 1.0853432313462268
Energy: 0.9169894315051647
Energy: 0.9417432014153664
Energy: 1.1940860537921916
Energy: 1.0648670183973385
Energy: 1.1940860537909554
Energy: 0.9417432014141307
Energy: 1.1940860537903377
Energy: 1.0709554007852649
Energy: 1.142067794553777
Energy: 1.0776194591882384
Energy: 1.1420677945543947
Energy: 1.0709554007846471
Energy: 1.142067794553777
Energy: 0.9303156056733143
Energy: 1.1401822947030993
Energy: 1.0750596318869294
Energy: 1.140182294704335
Energy: 0.9303156056665174
Energy: 1.140182294703717
Energy: 1.1198382092034964
Energy: 1.1538503755527736
Energy: 1.0999590282131884
Energy: 1.153850375554627
Energy: 1.1198382091917563
Energy: 1.1538503755558631
Energy: 1.0888373931249056
Energy: 1.1940091983922252
Energy: 1.3515110529844814
Energy: 1.194009198394697
Energy: 1.0888373931249056
Energy: 1.194009198394697
Energy: 1.0698430618955093
Energy: 1.2076839177916059
Energy: 1.6041070546061544
Energy: 1.2076839177897523
Energy: 1.069843061896127
Energy: 1.20768391779037
Energy: 1.0811029508884873
Energy: 1.139979905719998
Energy: 1.5967457035471297
Energy: 1.13997990571938
Energy: 1.0811029508891052
Energy: 1.1399799057206157
Energy: 1.0717858253186927
Energy: 1.154759472437415
Energy: 1.100241474793593
Energy: 1.1547594724367973
Energy: 1.0717858253186927
Energy: 1.1547594724367973
Energy: 1.0725073720734983
Energy: 1.1937908353573041
Energy: 1.3518406939577445
Energy: 1.1937908353573041
Energy: 1.0725073720697909
Energy: 1.193790835357922
Energy: 0.9198510864797974
Energy: 1.1868765164368968
Energy: 1.07760994407684
Energy: 1.1868765164375146
Energy: 0.9198510864810331
Energy: 1.1868765164375146
Energy: 1.0773386744028555
Energy: 1.194227243320277
Energy: 1.075093226887177
Energy: 1.1942272433246024
Energy: 1.077338674399766
Energy: 1.1942272433246024
Energy: 0.930830193716788
Energy: 1.1538879819685917
Energy: 0.9265732238165605
Energy: 1.1538879819685917
Energy: 0.9308301937136985
Energy: 1.1538879819673558
Energy: 1.080012084815705
Energy: 1.1436811848458555
Energy: 1.065141997381614
Energy: 1.1436811848470914
Energy: 1.0800120848150874
Energy: 1.143681184847709
Energy: 0.9321623537174701
Energy: 1.2056345491720286
Energy: 0.9149205770452354
Energy: 1.205634549170175
Energy: 0.9321623537180881
Energy: 1.205634549170793
Energy: 1.0709834565502625
Energy: 1.1582703728496637
Energy: 0.919672238202678
Energy: 1.1582703728515173
Energy: 1.0709834565552059
Energy: 1.158270372852135
Energy: 0.9589805288030377
Energy: 1.1536019501485246
Energy: 0.9155833053213075
Energy: 1.1536019501472887
Energy: 0.9589805288036557
Energy: 1.1536019501491424
Energy: 1.2525718822940117
Energy: 1.1423424553694494
Energy: 1.0719307996436753
Energy: 1.1423424553706854
Energy: 1.2525718822982808
Energy: 1.1423424553700672
Energy: 1.111108388979584
Energy: 1.2113124415184813
Energy: 0.9168582869275157
Energy: 1.2113124415197172
Energy: 1.111108388980202
Energy: 1.2113124415197172
Energy: 1.2203448440492195
Energy: 0.9186413631064413
Energy: 0.9198421152614057
Energy: 0.9186413631354825
Energy: 1.220344844046748
Energy: 0.9186413631428973
Energy: 1.1347288943961529
Energy: 1.1533905213090618
Energy: 1.0692718502212282
Energy: 1.1533905213059723
Energy: 1.1347288943973888
Energy: 1.1533905213072082
Energy: 1.2526481923483437
Energy: 1.1418362814163339
Energy: 1.0720130818024274
Energy: 1.141836281415716
Energy: 1.252648192327953
Energy: 1.1418362814169518
Energy: 1.0990921161027496
Energy: 1.2020511116528187
Energy: 1.0730958446866121
Energy: 1.2020511116528187
Energy: 1.0990921161033678
Energy: 1.2020511116522008
Energy: 1.227923828071865
Energy: 0.9181772519100138
Energy: 0.9191007939113739
Energy: 0.9181772519075422
Energy: 1.2279238280761904
Energy: 0.9181772519106317
Energy: 0.9584051563873526
Energy: 1.1939857346301384
Energy: 0.9993775737713714
Energy: 1.1939857346276668
Energy: 0.9584051563885884
Energy: 1.1939857346276668
Energy: 1.071255686716385
Energy: 1.1433096801865141
Energy: 0.9308222011337656
Energy: 1.1433096801877498
Energy: 1.0712556867176206
Energy: 1.1433096801877498
Energy: 0.9322976700896886
Energy: 1.1416271365648605
Energy: 1.0743148518180057
Energy: 1.1416271365654784
Energy: 0.9322976700933959
Energy: 1.1416271365654784
Energy: 1.0738812932610275
Energy: 1.1416745356938547
Energy: 0.932620315001877
Energy: 1.1416745356950906
Energy: 1.0738812932597916
Energy: 1.1416745356950906
Energy: 0.9313851090410512
Energy: 1.1432845415524493
Energy: 1.0712447801806828
Energy: 1.1432845415530675
Energy: 0.931385109041669
Energy: 1.1432845415536852
Energy: 0.9994393512370277
Energy: 1.19395201931514
Energy: 0.958884597919487
Energy: 1.1939520193157578
Energy: 0.9994393512370277
Energy: 1.1939520193157578
Energy: 0.919075652748806
Energy: 0.9175803261993523
Energy: 1.2263296424429662
Energy: 0.9175803261981164
Energy: 0.9190756527518955
Energy: 0.9175803261931732
Energy: 1.0730958446872303
Energy: 1.1871286298209645
Energy: 1.1002594577417588
Energy: 1.187128629823436
Energy: 1.0730958446890841
Energy: 1.1871286298228179
Energy: 1.0718991119520578
Energy: 1.1419399752008532
Energy: 1.253084011451362
Energy: 1.1419399752014712
Energy: 1.0718991119539114
Energy: 1.1419399751996175
Energy: 1.0691451085547419
Energy: 1.1543444884850051
Energy: 1.1349329006272748
Energy: 1.1543444884843872
Energy: 1.0691451085547419
Energy: 1.1543444884843872
Energy: 0.9200861912179035
Energy: 0.9184407397183283
Energy: 1.2192508087856375
Energy: 0.9184407397232713
Energy: 0.9200861912179035
Energy: 0.9184407397214177
Energy: 0.9168731300145763
Energy: 1.2032311709588328
Energy: 1.0991212674506492
Energy: 1.2032311709600687
Energy: 0.9168731300145763
Energy: 1.2032311709588328
Energy: 1.0717765248575803
Energy: 1.1419805488124526
Energy: 1.2526628552875354
Energy: 1.141980548811217
Energy: 1.0717765248575803
Energy: 1.1419805488118346
Energy: 0.9153551933660355
Energy: 1.1546415395970344
Energy: 0.9591916425724417
Energy: 1.1546415395970344
Energy: 0.9153551933666534
Energy: 1.1546415395976524
Energy: 0.9201963564448726
Energy: 1.1582703728515173
Energy: 1.0709354085337248
Energy: 1.1582703728502814
Energy: 0.9201963564442547
Energy: 1.1582703728502814
Energy: 0.9150759602398155
Energy: 1.2089486204636717
Energy: 0.9347561948150168
Energy: 1.208948620462436
Energy: 0.9150759602404335
Energy: 1.2089486204630537

minimum gb energy = 0.9149205770452354 eV
minimum distance =  2.26527286282902 Angstroms
sigma value = 67


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

Energy: 0.38461078409888194
Energy: 0.3630420226501044
Energy: 0.8605475748921777
Energy: 0.36304202265092567
Energy: 0.38461078409930427
Energy: 0.36304202265174684
Energy: 0.3460396790763907
Energy: 0.7282722779756624
Energy: 0.8026512647154617
Energy: 0.7282715580889897
Energy: 0.3460396790763907
Energy: 0.7282641532815013
Energy: 0.38461078409848304
Energy: 0.36304202264925967
Energy: 0.8605472751996475
Energy: 0.36304202265092567
Energy: 0.38461078409848304
Energy: 0.36304202265092567
Energy: 0.3460396790763907
Energy: 0.7282647229229782
Energy: 0.8026512795796278
Energy: 0.7282654047704601
Energy: 0.3460396790763907
Energy: 0.728263879133764
Energy: 0.38461078409888194
Energy: 0.36304202264968205
Energy: 0.8605472629438523
Energy: 0.36304202265092567
Energy: 0.38461078409888194
Energy: 0.36304202264886076
Energy: 0.34603967907681304
Energy: 0.7282646636958368
Energy: 0.8026512589823769
Energy: 0.7282638236278552
Energy: 0.34603967907681304
Energy: 0.7282690955951386
Energy: 0.3846107840980607
Energy: 0.36304202264925967
Energy: 0.8605472637054151
Energy: 0.36304202265092567
Energy: 0.38461078409848304
Energy: 0.3630420226505033

minimum gb energy = 0.3460396790763907 eV
minimum distance =  2.34990039499547 Angstroms
sigma value = 3


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

Energy: 1.526908252442503
Energy: 1.2633169420539831
Energy: 0.9980037768329212
Energy: 1.263316942055107
Energy: 1.5269082524419408
Energy: 1.263316942055107
Energy: 1.5971872884347593
Energy: 0.9104295594956058
Energy: 0.9085437270024033
Energy: 0.910429559491672
Energy: 1.597187288438131
Energy: 0.910429559491672
Energy: 1.3280394088836753
Energy: 1.2331807437663729
Energy: 1.0515483800843395
Energy: 1.2331807437697446
Energy: 1.3280394088825518
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Energy: 0.9546274354848135
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Energy: 0.9607752465887831
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Energy: 1.2305913210338095
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Energy: 1.217222989939757
Energy: 0.9510165718890707
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Energy: 1.100121350458536
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Energy: 1.1285105185672215
Energy: 1.1967639150790192
Energy: 1.1666828990415485
Energy: 1.2200340917684536
Energy: 0.9029028923189627
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Energy: 1.2200340917673296
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Energy: 1.214435486664864
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Energy: 1.2403844350163165
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Energy: 1.188183015270864
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Energy: 1.1291986751320717
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Energy: 1.0195765074156056
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Energy: 0.9480735450742293
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Energy: 1.2305727261586796
Energy: 0.9580174927777529
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Energy: 1.1006158773394565
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Energy: 1.047737866354516
Energy: 1.199968369509119
Energy: 0.9909768746575522
Energy: 1.1999683695096812
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Energy: 1.1890347970021649
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Energy: 1.0532835669580047
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Energy: 0.9755654983433072
Energy: 1.192242652531956
Energy: 0.9786957672165572
Energy: 1.2314689609707081
Energy: 1.1052364025385426
Energy: 1.2314689609718321
Energy: 0.9786957672137472
Energy: 1.2314689609718321
Energy: 0.9632927252737021
Energy: 0.9767640942000196
Energy: 1.0852498961573727
Energy: 0.9767640942000196
Energy: 0.9632927252742641
Energy: 0.9767640942005815
Energy: 0.9701785047404264
Energy: 1.206742881717176
Energy: 1.1328921949412931
Energy: 1.2067428817143662
Energy: 0.9701785047404264
Energy: 1.2067428817149282
Energy: 0.9222007492682688
Energy: 0.98224946123613
Energy: 1.1295831083897185
Energy: 0.9822494612293863
Energy: 0.9222007492682688
Energy: 0.9822494612282623
Energy: 0.9652886925236246
Energy: 1.2409424431177216
Energy: 1.090732204762875
Energy: 1.2409424431227791
Energy: 0.9652886925247486
Energy: 1.2409424431233413
Energy: 0.9177582403208957
Energy: 0.9201817022013863
Energy: 1.3861449095459124
Energy: 0.9201817022002624
Energy: 0.9177582403214576
Energy: 0.9201817021997005
Energy: 0.9086963890801388
Energy: 1.2583715272531915
Energy: 1.149983520263548
Energy: 1.2583715272565632
Energy: 0.9086963890801388
Energy: 1.258371527257125
Energy: 0.9120343425366894
Energy: 0.9116382807616338
Energy: 1.1199126003436763
Energy: 0.9116382807576999
Energy: 0.9120343425366894
Energy: 0.9116382807576999
Energy: 0.9534017671888121
Energy: 1.2407789042551516
Energy: 1.0911283901910027
Energy: 1.2407789042545898
Energy: 0.953401767189374
Energy: 1.2407789042540276
Energy: 0.9271003423440826
Energy: 0.9052581289865876
Energy: 1.2556250462368934
Energy: 0.9052581289882736
Energy: 0.9271003423435206
Energy: 0.9052581289899594
Energy: 0.9620011888345911
Energy: 1.204524439848566
Energy: 1.1330895991528134
Energy: 1.2045244398558712
Energy: 0.9620011888300953
Energy: 1.2045244398553094
Energy: 0.9548180689177159
Energy: 0.9043884842289551
Energy: 1.1298366062066305
Energy: 0.904388484232327
Energy: 0.9548180689165919
Energy: 0.904388484232327
Energy: 1.1452933746360243
Energy: 1.1861613632476171
Energy: 1.105007942674315
Energy: 1.186161363250989
Energy: 1.145293374639396
Energy: 1.186161363250989

minimum gb energy = 0.9029028923189627 eV
minimum distance =  2.25026788715927 Angstroms
sigma value = 81


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

Energy: 1.0877597556827492
Energy: 1.0366608929760026
Energy: 1.121333701777395
Energy: 1.0366608929814016
Energy: 1.0877597556943186
Energy: 1.0366608929868006
Energy: 1.027403126551305
Energy: 1.025976713056992
Energy: 1.0071195227774432
Energy: 1.025976713054678
Energy: 1.027403127298376
Energy: 1.025976713054678
Energy: 1.0362164916377647
Energy: 1.013452525939426
Energy: 1.0983076947695412
Energy: 1.0134525259401974
Energy: 1.036216491633908
Energy: 1.0134525259440539
Energy: 1.0176638967013378
Energy: 1.0042844413981333
Energy: 1.0069371546955777
Energy: 1.0042844413965906
Energy: 1.0176638967005665
Energy: 1.004284441397362
Energy: 1.0400643333859638
Energy: 1.0143418146377345
Energy: 1.071645736674131
Energy: 1.0143418146377345
Energy: 1.0400643333867352
Energy: 1.0143418146385057
Energy: 1.0086426717913193
Energy: 1.0019482170230123
Energy: 1.0067707629398375
Energy: 1.0019482170230123
Energy: 1.0086426717913193
Energy: 1.0019482170230123
Energy: 1.0149947082672766
Energy: 1.0033845306427065
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Energy: 1.0149947082672766
Energy: 1.0033845306419353
Energy: 1.0025382376625527
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Energy: 1.0347067351291481
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Energy: 1.3597460834644048
Energy: 1.0360822947017791
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Energy: 1.0182364452256982
Energy: 1.0186097255323123
Energy: 1.0359043148047489
Energy: 1.018609725533084
Energy: 1.0182364452256982
Energy: 1.0186097255323123
Energy: 1.0018640628675786
Energy: 1.3954277356788127
Energy: 1.0897450745869233
Energy: 1.3954277356764988
Energy: 1.0018640628668072
Energy: 1.3954277356780413
Energy: 1.0160023358436485
Energy: 1.0027581370727785
Energy: 1.0813587233691877
Energy: 1.0027581370750922
Energy: 1.0160023358436485
Energy: 1.0027581370727785
Energy: 1.01751534174689
Energy: 1.3588366992163614
Energy: 1.0362109326919489
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Energy: 1.0175153417453475
Energy: 1.3588366992179044
Energy: 1.0176262904178117
Energy: 1.0252973962482288
Energy: 1.0075585188118
Energy: 1.0252973962104353
Energy: 1.0176262904170408
Energy: 1.025297396230489
Energy: 1.0165882630634833
Energy: 1.396414823154799
Energy: 1.0350979291527513
Energy: 1.396414823154799
Energy: 1.016588263062712
Energy: 1.3964148231555702
Energy: 1.015953805268884
Energy: 1.007039822311804
Energy: 1.067145940450425
Energy: 1.007039822308754
Energy: 1.015953805268884
Energy: 1.007039822308754
Energy: 1.0099430080191856
Energy: 1.3572523199821704
Energy: 1.0072986972996167
Energy: 1.3572523199798565
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Energy: 1.3572523199798565
Energy: 1.009418360320314
Energy: 1.3524160273895502
Energy: 1.0043508946391362
Energy: 1.352416027391093
Energy: 1.009418360320314
Energy: 1.352416027391093
Energy: 1.0371932740630116
Energy: 1.395997360687082
Energy: 1.007262809206876
Energy: 1.3959973606832252
Energy: 1.0371932740614689
Energy: 1.3959973606839966
Energy: 1.0368697411196885
Energy: 1.363389632112907
Energy: 1.0666836963692115
Energy: 1.36338963211445
Energy: 1.0368697411196885
Energy: 1.3633896321136785
Energy: 1.0359796488665836
Energy: 1.3573105940315535
Energy: 1.0062311471279
Energy: 1.3573105940307821
Energy: 1.0359796488650406
Energy: 1.3573105940307821
Energy: 1.0355218103660286
Energy: 1.3572942949600764
Energy: 1.0063212762113598
Energy: 1.3572942949608477
Energy: 1.0355218103428896
Energy: 1.3572942949608477
Energy: 1.0368590207258632
Energy: 1.3633967541035803
Energy: 1.0067285034991509
Energy: 1.3633967541028091
Energy: 1.0368590207274062
Energy: 1.3633967541028091
Energy: 1.0370677790872933
Energy: 1.3965818173835054
Energy: 1.0067731659970698
Energy: 1.396581817381963
Energy: 1.0370677790880645
Energy: 1.396581817381963
Energy: 1.0093782457843392
Energy: 1.3524051999633848
Energy: 1.0044909900129266
Energy: 1.3524051999633848
Energy: 1.0093782457835678
Energy: 1.3524051999633848
Energy: 1.0098685887584318
Energy: 1.3570170369044923
Energy: 1.0070479650827628
Energy: 1.3570170369044923
Energy: 1.0098685887584318
Energy: 1.3570170369044923
Energy: 1.0157797765559446
Energy: 1.0060400634946443
Energy: 1.004723270920244
Energy: 1.0060400635316666
Energy: 1.015779776556716
Energy: 1.0060400635362594
Energy: 1.0162036804329666
Energy: 1.3971203667299268
Energy: 1.0350900268600864
Energy: 1.3971203667291556
Energy: 1.0162036804329666
Energy: 1.3971203667306982
Energy: 1.0176172374428751
Energy: 1.025297396201951
Energy: 1.0074724564137132
Energy: 1.0252973962204623
Energy: 1.0176172374421038
Energy: 1.0252973962104353
Energy: 1.0175660795703767
Energy: 1.358985932588936
Energy: 1.0359416569848852
Energy: 1.3589859325881648
Energy: 1.0175660795703767
Energy: 1.3589859325881648
Energy: 1.0160640690765492
Energy: 1.003866701734582
Energy: 1.0080580381913211
Energy: 1.003866701736896
Energy: 1.0160640690773204
Energy: 1.003866701733811
Energy: 1.0020204300194986
Energy: 1.3958669811985598
Energy: 1.0897276908061004
Energy: 1.3958669811985598
Energy: 1.0020204300194986
Energy: 1.3958669811970175
Energy: 1.0180457822574052
Energy: 1.0181020702609915
Energy: 1.0433368625617752
Energy: 1.0181020702609915
Energy: 1.0180457822574052
Energy: 1.0181020702609915
Energy: 1.0287191876180057
Energy: 1.359295530029801
Energy: 1.036384000570862
Energy: 1.359295530029801
Energy: 1.0287191876180057
Energy: 1.3592955300305725
Energy: 1.0156238758606215
Energy: 1.0145047617925818
Energy: 1.0091616328030013
Energy: 1.0145047617910392
Energy: 1.0156238758598504
Energy: 1.0145047617910392
Energy: 1.0025362162415175
Energy: 1.0072494386719653
Energy: 1.034748957097651
Energy: 1.0072494386719653
Energy: 1.002536216240746
Energy: 1.007249438674279
Energy: 1.0148116140166963
Energy: 1.0040547038971765
Energy: 1.009071859390774
Energy: 1.004054703904118
Energy: 1.0148116140166963
Energy: 1.0040547039072034

minimum gb energy = 1.0018640628668072 eV
minimum distance =  2.25413163994673 Angstroms
sigma value = 43


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

Energy: 1.5814834502903465
Energy: 1.5276260969119249
Energy: 1.1065268763230465
Energy: 1.5276260969119249
Energy: 1.581483450291294
Energy: 1.5276260969119249
Energy: 1.06630425343647
Energy: 1.13566061658909
Energy: 1.063955444383806
Energy: 1.13566061658909
Energy: 1.06630425343647
Energy: 1.13566061658909
Energy: 1.1015388823466234
Energy: 1.0683358655607622
Energy: 1.0693234998518937
Energy: 1.0683358655598365
Energy: 1.1015388823466234
Energy: 1.0683358655607622
Energy: 1.0714236014113396
Energy: 1.0711379397517693
Energy: 1.0636022245813492
Energy: 1.0711379397517693
Energy: 1.0714236014113396
Energy: 1.0711379397517693
Energy: 1.0696847394947038
Energy: 1.0729274734941612
Energy: 1.1479393651577712
Energy: 1.0729274734951086
Energy: 1.0696847394947038
Energy: 1.0729274734988983
Energy: 1.0688977914683013
Energy: 1.0678285049110927
Energy: 1.0635605134040254
Energy: 1.0678285049101457
Energy: 1.0688977914683013
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Energy: 1.0682116467300435
Energy: 1.067493702467189
Energy: 1.0660475132395584
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Energy: 1.0682116467300435
Energy: 1.067493702467189
Energy: 1.1162537446787677
Energy: 1.0661818990881429
Energy: 1.1018626775000935
Energy: 1.066181899086248
Energy: 1.116253744679715
Energy: 1.0661818990871954
Energy: 1.0761178560304219
Energy: 1.0748495723531672
Energy: 1.1640065110660138
Energy: 1.0748495723531672
Energy: 1.0761178560294744
Energy: 1.0748495723531672
Energy: 1.0759590008638964
Energy: 1.4824137767872776
Energy: 1.1029735592003458
Energy: 1.4824137767863301
Energy: 1.075959000862949
Energy: 1.4824137767872776
Energy: 1.0681169174713065
Energy: 1.067901629363084
Energy: 1.0650255653346659
Energy: 1.067901629360242
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Energy: 1.067901629363084
Energy: 1.076856425484301
Energy: 1.0660514978262037
Energy: 1.1018253500392645
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Energy: 1.0768564254833537
Energy: 1.066051497824309
Energy: 1.0760014556205217
Energy: 1.0767315320787378
Energy: 1.139169419825854
Energy: 1.0767315320777904
Energy: 1.076001455619574
Energy: 1.0767315320777904
Energy: 1.0697590237658836
Energy: 1.4840342161419264
Energy: 1.064451871762924
Energy: 1.4840342161419264
Energy: 1.0697590237668309
Energy: 1.4840342161419264
Energy: 1.067380122027329
Energy: 1.0740422637073643
Energy: 1.069191740116324
Energy: 1.0740422637073643
Energy: 1.0673801220263814
Energy: 1.0740422637073643
Energy: 1.066894652915342
Energy: 1.0650533313290471
Energy: 1.0634059075767441
Energy: 1.0650533313290471
Energy: 1.066894652915342
Energy: 1.0650533313290471
Energy: 1.06752409358311
Energy: 1.071831464426229
Energy: 1.1390175145640233
Energy: 1.071831464426229
Energy: 1.0675240935821626
Energy: 1.071831464426229
Energy: 1.1021948765735265
Energy: 1.4859309768675968
Energy: 1.0724197345470776
Energy: 1.4859309768675968
Energy: 1.102194876577316
Energy: 1.4859309768675968
Energy: 1.101781949368012
Energy: 1.485913687962285
Energy: 1.069466013993675
Energy: 1.485913687962285
Energy: 1.1017819493670644
Energy: 1.485913687962285
Energy: 1.0666984222382885
Energy: 1.4699868094407504
Energy: 1.0637063855931166
Energy: 1.4699868094407504
Energy: 1.0666984222382885
Energy: 1.4699868094407504
Energy: 1.0676197040967497
Energy: 1.5624667058711506
Energy: 1.0652267467745546
Energy: 1.562466705870203
Energy: 1.0676197040958022
Energy: 1.562466705870203
Energy: 1.069076653874608
Energy: 1.073609656939467
Energy: 1.0713740842011152
Energy: 1.073609656939467
Energy: 1.069076653874608
Energy: 1.073609656939467
Energy: 1.0683455275585003
Energy: 1.485619019761705
Energy: 1.0635595255420078
Energy: 1.4856190197626526
Energy: 1.0683455275594478
Energy: 1.4856190197626526
Energy: 1.0777208603429096
Energy: 1.067304241369278
Energy: 1.064175182756653
Energy: 1.0673042413664358
Energy: 1.0777208603419624
Energy: 1.0673042413683305
Energy: 1.0750634595006958
Energy: 1.5621635858183216
Energy: 1.1044271427991692
Energy: 1.5621635858183216
Energy: 1.0750634595006958
Energy: 1.5621635858183216
Energy: 1.0679651006345703
Energy: 1.0675805234672038
Energy: 1.0649975355270755
Energy: 1.0675805234596243
Energy: 1.0679651006345703
Energy: 1.0675805234672038
Energy: 1.0733294527612252
Energy: 1.4835684251557626
Energy: 1.1030757771939081
Energy: 1.4835684251557626
Energy: 1.0733294527602775
Energy: 1.4835684251548154
Energy: 1.0759774549776584
Energy: 1.5162942657627856
Energy: 1.102890571551675
Energy: 1.5162942657637328
Energy: 1.0759774549776584
Energy: 1.5162942657637328
Energy: 1.1193187515963905
Energy: 1.0676817341836873
Energy: 1.1045605817302608
Energy: 1.06768173418274
Energy: 1.1193187515963905
Energy: 1.06768173418274
Energy: 1.0677907044909802
Energy: 1.0656067312850022
Energy: 1.065112534735664
Energy: 1.0656067312850022
Energy: 1.0677907044909802
Energy: 1.0656067312850022
Energy: 1.0691459678833146
Energy: 1.067950860635389
Energy: 1.0636944781973263
Energy: 1.067950860635389
Energy: 1.0691459678833146
Energy: 1.067950860635389

minimum gb energy = 1.0634059075767441 eV
minimum distance =  2.25668236967191 Angstroms
sigma value = 57


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

Energy: 1.1644129347237269
Energy: 1.122272366678952
Energy: 1.308748026282323
Energy: 1.1222723666814054
Energy: 1.1644129347225
Energy: 1.1222723666740453
Energy: 1.1143085430138515
Energy: 1.23776606973926
Energy: 1.116522151018984
Energy: 1.2377660697380333
Energy: 1.114308543015078
Energy: 1.2377660697368067
Energy: 1.1110587977351203
Energy: 1.7254454618585833
Energy: 1.2579884953583287
Energy: 1.7254454618585833
Energy: 1.1110587977351203
Energy: 1.7254454618585833
Energy: 1.1199558950418098
Energy: 1.1389462739974165
Energy: 1.1165153783463573
Energy: 1.1389462739974165
Energy: 1.1199558950430366
Energy: 1.1389462739974165
Energy: 1.1233884068097786
Energy: 1.1426404147313671
Energy: 1.238182830653839
Energy: 1.1426404147313671
Energy: 1.1233884068097786
Energy: 1.1426404147301406
Energy: 1.141761825403712
Energy: 1.1404428006534904
Energy: 1.1150323382202578
Energy: 1.1404428009109815
Energy: 1.141761825403712
Energy: 1.1404428007282899
Energy: 1.1399468304801683
Energy: 1.4654076195352435
Energy: 1.120100457554054
Energy: 1.4654076195352435
Energy: 1.1399468304789415
Energy: 1.4654076195352435
Energy: 1.14073790432031
Energy: 1.1127226664544103
Energy: 1.168355354242929
Energy: 1.1127226664531837
Energy: 1.140737904319083
Energy: 1.112722666455609
Energy: 1.1233107916190956
Energy: 1.237750931562384
Energy: 1.236772915382306
Energy: 1.237750931563611
Energy: 1.1233107916190956
Energy: 1.237750931563611
Energy: 1.1381092451916455
Energy: 1.2352937436484113
Energy: 1.1152329817749582
Energy: 1.2352937436349176
Energy: 1.1381092451904187
Energy: 1.2352937436484113
Energy: 1.139927946247133
Energy: 1.1399672238415262
Energy: 1.1405417393933466
Energy: 1.1399672238415262
Energy: 1.139927946247133
Energy: 1.1399672238415262
Energy: 1.1177928862496234
Energy: 1.1149564296441348
Energy: 1.1161312607617153
Energy: 1.114956429642908
Energy: 1.1177928862496234
Energy: 1.114956429642908
Energy: 1.1225492024062542
Energy: 1.1404071426443252
Energy: 1.209146295572634
Energy: 1.1404071426455518
Energy: 1.1225492024062542
Energy: 1.1404071426418716
Energy: 1.126311525917393
Energy: 1.2352222079446478
Energy: 1.1393216754154039
Energy: 1.235222208001047
Energy: 1.1263115259161662
Energy: 1.2352222079029407
Energy: 1.1250732999171766
Energy: 1.1119359326985663
Energy: 1.1403980663090545
Energy: 1.111935932694886
Energy: 1.1250732999147233
Energy: 1.1119359326912062
Energy: 1.1171444510906492
Energy: 1.1410141293354308
Energy: 1.117190619192915
Energy: 1.1410141293329774
Energy: 1.1171444510906492
Energy: 1.1410141293366576
Energy: 1.1226510674904584
Energy: 1.112562366796365
Energy: 1.1394659876692301
Energy: 1.1125623667951383
Energy: 1.1226510674904584
Energy: 1.1125623667951383
Energy: 1.1383900485536413
Energy: 1.1857655211751077
Energy: 1.1386071337490007
Energy: 1.185765521181241
Energy: 1.1383900485536413
Energy: 1.1857655211726543
Energy: 1.1395413838422692
Energy: 1.1124027176483966
Energy: 1.12304070377194
Energy: 1.1124027176483966
Energy: 1.1395413838422692
Energy: 1.1124027176483966
Energy: 1.117381633313826
Energy: 1.1408170642622342
Energy: 1.117171861185587
Energy: 1.1408170642646875
Energy: 1.1173816333125994
Energy: 1.1408170642622342
Energy: 1.1405024666458718
Energy: 1.1119185776632259
Energy: 1.1256994809885268
Energy: 1.111918577661999
Energy: 1.1405024666470984
Energy: 1.1119185776571203
Energy: 1.1392732861607928
Energy: 1.1399876613535689
Energy: 1.1266190970254337
Energy: 1.1399876613535689
Energy: 1.1392732861607928
Energy: 1.1399876613498887
Energy: 1.2400289898594146
Energy: 1.1399165173435883
Energy: 1.1224907047526658
Energy: 1.1399165173435883
Energy: 1.2400289898594146
Energy: 1.1399165173448151
Energy: 1.1161309938014672
Energy: 1.1151980411761948
Energy: 1.1175919043343587
Energy: 1.1151980411749678
Energy: 1.1161309938026938
Energy: 1.1151980411749678

minimum gb energy = 1.1110587977351203 eV
minimum distance =  2.27018542561599 Angstroms
sigma value = 17


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

Energy: 1.110404959050105
Energy: 1.1105020092702413
Energy: 1.660937835378087
Energy: 1.1105020092685067
Energy: 1.110404959050105
Energy: 1.1105020092685067
Energy: 1.1206983242862039
Energy: 1.1546501444409931
Energy: 1.1559066497317445
Energy: 1.1546501444409931
Energy: 1.1206983242862039
Energy: 1.1546501444409931
Energy: 1.1562955011843483
Energy: 1.1570756864752219
Energy: 1.153663141804245
Energy: 1.1570756864752219
Energy: 1.1562955011843483
Energy: 1.1570756864769567
Energy: 1.1564200846332213
Energy: 1.1562112391742183
Energy: 1.1563268360023988
Energy: 1.1562112391742183
Energy: 1.1564200846332213
Energy: 1.1562112391742183
Energy: 1.1540200745814468
Energy: 1.1537520860120687
Energy: 1.1566745698284953
Energy: 1.1537520860120687
Energy: 1.1540200745797118
Energy: 1.1537520860120687
Energy: 1.1544890986756442
Energy: 1.1126236153227922
Energy: 1.1139257993773206
Energy: 1.1126236153227922
Energy: 1.154489098677379
Energy: 1.1126236153227922
Energy: 1.1574242748161738
Energy: 1.3737450770799382
Energy: 1.119286500120938
Energy: 1.3737450770782034
Energy: 1.1574242748161738
Energy: 1.3737450770782034
Energy: 1.1569199935767407
Energy: 1.2422105040896076
Energy: 1.1562069713493535
Energy: 1.2422105040896076
Energy: 1.1569199935750059
Energy: 1.2422105040896076
Energy: 1.153999120148768
Energy: 1.1544702554640671
Energy: 1.4366015715895306
Energy: 1.1544702554640671
Energy: 1.153999120148768
Energy: 1.1544702554640671
Energy: 1.1134897143459972
Energy: 1.1120133941194696
Energy: 1.1558756365686569
Energy: 1.112013394117735
Energy: 1.1134897143459972
Energy: 1.112013394117735
Energy: 1.1228838762120834
Energy: 1.157440863181534
Energy: 1.1545438472461524
Energy: 1.1574408631797994
Energy: 1.1228838762120834
Energy: 1.1574408631797994
Energy: 1.1564617760650133
Energy: 1.1572817108950477
Energy: 1.1567017009664204
Energy: 1.1572817108967823
Energy: 1.1564617760650133
Energy: 1.1572817108950477
Energy: 1.153779723951137
Energy: 1.2419514066885184
Energy: 1.1563567193615603
Energy: 1.2419514066885184
Energy: 1.153779723951137
Energy: 1.2419514066885184
Energy: 1.1552677559802942
Energy: 1.1550652539678885
Energy: 1.1549971869336442
Energy: 1.1550652539661537
Energy: 1.1552677559802942
Energy: 1.1550652539661537
Energy: 1.1573943842695134
Energy: 1.2772002535579186
Energy: 1.1120516417788244
Energy: 1.2772002535631228
Energy: 1.1573943842677787
Energy: 1.2772002535596534
Energy: 1.1574952833864502
Energy: 1.1581078648599883
Energy: 1.1164027530849656
Energy: 1.1581078648669274
Energy: 1.1574952833847154
Energy: 1.1581078648582537
Energy: 1.1541840157059484
Energy: 1.1570938408381992
Energy: 1.1574315973979914
Energy: 1.1570938408347298
Energy: 1.1541840157059484
Energy: 1.1570938408347298

minimum gb energy = 1.110404959050105 eV
minimum distance =  2.26746076828419 Angstroms
sigma value = 17


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

Energy: 1.5097235231571582
Energy: 1.7475358916487906
Energy: 1.4418023951061214
Energy: 1.7475358916494608
Energy: 1.5097235231551485
Energy: 1.7475358916487906
Energy: 1.0863092441424052
Energy: 1.0779710218513312
Energy: 1.0400685825846985
Energy: 1.0779710218513312
Energy: 1.0863092441424052
Energy: 1.0779710218513312
Energy: 1.0231123321260487
Energy: 1.156197350364689
Energy: 1.2367466521392194
Energy: 1.1561973503640188
Energy: 1.0231123321260487
Energy: 1.156197350363349
Energy: 1.0812542906294818
Energy: 1.0406303131678625
Energy: 1.144083776903313
Energy: 1.0406303131678625
Energy: 1.0812542906301514
Energy: 1.0406303131671923
Energy: 1.0390492464950942
Energy: 1.137889746051822
Energy: 1.145244848458429
Energy: 1.137889746051822
Energy: 1.039049246494424
Energy: 1.137889746051822
Energy: 1.1957873691425922
Energy: 1.023880075006397
Energy: 1.1525264091312448
Energy: 1.0238800750090766
Energy: 1.1957873691425922
Energy: 1.0238800750130963
Energy: 1.0415473772707162
Energy: 1.1942258671235018
Energy: 1.1797496284986717
Energy: 1.1942258671248418
Energy: 1.0415473772707162
Energy: 1.1942258671248418
Energy: 1.2801339157534848
Energy: 1.0400377356217625
Energy: 1.0394281729736248
Energy: 1.0400377356217625
Energy: 1.2801339157534848
Energy: 1.0400377356210928
Energy: 1.1559585788083488
Energy: 1.0255367245391473
Energy: 1.0792897971645452
Energy: 1.0255367245404872
Energy: 1.1559585788076792
Energy: 1.0255367245404872
Energy: 1.2935699144269468
Energy: 1.138416623448094
Energy: 1.0406027970682803
Energy: 1.138416623448094
Energy: 1.293569914424937
Energy: 1.1384166234474242
Energy: 1.1480438393893733
Energy: 1.4065798807820427
Energy: 1.160833584362848
Energy: 1.4065798807813725
Energy: 1.1480438393893733
Energy: 1.406579880780033
Energy: 1.081759111131622
Energy: 1.0784995294555129
Energy: 1.0258126184745398
Energy: 1.0784995294548425
Energy: 1.0817591111329619
Energy: 1.0784995294548425
Energy: 1.0401261674906381
Energy: 1.0297081536209425
Energy: 1.4932418340060098
Energy: 1.0297081536209425
Energy: 1.0401261674906381
Energy: 1.0297081536209425
Energy: 1.080118609760069
Energy: 1.184104791854923
Energy: 1.5050918742841048
Energy: 1.1841047918542533
Energy: 1.0801186097607391
Energy: 1.1841047918535834
Energy: 1.0784356063575489
Energy: 1.6678253500497797
Energy: 1.1599251879954278
Energy: 1.6678253500497797
Energy: 1.078435606358889
Energy: 1.6678253500497797
Energy: 1.1445374914607238
Energy: 1.2310734841708735
Energy: 1.0261888244253023
Energy: 1.2310734841702033
Energy: 1.1445374914607238
Energy: 1.2310734841702033
Energy: 1.143314889797726
Energy: 1.0426638587810264
Energy: 1.0571809774959722
Energy: 1.0426638587796866
Energy: 1.1433148897983962
Energy: 1.0426638587803563
Energy: 1.5130243884336478
Energy: 1.1958864587202922
Energy: 1.0789204371623464
Energy: 1.1958864587209623
Energy: 1.513024388434318
Energy: 1.1958864587209623
Energy: 1.5076477309773002
Energy: 1.0233731460169408
Energy: 1.0403949894514726
Energy: 1.0233731460162712
Energy: 1.50764773097864
Energy: 1.0233731460169408
Energy: 1.040504207957617
Energy: 1.4532336315405037
Energy: 1.0407843413305755
Energy: 1.4532336315378243
Energy: 1.040504207956947
Energy: 1.453233631539164
Energy: 1.0405981882414495
Energy: 1.0233293306754958
Energy: 1.3270439064123523
Energy: 1.023329330674156
Energy: 1.0405981882421194
Energy: 1.023329330674156
Energy: 1.079342137610672
Energy: 1.1959065247296465
Energy: 1.5128194058963031
Energy: 1.1959065247289766
Energy: 1.079342137610002
Energy: 1.1959065247283067
Energy: 1.0787573597462259
Energy: 1.042771084035988
Energy: 1.1432197292473212
Energy: 1.042771084036658
Energy: 1.0787573597455562
Energy: 1.042771084035988
Energy: 1.0261765418379978
Energy: 1.0395660890780767
Energy: 1.1444806072964615
Energy: 1.039566089080756
Energy: 1.026176541838668
Energy: 1.0395660890814262
Energy: 1.159693617879882
Energy: 1.667786837746077
Energy: 1.0579510437519049
Energy: 1.667786837746077
Energy: 1.1596936178812218
Energy: 1.6677868377467466
Energy: 1.5049225096832064
Energy: 1.1838396172035661
Energy: 1.0794437505111314
Energy: 1.183839617204236
Energy: 1.5049225096798569
Energy: 1.183839617204236
Energy: 1.4928258340476093
Energy: 1.0303809833710296
Energy: 1.0402061384193766
Energy: 1.0303809833703599
Energy: 1.4928258340476093
Energy: 1.0303809833710296
Energy: 1.025988475808623
Energy: 1.0787256254459203
Energy: 1.0815756513965946
Energy: 1.0787256254459203
Energy: 1.025988475808623
Energy: 1.0787256254465902
Energy: 1.160831104225647
Energy: 1.4066797131620425
Energy: 1.1480567465255276
Energy: 1.4066797131627125
Energy: 1.1608311042269865
Energy: 1.4066797131620425
Energy: 1.0408378539657417
Energy: 1.1384166234454143
Energy: 1.2934394372756677
Energy: 1.1384166234460842
Energy: 1.0408378539657417
Energy: 1.1384166234460842
Energy: 1.0793015388225715
Energy: 1.0256076359050696
Energy: 1.1558023073660957
Energy: 1.0256076359050696
Energy: 1.0793015388219018
Energy: 1.0256076359030601
Energy: 1.0397592506575117
Energy: 1.0401995513956115
Energy: 1.2799260143999012
Energy: 1.0401995513956115
Energy: 1.039759250658182
Energy: 1.0401995513956115
Energy: 1.1799359472573046
Energy: 1.1940795765778
Energy: 1.0415453453713246
Energy: 1.1940795765764602
Energy: 1.1799359472646735
Energy: 1.1940795765764602
Energy: 1.1524984012480952
Energy: 1.02389844465052
Energy: 1.1957999070796452
Energy: 1.023898444633102
Energy: 1.1524984012480952
Energy: 1.023898444656549
Energy: 1.145135068945235
Energy: 1.1378897460511523
Energy: 1.0389103646929116
Energy: 1.1378897460504824
Energy: 1.1451350689445652
Energy: 1.1378897460511523
Energy: 1.1441715008896982
Energy: 1.039887998995332
Energy: 1.0817775257859321
Energy: 1.0398879989960021
Energy: 1.144171500890368
Energy: 1.039887998995332
Energy: 1.2367317217269727
Energy: 1.1562533366645422
Energy: 1.0231207356158716
Energy: 1.156253336666552
Energy: 1.2367317217283125
Energy: 1.156253336666552
Energy: 1.0400543626476568
Energy: 1.0778497062988888
Energy: 1.0862165639414412
Energy: 1.0778497062988888
Energy: 1.0400543626476568
Energy: 1.0778497062988888
Energy: 1.1636991042590288
Energy: 1.7475358916494608
Energy: 1.5097235231564885
Energy: 1.7475358916494608
Energy: 1.1636991042610383
Energy: 1.7475358916494608
Energy: 1.0400685825840288
Energy: 1.077971021852671
Energy: 1.0863092441417352
Energy: 1.0779710218513312
Energy: 1.0400685825846985
Energy: 1.0779710218520013
Energy: 1.236746652139889
Energy: 1.1561973503653586
Energy: 1.0231123321267184
Energy: 1.1561973503653586
Energy: 1.236746652139889
Energy: 1.1561973503653586
Energy: 1.1440837769039827
Energy: 1.0406303131698722
Energy: 1.0812542906288116
Energy: 1.0406303131698722
Energy: 1.1440837769046528
Energy: 1.0406303131685322
Energy: 1.145244848458429
Energy: 1.1378897460511523
Energy: 1.039049246494424
Energy: 1.1378897460511523
Energy: 1.1452448484590991
Energy: 1.1378897460511523

minimum gb energy = 1.0231123321260487 eV
minimum distance =  2.25438851813852 Angstroms
sigma value = 57


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

Energy: 1.1191904459027715
Energy: 0.922424495844288
Energy: 1.4097434121334953
Energy: 0.9224244957745277
Energy: 1.1191904459027715
Energy: 0.922424495809383
Energy: 1.0193401377697149
Energy: 0.9664363646957586
Energy: 0.9659110213336503
Energy: 0.9664363646968495
Energy: 1.0193401377708056
Energy: 0.9664363646968495
Energy: 0.917474240492292
Energy: 1.155002934795701
Energy: 0.9685809391987665
Energy: 1.1550029348000639
Energy: 0.9174742404944737
Energy: 1.1550029347989732
Energy: 1.2695534778665136
Energy: 1.1156502800431618
Energy: 1.1148065555115891
Energy: 1.1156502800398895
Energy: 1.2695534778643318
Energy: 1.1156502800409802
Energy: 0.9170968094863637
Energy: 1.062214682565284
Energy: 1.124151342757253
Energy: 1.0622146825663747
Energy: 0.9170968094874546
Energy: 1.062214682565284
Energy: 1.2670336212787987
Energy: 1.114647830037478
Energy: 1.1147038828839784
Energy: 1.1146478300331149
Energy: 1.2670336212798894
Energy: 1.1146478300331149
Energy: 0.9177672039704562
Energy: 1.1572858411424745
Energy: 0.9690309516727018
Energy: 1.1572858411435654
Energy: 0.9177672039693654
Energy: 1.1572858411435654
Energy: 0.9211432096903638
Energy: 1.0347205306875131
Energy: 0.9657087440072967
Energy: 1.0347205306864717
Energy: 0.9211432096914546
Energy: 1.0347205306864717
Energy: 1.1215839517560906
Energy: 0.9199767088948408
Energy: 0.9682980345438386
Energy: 0.9199767088915685
Energy: 1.1215839517571817
Energy: 0.9199767088926593
Energy: 1.097639315759356
Energy: 0.9717750452738042
Energy: 0.9660774354847994
Energy: 0.9717750452759857
Energy: 1.097639315759356
Energy: 0.9717750452727134
Energy: 0.9175840940154262
Energy: 0.9172208664136108
Energy: 1.117234448253969
Energy: 0.9172208664441526
Energy: 0.9175840940154262
Energy: 0.9172208664223369
Energy: 1.0631697719711812
Energy: 1.1162602686727525
Energy: 1.1174839773677023
Energy: 1.116260268670571
Energy: 1.0631697719689999
Energy: 1.1162602686716618
Energy: 0.9179564152360473
Energy: 1.1397316331560075
Energy: 1.1198466703970533
Energy: 1.1397316331570984
Energy: 0.9179564152360473
Energy: 1.1397316331603706
Energy: 1.2711344399679354
Energy: 1.10263038980341
Energy: 1.1174158592215102
Energy: 1.1026303898055916
Energy: 1.271134439969026
Energy: 1.1026303898055916
Energy: 0.9187244083033256
Energy: 1.1566231165594596
Energy: 0.9682252040079994
Energy: 1.1566231165638226
Energy: 0.9187244083033256
Energy: 1.1566231165649132
Energy: 0.9220745758132143
Energy: 1.012602040279525
Energy: 0.966615409449803
Energy: 1.0126020402817066
Energy: 0.9220745758132143
Energy: 1.0126020402849294
Energy: 1.1217600253928839
Energy: 1.097677948917134
Energy: 0.9675788653444504
Energy: 1.097677948941131
Energy: 1.1217600253928839
Energy: 1.0976779489182247
Energy: 1.1594040061596051
Energy: 1.158415267675255
Energy: 0.9678383406486122
Energy: 1.1584152676785273
Energy: 1.1594040061563329
Energy: 1.1584152676774369
Energy: 0.919445134739965
Energy: 0.9203039040783499
Energy: 1.1179950228310431
Energy: 0.9203039040838039
Energy: 0.919445134739965
Energy: 0.9203039040848946
Energy: 1.1587844244574879
Energy: 1.139806063602074
Energy: 1.1155535349278216
Energy: 1.1398060636053462
Energy: 1.158784424452034
Energy: 1.1398060636053462
Energy: 0.91969630861107
Energy: 1.1391799948118118
Energy: 1.1173406085767772
Energy: 1.1391799948063577
Energy: 0.91969630861107
Energy: 1.1391799948074484
Energy: 0.9188121449190787
Energy: 0.9184760671235792
Energy: 1.115421345219567
Energy: 0.9184760671213976
Energy: 0.918812144917988
Energy: 0.9184760671235792
Energy: 0.9196162695505452
Energy: 1.1566252132185257
Energy: 0.9685037257405341
Energy: 1.1566252132130719
Energy: 0.9196162695505452
Energy: 1.1566252132119812
Energy: 1.1219429371869944
Energy: 1.0959857875494219
Energy: 0.9688627202077909
Energy: 1.0959857875472405
Energy: 1.1219429371859038
Energy: 1.0959857875472405
Energy: 1.123461070292856
Energy: 1.0950976522701974
Energy: 0.9675082582579921
Energy: 1.0950976522625622
Energy: 1.123461070292856
Energy: 1.09509765225929
Energy: 0.9186562199290692
Energy: 1.1565975951103191
Energy: 0.9677411554503567
Energy: 1.1565975951157728
Energy: 0.9186562199290692
Energy: 1.1565975951157728
Energy: 0.920368567775667
Energy: 0.91721736037093
Energy: 1.1153149116964023
Energy: 0.9172173603731116
Energy: 0.920368567775667
Energy: 0.9172173603742023

minimum gb energy = 0.9170968094863637 eV
minimum distance =  2.31284322305359 Angstroms
sigma value = 43


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

Energy: 1.0751299855047771
Energy: 0.9039206078448476
Energy: 1.1809637384762368
Energy: 0.9039206078448476
Energy: 1.0751299855039824
Energy: 0.9039206078440529
Energy: 0.8800389066603816
Energy: 0.9903584341297698
Energy: 0.9284662350123971
Energy: 0.9903584341297698
Energy: 0.8800389066699185
Energy: 0.9903584341297698
Energy: 0.9296064239213121
Energy: 1.1323123560599466
Energy: 1.1537514342479263
Energy: 1.132312356059152
Energy: 0.9296064239213121
Energy: 1.1323123560599466
Energy: 1.1277033942959922
Energy: 0.9300168404373401
Energy: 1.057679068303163
Energy: 0.9300168404381349
Energy: 1.127703394296787
Energy: 0.9300168404381349
Energy: 0.928468869424578
Energy: 1.0884590649301225
Energy: 0.9883096511169995
Energy: 1.0884590649309172
Energy: 0.928468869424578
Energy: 1.0884590649309172
Energy: 1.0783941953053917
Energy: 1.0772868091140777
Energy: 0.9038018915684284
Energy: 1.077286809113283
Energy: 1.0783941953053917
Energy: 1.0772868091124879
Energy: 0.903433670062339
Energy: 1.077348181721128
Energy: 0.995490151250235
Energy: 1.0773481817203334
Energy: 0.9034336700631339
Energy: 1.0773481817203334
Energy: 0.9461390719458754
Energy: 1.0893863225874576
Energy: 0.9300167532765772
Energy: 1.0893863225866631
Energy: 0.9461390719450806
Energy: 1.0893863225874576
Energy: 1.058763514461767
Energy: 0.9291600468755109
Energy: 1.1342238298206355
Energy: 0.9291600468763056
Energy: 1.0587635144625618
Energy: 0.9291600468818689
Energy: 1.2416282942222139
Energy: 1.132607879830356
Energy: 0.9286195494619708
Energy: 1.1326078798295613
Energy: 1.241628294221419
Energy: 1.1326078798295613
Energy: 0.9299550373218644
Energy: 1.0276773825267662
Energy: 1.4815021771801304
Energy: 1.0276773825259713
Energy: 0.9299550373218644
Energy: 1.0276773825259713
Energy: 0.9941645052494298
Energy: 0.901649486780151
Energy: 1.0755951685036875
Energy: 0.9016494867809457
Energy: 0.9941645052486351
Energy: 0.9016494867809457
Energy: 0.9296266498515058
Energy: 0.9898866432828519
Energy: 1.1330896551855056
Energy: 0.9898866432844414
Energy: 0.9296266498515058
Energy: 0.9898866432844414
Energy: 1.058642250732968
Energy: 0.9278422362081107
Energy: 0.9283378148478351
Energy: 0.9278422362081107
Energy: 1.0586422507337627
Energy: 0.9278422362097001
Energy: 1.057374836625632
Energy: 0.9278105956815943
Energy: 0.9920914688853036
Energy: 0.927810595682389
Energy: 1.057374836625632
Energy: 0.9278105956807995
Energy: 1.077647925493398
Energy: 1.172729487561858
Energy: 0.9308962506639769
Energy: 1.172729487561858
Energy: 1.0776479255029348
Energy: 1.172729487561063
Energy: 0.9032569367241116
Energy: 0.9020234366945793
Energy: 1.0775455148204744
Energy: 0.9020234366937846
Energy: 0.9032569367249064
Energy: 0.9020234366977582
Energy: 0.9909448917382695
Energy: 1.0772767106343395
Energy: 0.9032716381094155
Energy: 1.0772767106343395
Energy: 0.9909448917382695
Energy: 1.0772767106343395
Energy: 0.9906840348242313
Energy: 0.9906144240821694
Energy: 1.0586544094695873
Energy: 0.9906144240821694
Energy: 0.9906840348242313
Energy: 0.9906144240813747
Energy: 0.9297482041501033
Energy: 1.370374465686361
Energy: 1.057586080551206
Energy: 1.3703744656847716
Energy: 0.929748204150898
Energy: 1.3703744656855663
Energy: 0.9297401722902684
Energy: 1.1328224482364446
Energy: 0.9923304957439053
Energy: 1.1328224482380345
Energy: 0.9297401722894738
Energy: 1.1328224482380345
Energy: 1.4731644396359416
Energy: 0.9105469060718695
Energy: 0.9282937825114229
Energy: 0.9105469060742537
Energy: 1.4731644396359416
Energy: 0.9105469060734589
Energy: 1.5432775049196044
Energy: 1.3721664286683157
Energy: 0.989934203818584
Energy: 1.3721664286683157
Energy: 1.5432775049188097
Energy: 1.372166428667521
Energy: 0.9291815291966504
Energy: 1.1328761103481535
Energy: 0.9892732216021953
Energy: 1.1328761103481535
Energy: 0.9291815291966504
Energy: 1.132876110348948
Energy: 0.9302335800817306
Energy: 1.3689695981478427
Energy: 1.057797679746711
Energy: 1.3689695981478427
Energy: 0.9302335800825254
Energy: 1.368969598147048
Energy: 0.9905113583235551
Energy: 1.1153448705771012
Energy: 1.0582704449155922
Energy: 1.1153448705771012
Energy: 0.9905113583219656
Energy: 1.1153448705771012
Energy: 0.9920209613548183
Energy: 1.1705584912787101
Energy: 1.0768089200602182
Energy: 1.1705584912779152
Energy: 0.9920209613564077
Energy: 1.1705584912779152
Energy: 1.0768916039270728
Energy: 1.0410291400680947
Energy: 1.0768146722701768
Energy: 1.0410291400680947
Energy: 1.0768916039191252
Energy: 1.0410291400680947
Energy: 1.0768118939672793
Energy: 1.1705447265651268
Energy: 0.9556797004418641
Energy: 1.1705447265651268
Energy: 1.0768118939664844
Energy: 1.170544726564332
Energy: 1.0578420987712625
Energy: 1.1150147314929335
Energy: 0.9905171042864158
Energy: 1.1150147314913441
Energy: 1.0578420987704675
Energy: 1.1150147314929335
Energy: 1.0578322200340629
Energy: 1.3691667494114514
Energy: 0.9301616297187221
Energy: 1.3691667494106565
Energy: 1.0578322200332682
Energy: 1.3691667494106565
Energy: 0.9894212564006238
Energy: 1.1326096698459116
Energy: 0.9294427453978775
Energy: 1.1326096698467063
Energy: 0.9894212564006238
Energy: 1.1326096698459116
Energy: 0.9898903154873318
Energy: 1.3722277041719744
Energy: 1.3130826881432278
Energy: 1.3722277041703848
Energy: 0.989890315486537
Energy: 1.3722277041695898
Energy: 0.9284651384294416
Energy: 0.9103667423017965
Energy: 1.4732841038779225
Energy: 0.9103667422994122
Energy: 0.9284651384294416
Energy: 0.9103667422994122
Energy: 0.9921157214097628
Energy: 1.1329592719246762
Energy: 0.9297697051998567
Energy: 1.1329592719238812
Energy: 0.9921157214105576
Energy: 1.1329592719238812
Energy: 1.0576421794150335
Energy: 1.3702301516488768
Energy: 0.9298379287494274
Energy: 1.3702301516472872
Energy: 1.0576421794150335
Energy: 1.3702301516480822

minimum gb energy = 0.8800389066603816 eV
minimum distance =  2.28343905364546 Angstroms
sigma value = 81


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

Energy: 0.8056183389521353
Energy: 0.8043188820068239
Energy: 2.1349658282434034
Energy: 0.8043188820070895
Energy: 0.8056183389442377
Energy: 0.8043188820068239
Energy: 0.8038040934111247
Energy: 0.8050723614949226
Energy: 0.8056429449313134
Energy: 0.8050723614949226
Energy: 0.8038040934120206
Energy: 0.8050723614949226
Energy: 0.8057581768745882
Energy: 0.8057694852941548
Energy: 0.8034106038295484
Energy: 0.8057694852938893
Energy: 0.805758176873991
Energy: 0.8057694852938893
Energy: 2.134965828248679
Energy: 0.8043188820070895
Energy: 0.8056183389433751
Energy: 0.8043188820065253
Energy: 2.134965828248082
Energy: 0.8043188820068239
Energy: 0.8056429449450179
Energy: 0.8050723614951881
Energy: 0.803804093408802
Energy: 0.8050723614951881
Energy: 0.8056429449461793
Energy: 0.8050723614951881
Energy: 0.8034106038298471
Energy: 0.8057694852935906
Energy: 0.8057581768780724
Energy: 0.805769485293292
Energy: 0.8034106038286856
Energy: 0.805769485293292
Energy: 0.8056183389451337
Energy: 0.8043188820070895
Energy: 1.8009822280637704
Energy: 0.8043188820068239
Energy: 0.8056183389372361
Energy: 0.8043188820062266
Energy: 0.8038040934073419
Energy: 0.8050723614949226
Energy: 0.8056429449330721
Energy: 0.8050723614949226
Energy: 0.8038040934079391
Energy: 0.805072361494624
Energy: 0.8057581768871312
Energy: 0.8057694852938893
Energy: 0.8034106038310085
Energy: 0.8057694852941548
Energy: 0.8057581768871312
Energy: 0.8057694852941548
Energy: 1.2387650602395568
Energy: 0.8043188820065253
Energy: 0.8056183389503767
Energy: 0.8043188820068239
Energy: 1.238765060282462
Energy: 0.8043188820068239

minimum gb energy = 0.8034106038286856 eV
minimum distance =  2.30441017812982 Angstroms
sigma value = 3


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

Energy: 1.373398353416861
Energy: 1.3725950128845261
Energy: 1.625287557040539
Energy: 1.372595012879283
Energy: 1.3733983534142395
Energy: 1.372595012879283
Energy: 1.2326676886645167
Energy: 1.0326008331954268
Energy: 0.9428076619842839
Energy: 1.0326008331945529
Energy: 1.2326676886758765
Energy: 1.0326008331945529
Energy: 1.010990356039971
Energy: 1.0112613676955609
Energy: 1.176885255056457
Energy: 1.0112613676973086
Energy: 1.0109903560390971
Energy: 1.0112613676973086
Energy: 1.577882435350201
Energy: 1.403603419162858
Energy: 0.9464241854415734
Energy: 1.4036034191654796
Energy: 1.577882435350201
Energy: 1.4036034191663533
Energy: 0.9662570462653418
Energy: 0.9667002015122547
Energy: 1.1763097737936286
Energy: 0.9667002015087592
Energy: 0.9662570462653418
Energy: 0.9667002015087592
Energy: 1.1560436196197181
Energy: 1.1309696980255886
Energy: 0.9433665100595784
Energy: 1.13096969802821
Energy: 1.1560436196197181
Energy: 1.130969698027336
Energy: 0.9664055050700939
Energy: 0.9669408705488134
Energy: 1.0344363706183706
Energy: 0.9669408705496872
Energy: 0.9664055050692202
Energy: 0.9669408705496872
Energy: 0.9664215089282503
Energy: 1.4029746580721163
Energy: 0.9468474779371184
Energy: 1.4029746580712426
Energy: 0.9664215089282503
Energy: 1.4029746580703688
Energy: 1.0116782092546808
Energy: 1.1321185270236487
Energy: 1.4021182844051616
Energy: 1.1321185270245224
Energy: 1.011678209253807
Energy: 1.1321185270245224
Energy: 1.0129978195385905
Energy: 1.0322919353798428
Energy: 0.942436448921754
Energy: 1.0322919353789688
Energy: 1.0129978195377165
Energy: 1.0322919353798428
Energy: 1.371641123599131
Energy: 1.0671833343174313
Energy: 1.0332936361696536
Energy: 1.0671833343218007
Energy: 1.3716411236000048
Energy: 1.0671833343226742
Energy: 1.381824251175458
Energy: 0.9396579716096948
Energy: 0.9425147105954531
Energy: 0.9396579716166855
Energy: 1.381824251175458
Energy: 0.9396579716158118
Energy: 1.0112331823908787
Energy: 1.1515253353275778
Energy: 0.9441625508182613
Energy: 1.151525335331947
Energy: 1.0112331823925866
Energy: 1.151525335331947
Energy: 1.0121226758916302
Energy: 1.3224574333459793
Energy: 0.9461930621574226
Energy: 1.3224574333503487
Energy: 1.0121226758907562
Energy: 1.3224574333503487
Energy: 0.9647968343707991
Energy: 0.9658055640261924
Energy: 0.9479473764235058
Energy: 0.9658055640261924
Energy: 0.9647968343699252
Energy: 0.9658055640244447
Energy: 0.9654906581489301
Energy: 1.1310603645510406
Energy: 0.9429703000902662
Energy: 1.1310603645580315
Energy: 0.9654906581498038
Energy: 1.1310603645484194
Energy: 0.9647753564130057
Energy: 1.3998062103272304
Energy: 0.9433809457905362
Energy: 1.3998062103298516
Energy: 0.9647753564112579
Energy: 1.3998062103298516
Energy: 0.9657471617777377
Energy: 1.053268779265984
Energy: 0.9473255772349486
Energy: 1.0532687792677315
Energy: 0.9657471617777377
Energy: 1.0532687792686055
Energy: 1.0115620297696115
Energy: 1.3220919763167869
Energy: 0.9463758950158049
Energy: 1.3220919763229038
Energy: 1.0115620297696115
Energy: 1.3220919763220298
Energy: 1.0116047485317248
Energy: 1.0329246653029351
Energy: 0.9437109455128296
Energy: 1.0329246653073045
Energy: 1.0116047485308508
Energy: 1.0329246653073045
Energy: 1.3812881084679394
Energy: 1.0362498027957174
Energy: 0.9428444103559175
Energy: 1.0362498028000868
Energy: 1.3812881084688136
Energy: 1.0362498028000868
Energy: 1.3670532818756036
Energy: 1.0672377000085433
Energy: 1.032853222628989
Energy: 1.0672377000067956
Energy: 1.3670532818756036
Energy: 1.0672377000067956
Energy: 1.012723246773208
Energy: 1.0324536601247303
Energy: 0.9427197954269906
Energy: 1.0324536601282255
Energy: 1.0127232467705862
Energy: 1.0324536601282255
Energy: 1.011030418912827
Energy: 1.131927587401561
Energy: 1.4044381406920574
Energy: 1.131927587401561
Energy: 1.0110304189119528
Energy: 1.131927587401561
Energy: 0.9670105530516736
Energy: 1.0490360495435505
Energy: 0.9466569519543379
Energy: 1.0490360495461721
Energy: 0.9670105530490519
Energy: 1.0490360495461721
Energy: 0.9674840281641444
Energy: 1.0332917984698953
Energy: 1.1319058258461914
Energy: 1.0332917984672738
Energy: 0.9674840281641444
Energy: 1.033291798473351
Energy: 0.9673951481749222
Energy: 1.032606507507474
Energy: 0.9425193265529085
Energy: 1.032606507509222
Energy: 0.9673951481749222
Energy: 1.032606507509222
Energy: 0.9673161757152103
Energy: 0.9646164625374196
Energy: 1.1761996274218374
Energy: 0.9646164625339243
Energy: 0.9673161757160842
Energy: 0.9646164625330504
Energy: 1.153113851579195
Energy: 1.3020710521154661
Energy: 0.9479727206368734
Energy: 1.3020710521128445
Energy: 1.153113851579195
Energy: 1.3020710521145924
Energy: 1.01159131662559
Energy: 1.0118412417595435
Energy: 1.1762749761764995
Energy: 1.0118412417595435
Energy: 1.0115913166247164
Energy: 1.0118412417586697
Energy: 1.2320804977910016
Energy: 1.0331308980828033
Energy: 0.94295452578911
Energy: 1.0331308980862988
Energy: 1.2320804977683213
Energy: 1.0331308980871727
Energy: 1.3736220367552894
Energy: 1.3724138530771015
Energy: 1.0331017831305453
Energy: 1.37241385307448
Energy: 1.3736220367544554
Energy: 1.3724138530762275
Energy: 1.245982635292252
Energy: 1.0323154131742154
Energy: 0.9426690324946416
Energy: 1.0323154131759633
Energy: 1.245982635293126
Energy: 1.0323154131759633

minimum gb energy = 0.9396579716096948 eV
minimum distance =  2.2617899440973 Angstroms
sigma value = 67


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

Energy: 1.003713440195502
Energy: 1.7097462337101594
Energy: 1.6712384977573722
Energy: 1.7097462337101594
Energy: 1.0037134401967471
Energy: 1.7097462337114044
Energy: 1.5920323374730074
Energy: 1.0333776002849604
Energy: 0.9835938138700123
Energy: 1.0333776002862054
Energy: 1.5920323374705172
Energy: 1.0333776002899409
Energy: 1.0108126244651905
Energy: 1.1542451672687628
Energy: 1.2886030435357607
Energy: 1.1542451672687628
Energy: 1.0108126244639453
Energy: 1.1542451672724983
Energy: 1.3461814072250957
Energy: 1.3803734122355114
Energy: 0.9842405659633258
Energy: 1.3803734122355114
Energy: 1.3461814072263407
Energy: 1.3803734122355114
Energy: 0.9834698585257673
Energy: 1.6832214949440816
Energy: 1.3373932243388518
Energy: 1.6832214949415913
Energy: 0.9834698585257673
Energy: 1.6832214949428363
Energy: 0.9840255563488873
Energy: 1.0311814184722023
Energy: 0.9839309399042409
Energy: 1.0311814185257429
Energy: 0.9840255563463971
Energy: 1.0311814184734474
Energy: 1.0110398965414358
Energy: 1.032381286167117
Energy: 1.0330846730373935
Energy: 1.032381286167117
Energy: 1.011039896543926
Energy: 1.0323812861683621
Energy: 1.0316760361143675
Energy: 1.3623460579770463
Energy: 1.5900363401137096
Energy: 1.3623460579795368
Energy: 1.0316760361156128
Energy: 1.3623460579782916
Energy: 1.034764474385552
Energy: 1.0752983735447657
Energy: 1.5896500323310174
Energy: 1.0752983735410304
Energy: 1.0347644743843067
Energy: 1.0752983735410304
Energy: 1.0376629936535204
Energy: 1.0369443562516514
Energy: 1.0365473910139398
Energy: 1.0369443562516514
Energy: 1.0376629936547654
Energy: 1.0369443562516514
Energy: 0.9856734058336282
Energy: 1.3849331238338944
Energy: 1.034184795621088
Energy: 1.3849331238326492
Energy: 0.985673405832383
Energy: 1.3849331238326492
Energy: 0.9853760192926199
Energy: 1.0607939569333615
Energy: 0.9862649308157827
Energy: 1.0607939569308715
Energy: 0.9853760192963552
Energy: 1.0607939569308715
Energy: 1.034141061720225
Energy: 1.3848589671349683
Energy: 0.9854218685901437
Energy: 1.3848589671349683
Energy: 1.034141061720225
Energy: 1.3848589671362135
Energy: 1.0365121993394708
Energy: 1.0377912087647982
Energy: 1.037504279339729
Energy: 1.0377912087598178
Energy: 1.0365121993394708
Energy: 1.037791208762308
Energy: 1.5892815379334282
Energy: 1.0754162779717473
Energy: 1.0347047800330225
Energy: 1.0754162779717473
Energy: 1.5892815379334282
Energy: 1.075416277970502
Energy: 1.5901260331843179
Energy: 1.3627876050615406
Energy: 1.0314930619190148
Energy: 1.3627876050640308
Energy: 1.5901260331855631
Energy: 1.3627876050640308
Energy: 1.0330606181297841
Energy: 1.0322206811185104
Energy: 1.0314539574723018
Energy: 1.0322206811160202
Energy: 1.033060618128539
Energy: 1.0322206811160202
Energy: 0.9842698191416407
Energy: 1.0320912711462118
Energy: 0.9841474042032549
Energy: 1.0320912711648886
Energy: 0.9842698191428859
Energy: 1.032091271159908
Energy: 1.3376778452018665
Energy: 1.6845636776293105
Energy: 0.9834278560268629
Energy: 1.6845636776305557
Energy: 1.3376778452043567
Energy: 1.6845636776305557
Energy: 0.9840678904097966
Energy: 1.381376676225376
Energy: 1.347064842958704
Energy: 1.381376676225376
Energy: 0.9840678904110417
Energy: 1.3813766762266213
Energy: 1.2887840260824266
Energy: 1.154245167270008
Energy: 1.0309508643054837
Energy: 1.154245167270008
Energy: 1.2887840260824266
Energy: 1.1542451672662726
Energy: 0.9835679304736414
Energy: 1.0340563721842015
Energy: 1.591982938696912
Energy: 1.0340563721854465
Energy: 0.9835679304748866
Energy: 1.0340563721842015
Energy: 1.492779158654775
Energy: 1.7097462337051788
Energy: 1.0037134401967471
Energy: 1.7097462337039335
Energy: 1.4927791586535297
Energy: 1.7097462337051788

minimum gb energy = 0.9834278560268629 eV
minimum distance =  2.24639077286529 Angstroms
sigma value = 33


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

Energy: 1.3225938636344021
Energy: 0.9366650555645896
Energy: 1.7703339720472213
Energy: 0.9366650555645896
Energy: 1.3225938636336123
Energy: 0.9366650555645896
Energy: 1.4017810367014858
Energy: 1.4451968710292846
Energy: 0.9462529841869799
Energy: 1.4451968710284946
Energy: 1.401781036700696
Energy: 1.4451968710284946
Energy: 0.9467297073665752
Energy: 1.0738351719565293
Energy: 1.4065969089419814
Energy: 1.0738351719573194
Energy: 0.9467297073657854
Energy: 1.0738351719557393
Energy: 1.074944087780648
Energy: 1.3211807775543165
Energy: 0.9364249298703047
Energy: 1.321180777551157
Energy: 1.074944087780648
Energy: 1.3211807775535267
Energy: 1.3008133713195205
Energy: 1.3149320173209615
Energy: 1.313497509518395
Energy: 1.314932017324911
Energy: 1.3008133713195205
Energy: 1.3149320173217514
Energy: 1.3043961918242342
Energy: 0.9931598529991827
Energy: 0.946813445673353
Energy: 0.9931598529897041
Energy: 1.3043961918242342
Energy: 0.9931598529928637
Energy: 0.9468825751628581
Energy: 0.9947078638095594
Energy: 0.9926463113550136
Energy: 0.9947078638095594
Energy: 0.9468825751612785
Energy: 0.9947078638087695
Energy: 0.9924434090962647
Energy: 1.1840006025848673
Energy: 1.3020921475397242
Energy: 1.1840006025840775
Energy: 0.9924434090962647
Energy: 1.184000602585657
Energy: 1.3144778238531598
Energy: 1.250004373601282
Energy: 1.3004437829389828
Energy: 1.250004373601282
Energy: 1.3144778238539498
Energy: 1.250004373601282
Energy: 0.936423300117277
Energy: 0.9937059752002223
Energy: 0.9466628936862123
Energy: 0.9937059752049616
Energy: 0.936423300117277
Energy: 0.9937059752041718
Energy: 0.9465518150358748
Energy: 1.279910802630282
Energy: 0.9928532471505658
Energy: 1.2799108025868742
Energy: 0.9465518150366649
Energy: 1.2799108025868742
Energy: 0.947179904580133
Energy: 1.0319513926108503
Energy: 1.4787845514720255
Energy: 1.0319513926100605
Energy: 0.9471799045777634
Energy: 1.0319513926100605
Energy: 1.3706491880879965
Energy: 1.1184812374826973
Energy: 1.3135449903085925
Energy: 1.1184812374811175
Energy: 1.370649188086417
Energy: 1.1184812374811175
Energy: 0.9463315731574045
Energy: 1.4457569499248226
Energy: 0.9666937398756762
Energy: 1.4457569499240328
Energy: 0.9463315731589843
Energy: 1.445756949923243
Energy: 1.3122863597546925
Energy: 1.0755808202301975
Energy: 0.9478914678946045
Energy: 1.0755808202294077
Energy: 1.3122863597546925
Energy: 1.0755808202294077
Energy: 0.9363931459264487
Energy: 1.3337001754095952
Energy: 1.487409119916948
Energy: 1.3337001754111752
Energy: 0.936393145924869
Energy: 1.3337001754111752
Energy: 1.6398805474251665
Energy: 1.3180675711224898
Energy: 1.3010173120405628
Energy: 1.3180675711232799
Energy: 1.6398805474267462
Energy: 1.3180675711240697
Energy: 0.9469457707237132
Energy: 0.9931492388057962
Energy: 1.4382584377810517
Energy: 0.9931492388057962
Energy: 0.9469457707237132
Energy: 0.9931492388057962
Energy: 1.133720740684726
Energy: 0.9929176183141853
Energy: 0.9479196758018932
Energy: 0.9929176183141853
Energy: 1.133720740683936
Energy: 0.9929176183141853
Energy: 1.3031254044948457
Energy: 1.132467937314596
Energy: 0.9946950183297962
Energy: 1.132467937314596
Energy: 1.303125404494056
Energy: 1.132467937314596
Energy: 1.487739768445712
Energy: 1.4575628964207232
Energy: 0.9366865069592343
Energy: 1.4575628964215133
Energy: 1.487739768447292
Energy: 1.4575628964215133
Energy: 0.9478877616733273
Energy: 0.9928771490670409
Energy: 1.3179961570561722
Energy: 0.9928771490654611
Energy: 0.9478877616733273
Energy: 0.9928771490662511
Energy: 0.9931469203177239
Energy: 1.4066449290062744
Energy: 0.9482218825522841
Energy: 1.4066449290062744
Energy: 0.993146920316934
Energy: 1.406644929005484
Energy: 1.3169619737548535
Energy: 0.9466331956589558
Energy: 0.9463177069395712
Energy: 0.9466331956589558
Energy: 1.3169619737580127
Energy: 0.9466331956589558
Energy: 1.6686944909470227
Energy: 1.0314436010689385
Energy: 0.9464056956705301
Energy: 1.031443601069728
Energy: 1.668694490946233
Energy: 1.0314436010689385
Energy: 0.9924542009640268
Energy: 1.5945276586214574
Energy: 0.9474718525814287
Energy: 1.5945276586206674
Energy: 0.9924542009648168
Energy: 1.5945276586214574
Energy: 0.9467436409032332
Energy: 0.9945491256112502
Energy: 1.3144168149195319
Energy: 0.9945491256120401
Energy: 0.9467436409024433
Energy: 0.9945491256120401
Energy: 1.3048044431290229
Energy: 1.2463212384561586
Energy: 0.9367177404462738
Energy: 1.2463212384561586
Energy: 1.304804443128233
Energy: 1.2463212384553688
Energy: 1.3005101398881342
Energy: 1.131738630857443
Energy: 0.9929560993021661
Energy: 1.131738630858233
Energy: 1.3005101398881342
Energy: 1.1317386308558635
Energy: 0.9931452941199673
Energy: 0.9924624079115368
Energy: 0.9470362977040101
Energy: 0.9924624079107471
Energy: 0.9931452941199673
Energy: 0.9924624079115368
Energy: 0.9467958788004526
Energy: 1.0568243630428291
Energy: 1.4648474249437538
Energy: 1.0568243630483585
Energy: 0.9467958787996626
Energy: 1.0568243630491483
Energy: 1.3142009504602543
Energy: 1.3177075197258956
Energy: 1.303455134975475
Energy: 1.3177075197227361
Energy: 1.3142009504602543
Energy: 1.317707519724316
Energy: 0.9356021300886789
Energy: 1.3165934904860426
Energy: 1.6177499546008633
Energy: 1.316593490484463
Energy: 0.9356021300894688
Energy: 1.3165934904852528
Energy: 1.3169849799513322
Energy: 1.073944825404725
Energy: 0.9466922217788856
Energy: 1.073944825404725
Energy: 1.316984979952122
Energy: 1.073944825404725
Energy: 0.9461488325231089
Energy: 1.4446766190262625
Energy: 1.4110229838733004
Energy: 1.4446766190246825
Energy: 0.9461488325231089
Energy: 1.4446766190254725
Energy: 1.3726704474933713
Energy: 1.1171491963591096
Energy: 1.3280226252629668
Energy: 1.1171491963583198
Energy: 1.3726704474925817
Energy: 1.1171491963583198
Energy: 0.9482153706285988
Energy: 1.4637411063073003
Energy: 1.4009018778135855
Energy: 1.46374110630809
Energy: 0.9482153706278089
Energy: 1.46374110630809

minimum gb energy = 0.9356021300886789 eV
minimum distance =  2.22154971080879 Angstroms
sigma value = 41


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

Energy: 0.7083618495688905
Energy: 0.7408104027721216
Energy: 1.6997703712484233
Energy: 0.7408104027742783
Energy: 0.708361849571047
Energy: 0.7408104027764348
Energy: 1.4102410288967957
Energy: 0.7377003518913996
Energy: 0.7373235013604756
Energy: 0.7377003518935563
Energy: 1.4102410288967957
Energy: 0.7377003518935563
Energy: 0.7089025221555127
Energy: 0.9810928288335192
Energy: 0.739453163204471
Energy: 0.9810928288313625
Energy: 0.7089025221555127
Energy: 0.9810928288313625
Energy: 1.4068143022516122
Energy: 0.7379623627648416
Energy: 0.7371384454439261
Energy: 0.7379623627648416
Energy: 1.4068143022516122
Energy: 0.7379623627648416
Energy: 0.7090139389927622
Energy: 0.7415075220429709
Energy: 0.7397309516314929
Energy: 0.7415075220408142
Energy: 0.7090139389927622
Energy: 0.7415075220408142
Energy: 0.7102054870875043
Energy: 0.7771123327440215
Energy: 0.7374731369725578
Energy: 0.7771123327461782
Energy: 0.7102054870875043
Energy: 0.7771123327440215
Energy: 1.4081143927476019
Energy: 0.7393252449345271
Energy: 0.7413076958227577
Energy: 0.7393252449345271
Energy: 1.4081143927411321
Energy: 0.7393252449366838
Energy: 0.7111095501324287
Energy: 0.73778226042406
Energy: 0.7372031399993536
Energy: 0.7377822604283734
Energy: 0.7111095501324287
Energy: 0.7377822604283734
Energy: 1.405880534615846
Energy: 0.7779843153956292
Energy: 0.7422398208153093
Energy: 0.7779843153977858
Energy: 1.4058805356505353
Energy: 0.7779843153977858
Energy: 0.7110883565071117
Energy: 0.7379048101719398
Energy: 0.7381731116729402
Energy: 0.7379048101719398
Energy: 0.7110883565092682
Energy: 0.7379048101719398
Energy: 1.4126642984141182
Energy: 0.7409250988729396
Energy: 0.7429246184551659
Energy: 0.7409250988686754
Energy: 1.4126642984162752
Energy: 0.7409250988686754
Energy: 0.710754066186693
Energy: 0.981185958868202
Energy: 1.5520109408356475
Energy: 0.9811859588746719
Energy: 0.7107540661845364
Energy: 0.9811859588746719
Energy: 1.4114353455584574
Energy: 0.7422955376345702
Energy: 0.7423222332413538
Energy: 0.7422955376345702
Energy: 1.4114353455584574
Energy: 0.7422955376345702
Energy: 0.7110988174621781
Energy: 0.737623826289204
Energy: 0.7381801245541558
Energy: 0.7376238262913607
Energy: 0.7110988174621781
Energy: 0.7376238262935173

minimum gb energy = 0.7083618495688905 eV
minimum distance =  2.34346203377591 Angstroms
sigma value = 11


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

Energy: 1.5508104971537207
Energy: 1.0534135311578579
Energy: 1.089309238426235
Energy: 1.053413531155016
Energy: 1.5508104971537207
Energy: 1.053413531155016
Energy: 1.0385628184866356
Energy: 1.0497667795797554
Energy: 1.0359358744465965
Energy: 1.0497667795778607
Energy: 1.0385628184866356
Energy: 1.0497667795778607
Energy: 1.0392975772609183
Energy: 1.3441780211338252
Energy: 1.0361709872456082
Energy: 1.3441780211347727
Energy: 1.0392975772609183
Energy: 1.344178021132878
Energy: 1.047934649728968
Energy: 1.0509068399000703
Energy: 1.0359193608282866
Energy: 1.0509068399000703
Energy: 1.0479346497280206
Energy: 1.0509068399000703
Energy: 1.0373179552486111
Energy: 1.0392913678095368
Energy: 1.047779067771793
Energy: 1.0392913678085893
Energy: 1.037317955247664
Energy: 1.0392913678095368
Energy: 1.079990596784401
Energy: 1.0601649058013296
Energy: 1.0394802395352474
Energy: 1.0601649058003824
Energy: 1.079990596784401
Energy: 1.0601649057994347
Energy: 1.0491328786132808
Energy: 1.3677260900443267
Energy: 1.0801621932290093
Energy: 1.3677260900443267
Energy: 1.0491328786142284
Energy: 1.3677260900443267
Energy: 1.0385168520476564
Energy: 1.0477647529715763
Energy: 1.0364262289372346
Energy: 1.0477647529725238
Energy: 1.0385168520476564
Energy: 1.0477647529725238
Energy: 1.038449182687328
Energy: 1.387251479663079
Energy: 1.0364167055469298
Energy: 1.387251479663079
Energy: 1.038449182687328
Energy: 1.3872514796621316
Energy: 1.0977000289493815
Energy: 1.051534444437975
Energy: 1.049126531362253
Energy: 1.0515344444370278
Energy: 1.0977000289493815
Energy: 1.051534444437975
Energy: 1.0513952860148819
Energy: 1.0378500536981516
Energy: 1.0799490198176713
Energy: 1.0378500536981516
Energy: 1.0513952860148819
Energy: 1.0378500536981516
Energy: 1.0391405813314631
Energy: 1.1611343929475546
Energy: 1.081560597303695
Energy: 1.1611343929475546
Energy: 1.0391405813305155
Energy: 1.1611343929475546
Energy: 1.0358916338428064
Energy: 1.0483779145006191
Energy: 1.2368072534054602
Energy: 1.0483779145006191
Energy: 1.035891633844701
Energy: 1.0483779145006191
Energy: 1.04993117876305
Energy: 1.3844227455369875
Energy: 1.0517698446186359
Energy: 1.3844227455369875
Energy: 1.04993117876305
Energy: 1.3844227455369875
Energy: 1.036126212468954
Energy: 1.3848633760538431
Energy: 1.0390759010280697
Energy: 1.3848633760538431
Energy: 1.036126212468954
Energy: 1.3848633760538431
Energy: 1.0500406125569224
Energy: 1.0379708799300884
Energy: 1.1232763711236238
Energy: 1.0379708799300884
Energy: 1.0500406125569224
Energy: 1.0379708799291407
Energy: 1.0805802815308485
Energy: 1.0389650462978404
Energy: 1.0381678563209342
Energy: 1.038965046296893
Energy: 1.0805802815308485
Energy: 1.0389650462978404
Energy: 1.0375682901579548
Energy: 1.3992865214310837
Energy: 1.0370197586666605
Energy: 1.399286521432031
Energy: 1.0375682901589025
Energy: 1.3992865214301362
Energy: 1.0476308333662243
Energy: 1.0494116106614784
Energy: 1.0505343368317313
Energy: 1.0494116106614784
Energy: 1.0476308333662243
Energy: 1.0494116106624258
Energy: 1.0367618292411647
Energy: 1.053849705244175
Energy: 1.0364685148740025
Energy: 1.053849705244175
Energy: 1.0367618292411647
Energy: 1.053849705244175
Energy: 1.08129932496267
Energy: 1.161774212287719
Energy: 1.03894501900191
Energy: 1.161774212288645
Energy: 1.08129932496267
Energy: 1.161774212288645
Energy: 1.0810678479636997
Energy: 1.0370802536466042
Energy: 1.0505228448974109
Energy: 1.0370802536466042
Energy: 1.0810678479655944
Energy: 1.0370802536466042
Energy: 1.0485504091254676
Energy: 1.0505531910763357
Energy: 1.0987713537965744
Energy: 1.050553191072546
Energy: 1.0485504091254676
Energy: 1.0505531910715986
Energy: 1.0361502192643597
Energy: 1.3859704873718852
Energy: 1.0384719979671915
Energy: 1.3859704873728327
Energy: 1.0361502192624648
Energy: 1.3859704873718852
Energy: 1.0379758351380366
Energy: 1.0528091499020424
Energy: 1.0395002353555036
Energy: 1.0528091499020424
Energy: 1.0379758351380366
Energy: 1.0528091499020424
Energy: 1.0804421901002739
Energy: 1.3674770371504679
Energy: 1.0481790735156316
Energy: 1.3674770371514156
Energy: 1.0804421900993264
Energy: 1.3674770371514156
Energy: 1.0395036800011928
Energy: 1.060089405542779
Energy: 1.0370884861728402
Energy: 1.060089405542779
Energy: 1.03950368000214
Energy: 1.0600894055418315
Energy: 1.0476602715929986
Energy: 1.038061983488323
Energy: 1.0800682851838506
Energy: 1.0380619834873752
Energy: 1.047660271592051
Energy: 1.038061983488323
Energy: 1.036297407714527
Energy: 1.0490028493095542
Energy: 1.0491396270339959
Energy: 1.0490028493086065
Energy: 1.036297407714527
Energy: 1.0490028493095542
Energy: 1.0361695234745567
Energy: 1.3461824674950105
Energy: 1.0389994991327773
Energy: 1.3461824674950105
Energy: 1.0361695234755042
Energy: 1.3461824674950105
Energy: 1.035961410955924
Energy: 1.3859141679188054
Energy: 1.038565435487819
Energy: 1.3859141679197526
Energy: 1.035961410955924
Energy: 1.3859141679197526

minimum gb energy = 1.0358916338428064 eV
minimum distance =  2.22388026037582 Angstroms
sigma value = 57


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

Energy: 1.234346513580597
Energy: 1.441620678864129
Energy: 1.2103644303351673
Energy: 1.4416206788658152
Energy: 1.234346513580597
Energy: 1.4416206788658152
Energy: 1.192919664105065
Energy: 1.1679285620893973
Energy: 1.1659934138467691
Energy: 1.167928562059051
Energy: 1.1929196641034174
Energy: 1.1679285620843394
Energy: 1.1661751955991866
Energy: 1.39929664098434
Energy: 1.1663096692589046
Energy: 1.39929664098434
Energy: 1.1661751956025583
Energy: 1.39929664098434
Energy: 1.1663262416598958
Energy: 1.5152117411787016
Energy: 1.1666795843144897
Energy: 1.5152117411787016
Energy: 1.1663262416615818
Energy: 1.5152117411787016
Energy: 1.1662867813426474
Energy: 1.3992326579469332
Energy: 1.1669096582449925
Energy: 1.3992326579469332
Energy: 1.1662867813426474
Energy: 1.3992326579469332
Energy: 1.1667999554740731
Energy: 1.1679011705570077
Energy: 1.1931961202549801
Energy: 1.1679011705216036
Energy: 1.1667999554723871
Energy: 1.1679011705064306
Energy: 1.2093836948469445
Energy: 1.4416206788658152
Energy: 1.2343465135822833
Energy: 1.441620678864129
Energy: 1.2093836948452585
Energy: 1.4416206788658152
Energy: 1.1659934138467691
Energy: 1.167928562062423
Energy: 1.1929196641067508
Energy: 1.1679285620725381
Energy: 1.1659934138467691
Energy: 1.1679285620708522
Energy: 1.1663096692589046
Energy: 1.39929664098434
Energy: 1.1661751956008726
Energy: 1.39929664098434
Energy: 1.1663096692589046
Energy: 1.3992966409860255
Energy: 1.1666795843128037
Energy: 1.2708501999368351
Energy: 1.1663262416582099
Energy: 1.270850199493632
Energy: 1.1666795843144897
Energy: 1.2708501996823778
Energy: 1.1669096582382872
Energy: 1.3992326579486192
Energy: 1.1662867813426474
Energy: 1.3992326579469332
Energy: 1.1669096582366014
Energy: 1.3992326579486192
Energy: 1.1931961202549801
Energy: 1.167901170513174
Energy: 1.1667999554723871
Energy: 1.1679011705114881
Energy: 1.193196120253294
Energy: 1.1679011704912572
Energy: 1.234346513580597
Energy: 1.441620678864129
Energy: 1.2093836948486303
Energy: 1.441620678864129
Energy: 1.234346513580597
Energy: 1.4416206788658152
Energy: 1.192919664108437
Energy: 1.1679285620371724
Energy: 1.1659934138467691
Energy: 1.167928562057365
Energy: 1.192919664108437
Energy: 1.1679285620539932
Energy: 1.1661751956328665
Energy: 1.39929664098434
Energy: 1.1663096692589046
Energy: 1.39929664098434
Energy: 1.1661751956278088
Energy: 1.3992966409860255
Energy: 1.1663262416598958
Energy: 1.3440850612671877
Energy: 1.166679584311118
Energy: 1.3440850612671877
Energy: 1.1663262416598958
Energy: 1.3440850612671877
Energy: 1.1662867813426474
Energy: 1.3992326579486192
Energy: 1.1669096582433065
Energy: 1.3992326579469332
Energy: 1.1662867813426474
Energy: 1.3992326579469332

minimum gb energy = 1.1659934138467691 eV
minimum distance =  2.26408293459136 Angstroms
sigma value = 9


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

Energy: 1.3954253404458554
Energy: 1.1619283698940612
Energy: 1.2752919861842225
Energy: 1.1619283698624323
Energy: 1.3954253404458554
Energy: 1.1619283698830805
Energy: 1.2531315881147884
Energy: 1.1919414321242434
Energy: 1.1593759690661363
Energy: 1.1919414321159842
Energy: 1.2531315881147884
Energy: 1.1919414321214903
Energy: 1.1718191855758293
Energy: 1.1730398398408977
Energy: 1.1515338269507822
Energy: 1.1730398398395212
Energy: 1.1718191855758293
Energy: 1.1730398398408977
Energy: 1.173933364494332
Energy: 1.1718575607813553
Energy: 1.2443627062637908
Energy: 1.1718575607799788
Energy: 1.173933364494332
Energy: 1.1718575607786021
Energy: 1.2529264580197816
Energy: 1.2626286834081246
Energy: 1.164510452672818
Energy: 1.262628683403995
Energy: 1.2529264580197816
Energy: 1.262628683403995
Energy: 1.1742524830187755
Energy: 1.1735575743959321
Energy: 1.1523793966455231
Energy: 1.1735575743959321
Energy: 1.1742524830187755
Energy: 1.1735575743973088
Energy: 1.178905648481954
Energy: 1.1720419943312101
Energy: 1.1585760791894182
Energy: 1.1720419943298335
Energy: 1.178905648480577
Energy: 1.1720419943312101
Energy: 1.2231452097840017
Energy: 1.2906436529613652
Energy: 1.1576270070600274
Energy: 1.2906436529641183
Energy: 1.2231452097840017
Energy: 1.2906436529641183
Energy: 1.2241704750032172
Energy: 1.152844250645763
Energy: 1.2676406338207435
Energy: 1.152844250645763
Energy: 1.2241704749839455
Energy: 1.152844250622362
Energy: 1.1782305526343104
Energy: 1.1799966258650647
Energy: 1.1636804310266993
Energy: 1.179996625873324
Energy: 1.178230552632934
Energy: 1.1799966258747006
Energy: 1.1822450119655767
Energy: 1.224051181530326
Energy: 1.2438132947742297
Energy: 1.224051181530326
Energy: 1.1822450119655767
Energy: 1.2240511815289499
Energy: 1.1885455879899482
Energy: 1.1755442789282313
Energy: 1.2468060364389777
Energy: 1.1755442789337374
Energy: 1.1885455879899482
Energy: 1.175544278932361
Energy: 1.1815514504580418
Energy: 1.176388325926761
Energy: 1.244562135600263
Energy: 1.1763883259226313
Energy: 1.1815514504594182
Energy: 1.1763883259240078
Energy: 1.189355265137367
Energy: 1.17643379086051
Energy: 1.2661780889362784
Energy: 1.1764337909540836
Energy: 1.189355265137367
Energy: 1.1764337909389415
Energy: 1.360349829132864
Energy: 1.1784181182352738
Energy: 1.1637676629167681
Energy: 1.1784181182132492
Energy: 1.3603498291314875
Energy: 1.1784181182352738
Energy: 1.2245993742641612
Energy: 1.1519627779094925
Energy: 1.2453867128852756
Energy: 1.1519627779094925
Energy: 1.2245993742641612
Energy: 1.1519627779094925
Energy: 1.2230797270561886
Energy: 1.2662091383274972
Energy: 1.1910112977798908
Energy: 1.2662091383192378
Energy: 1.2230797270589415
Energy: 1.266209138337133
Energy: 1.3698149841526048
Energy: 1.1719744074961687
Energy: 1.163863023128603
Energy: 1.1719744075236995
Energy: 1.3698149841512284
Energy: 1.1719744075002982
Energy: 1.1808299587921516
Energy: 1.1723531889941265
Energy: 1.1907780166252744
Energy: 1.1723531889982564
Energy: 1.1808299587921516
Energy: 1.1723531889968797
Energy: 1.1770822088787356
Energy: 1.2645346509935385
Energy: 1.158673553320238
Energy: 1.264534650994915
Energy: 1.1770822088773591
Energy: 1.2645346509962916
Energy: 1.1801546300231835
Energy: 1.171636613233654
Energy: 1.245789055160508
Energy: 1.171636613230901
Energy: 1.1801546300231835
Energy: 1.171636613230901

minimum gb energy = 1.1515338269507822 eV
minimum distance =  2.24555471913343 Angstroms
sigma value = 27


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

Energy: 1.2912831543462537
Energy: 1.2095932292939258
Energy: 1.3877780124571581
Energy: 1.2095932292927654
Energy: 1.2912831543497345
Energy: 1.2095932292916052
Energy: 1.2630677569754554
Energy: 1.2040064242965725
Energy: 1.2093853693022911
Energy: 1.2040064242988928
Energy: 1.2630677569765891
Energy: 1.2040064242965725
Energy: 1.2144237410230367
Energy: 1.2150579469021776
Energy: 1.2088780566443904
Energy: 1.2150579469021776
Energy: 1.2144237410218763
Energy: 1.2150579469021776
Energy: 1.209325726928218
Energy: 1.3024750309509532
Energy: 1.217366907150511
Energy: 1.3024750309509532
Energy: 1.209325726928218
Energy: 1.3024750309509532
Energy: 1.2089294288042716
Energy: 1.3541990630125236
Energy: 1.2093789839843925
Energy: 1.3541990630125236
Energy: 1.2089294288042716
Energy: 1.3541990630125236
Energy: 1.214013775837481
Energy: 1.2149894145567506
Energy: 1.2202782094643072
Energy: 1.2149894145555904
Energy: 1.214013775837481
Energy: 1.2149894145567506
Energy: 1.2098574318721218
Energy: 1.322986463861548
Energy: 1.2085884908587499
Energy: 1.3229864638603879
Energy: 1.2098574318721218
Energy: 1.3229864638603879
Energy: 1.2089843554465687
Energy: 1.3310174085758766
Energy: 1.2087765663783248
Energy: 1.3310174085758766
Energy: 1.2089843554465687
Energy: 1.3310174085747162
Energy: 1.2518007198589745
Energy: 1.2381747997007988
Energy: 1.3207952969796815
Energy: 1.2381747997007988
Energy: 1.2518007198589745
Energy: 1.2381747997042798
Energy: 1.209720970472657
Energy: 1.2104867934768624
Energy: 1.2660276255459297
Energy: 1.2104867934745418
Energy: 1.2097209704714968
Energy: 1.2104867934745418
Energy: 1.20970917204684
Energy: 1.2097772171466137
Energy: 1.2657266122389184
Energy: 1.2097772171466137
Energy: 1.20970917204684
Energy: 1.2097772171454535
Energy: 1.251814266105736
Energy: 1.2382845107198943
Energy: 1.3207312916966354
Energy: 1.238284510693207
Energy: 1.251814266105736
Energy: 1.2382845106943672
Energy: 1.208970757929359
Energy: 1.3305659009197794
Energy: 1.20895654263012
Energy: 1.330565900917459
Energy: 1.208970757929359
Energy: 1.3305659009162987
Energy: 1.209868166350644
Energy: 1.322944849486379
Energy: 1.20866449576061
Energy: 1.3229448494875393
Energy: 1.2098681663494837
Energy: 1.322944849486379
Energy: 1.2140104918512196
Energy: 1.2154399377008083
Energy: 1.2202841108779396
Energy: 1.2154399377008083
Energy: 1.2140104918500594
Energy: 1.2154399377019685
Energy: 1.2090135877736923
Energy: 1.3541990630125236
Energy: 1.20932847278226
Energy: 1.3541990630125236
Energy: 1.2090135877736923
Energy: 1.3541990630113634
Energy: 1.209308330996658
Energy: 1.3024742575633252
Energy: 1.2465402561623078
Energy: 1.3024742575633252
Energy: 1.209308330996658
Energy: 1.3024742575633252
Energy: 1.2144644650567047
Energy: 1.214922080381999
Energy: 1.2090450578500802
Energy: 1.214922080381999
Energy: 1.214464465057865
Energy: 1.214922080383159
Energy: 1.263013327536913
Energy: 1.203840948997679
Energy: 1.209391756206799
Energy: 1.2038409489965187
Energy: 1.263013327536913
Energy: 1.203840948997679
Energy: 1.2912831543485743
Energy: 1.209593229295086
Energy: 1.350149064688835
Energy: 1.209593229295086
Energy: 1.291283154347414
Energy: 1.209593229295086
Energy: 1.2630677569765891
Energy: 1.2040064242965725
Energy: 1.2093853693022911
Energy: 1.2040064242988928
Energy: 1.2630677569754554
Energy: 1.204006424295412
Energy: 1.2144237410230367
Energy: 1.2150579469021776
Energy: 1.2088780566443904
Energy: 1.215057946903338
Energy: 1.2144237410230367
Energy: 1.2150579469021776
Energy: 1.2093257269270574
Energy: 1.3024750309509532
Energy: 1.2173669071516713
Energy: 1.3024750309497928
Energy: 1.2093257269270574
Energy: 1.3024750309509532
Energy: 1.208929428805432
Energy: 1.3541990630125236
Energy: 1.2093789839843925
Energy: 1.3541990630125236
Energy: 1.208929428805432
Energy: 1.3541990630125236
Energy: 1.214013775837481
Energy: 1.2149894145544298
Energy: 1.2202782094643072
Energy: 1.2149894145567506
Energy: 1.214013775837481
Energy: 1.2149894145555904

minimum gb energy = 1.2038409489965187 eV
minimum distance =  2.26423035599696 Angstroms
sigma value = 19


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

Energy: 1.3771704723921092
Energy: 1.251581596572075
Energy: 1.3026636363591513
Energy: 1.2515815965690704
Energy: 1.3771704723911076
Energy: 1.2515815965710735
Energy: 1.203126178789744
Energy: 1.236239650474708
Energy: 1.238349432838744
Energy: 1.2362396504787143
Energy: 1.2031261787887424
Energy: 1.2362396504787143
Energy: 1.2552663730906546
Energy: 1.3636914450060085
Energy: 1.2376369687217417
Energy: 1.3636914450070103
Energy: 1.2552663730896534
Energy: 1.3636914450070103
Energy: 1.2124280223424089
Energy: 1.3501819968974642
Energy: 1.2212417029255875
Energy: 1.3501819968994675
Energy: 1.2124280223424089
Energy: 1.3501819968984659
Energy: 1.2045756762094963
Energy: 1.3006939875973067
Energy: 1.2217030192902225
Energy: 1.3006939875983083
Energy: 1.2045756762084945
Energy: 1.3006939875993098
Energy: 1.2571328158290058
Energy: 1.3002252925323547
Energy: 1.2245086463828603
Energy: 1.30022529252935
Energy: 1.2571328158290058
Energy: 1.3002252925283484
Energy: 1.2102616310279573
Energy: 1.3469958526252408
Energy: 1.22020478461983
Energy: 1.3469958526252408
Energy: 1.2102616310269556
Energy: 1.3469958526242394
Energy: 1.2022724193813539
Energy: 1.2997973346441445
Energy: 1.2245281711099536
Energy: 1.2997973346461476
Energy: 1.2022724193813539
Energy: 1.2997973346461476
Energy: 1.2089190754700359
Energy: 1.348552512681056
Energy: 1.3308654501156858
Energy: 1.3485525126780509
Energy: 1.2089190754700359
Energy: 1.3485525126790527
Energy: 1.203978807499092
Energy: 1.4364707686047538
Energy: 1.2375725695799111
Energy: 1.4364707686047538
Energy: 1.203978807499092
Energy: 1.4364707686047538
Energy: 1.2007212349940535
Energy: 1.383985249134159
Energy: 1.2385503888032698
Energy: 1.3839852491351607
Energy: 1.2007212349940535
Energy: 1.3839852491351607
Energy: 1.286415610734108
Energy: 1.238099023138225
Energy: 1.2361672421041525
Energy: 1.238099023137223
Energy: 1.2864156107331064
Energy: 1.2380990231362217
Energy: 1.2868286379091567
Energy: 1.332312015558843
Energy: 1.2375465446355813
Energy: 1.3323120155598447
Energy: 1.2868286379101586
Energy: 1.3323120155598447
Energy: 1.257521607240379
Energy: 1.3676860081614526
Energy: 1.2367516372383116
Energy: 1.3676860081594495
Energy: 1.2575216072413806
Energy: 1.3676860081594495
Energy: 1.2020535334870122
Energy: 1.3491975074390603
Energy: 1.23189405195808
Energy: 1.349197507440062
Energy: 1.2020535334870122
Energy: 1.349197507440062
Energy: 1.1990362624593243
Energy: 1.2997422728064063
Energy: 1.2434381039182594
Energy: 1.2997422728054047
Energy: 1.1990362624593243
Energy: 1.2997422728054047
Energy: 1.2556049632113795
Energy: 1.2996554964952474
Energy: 1.250443711935876
Energy: 1.299655496491241
Energy: 1.2556049632113795
Energy: 1.2996554964922429
Energy: 1.1995333786635343
Energy: 1.301103542039861
Energy: 1.2233736629420686
Energy: 1.3011035420408623
Energy: 1.1995333786635343
Energy: 1.3011035420428656
Energy: 1.2558686133876071
Energy: 1.2994566975824902
Energy: 1.2506601826507542
Energy: 1.299456697583492
Energy: 1.2558686134056127
Energy: 1.299456697583492
Energy: 1.1991679650300187
Energy: 1.2996948979114773
Energy: 1.2433577114664398
Energy: 1.2996948979094738
Energy: 1.1991679650300187
Energy: 1.2996948979094738
Energy: 1.2019616185324353
Energy: 1.349509627426682
Energy: 1.2319155145654204
Energy: 1.349509627428685
Energy: 1.2019616185324353
Energy: 1.3495096274236773
Energy: 1.2575433417349817
Energy: 1.3662126506610062
Energy: 1.2368203235761694
Energy: 1.3662126506630095
Energy: 1.2575433417349817
Energy: 1.3662126506600045
Energy: 1.287116736609287
Energy: 1.3763925908708106
Energy: 1.2375428300277769
Energy: 1.3763925908708106
Energy: 1.2871167366102887
Energy: 1.3763925908717893
Energy: 1.2871225014167065
Energy: 1.2377899894379825
Energy: 1.2361567063191732
Energy: 1.2377899894389837
Energy: 1.2871225014147034
Energy: 1.2377899894389837
Energy: 1.2008643432200174
Energy: 1.3842288099500957
Energy: 1.2416493879219386
Energy: 1.3842288099490938
Energy: 1.2008643432200174
Energy: 1.3842288099500957
Energy: 1.2039646564539657
Energy: 1.4371007366227224
Energy: 1.237644296545378
Energy: 1.437100736623724
Energy: 1.2039646564539657
Energy: 1.4371007366227224
Energy: 1.2089865396171313
Energy: 1.34871543539764
Energy: 1.3308654501146844
Energy: 1.3487154353966384
Energy: 1.2089865396171313
Energy: 1.3487154353966384
Energy: 1.2024606600476577
Energy: 1.299718674810854
Energy: 1.2245069912692172
Energy: 1.2997186748098524
Energy: 1.2024606600476577
Energy: 1.2997186748098524
Energy: 1.210261177243444
Energy: 1.3469958526242394
Energy: 1.2202001259936661
Energy: 1.3469958526242394
Energy: 1.2102611772444458
Energy: 1.3469958526242394

minimum gb energy = 1.1990362624593243 eV
minimum distance =  2.21139060973895 Angstroms
sigma value = 101


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

Energy: 1.4208565451659618
Energy: 1.449353611201028
Energy: 1.2815733702098362
Energy: 1.4493536112001473
Energy: 1.4208565451659618
Energy: 1.4493536112001473
Energy: 1.232863858786486
Energy: 1.3455597601921696
Energy: 1.2211978701947326
Energy: 1.34555976019305
Energy: 1.2328638587873662
Energy: 1.345559760191289
Energy: 1.2349405244508616
Energy: 1.1990630690907391
Energy: 1.2216190117243264
Energy: 1.1990630690924997
Energy: 1.2349405244596658
Energy: 1.1990630690933803
Energy: 1.2629509146788227
Energy: 1.3751620989394415
Energy: 1.209042522719654
Energy: 1.3751620989385611
Energy: 1.2629509146788227
Energy: 1.3751620989385611
Energy: 1.1927411183115135
Energy: 1.2099511572924895
Energy: 1.2110570218216208
Energy: 1.2099511572933699
Energy: 1.192741118308872
Energy: 1.2099511572916093
Energy: 1.2516627525340602
Energy: 1.329163183985189
Energy: 1.1928742426004855
Energy: 1.3291631839860696
Energy: 1.2516627525340602
Energy: 1.3291631839869498
Energy: 1.2095714459557827
Energy: 1.3399613019954393
Energy: 1.1947807820873713
Energy: 1.339961301994559
Energy: 1.209571445956663
Energy: 1.339961301994559
Energy: 1.2089560059941367
Energy: 1.3390401527806401
Energy: 1.2092220575894495
Energy: 1.3390401527815208
Energy: 1.208956005991495
Energy: 1.3390401527815208
Energy: 1.194132968476235
Energy: 1.3304414689845456
Energy: 1.2576080118874935
Energy: 1.3304414689863064
Energy: 1.194132968476235
Energy: 1.3304414689854258
Energy: 1.1930117286589415
Energy: 1.3075984554510718
Energy: 1.1926354158117198
Energy: 1.3075984554510718
Energy: 1.1930117286563
Energy: 1.3075984554510718
Energy: 1.3087142047473208
Energy: 1.313258807756971
Energy: 1.266854487444779
Energy: 1.313258807756971
Energy: 1.3087142047473208
Energy: 1.313258807756971
Energy: 1.2205490352768238
Energy: 1.1926525012686768
Energy: 1.192377615281073
Energy: 1.1926525012686768
Energy: 1.2205490352768238
Energy: 1.1926525012686768
Energy: 1.220836878401945
Energy: 1.3226843546888958
Energy: 1.1928479464502393
Energy: 1.3226843546906566
Energy: 1.2208368784133508
Energy: 1.3226843546906566
Energy: 1.208907649899811
Energy: 1.2092587632926872
Energy: 1.2647196625355444
Energy: 1.2092587632926872
Energy: 1.2089076498989304
Energy: 1.209258763288285
Energy: 1.2337370319048764
Energy: 1.3833838638297873
Energy: 1.2545984596448625
Energy: 1.3833838638297873
Energy: 1.2337370319048764
Energy: 1.3833838638289067
Energy: 1.2842167270418197
Energy: 1.3149723654711234
Energy: 1.232877455824719
Energy: 1.314972365468482
Energy: 1.2842167270418197
Energy: 1.314972365468482
Energy: 1.203395148967962
Energy: 1.3492632277456866
Energy: 1.1938387272657758
Energy: 1.3492632277456866
Energy: 1.2033951489688424
Energy: 1.3492632277456866
Energy: 1.2096281944142366
Energy: 1.2163793905883664
Energy: 1.1924529128147598
Energy: 1.2163793905875262
Energy: 1.2096281944142366
Energy: 1.2163793905875262
Energy: 1.210475617693599
Energy: 1.3060018919232719
Energy: 1.2520312200745816
Energy: 1.3060018919241523
Energy: 1.210475617693599
Energy: 1.3060018919241523
Energy: 1.2015678813427084
Energy: 1.341370595136177
Energy: 1.1922171452230839
Energy: 1.3413705951414598
Energy: 1.2015678813427084
Energy: 1.3413705951344161
Energy: 1.216887735822203
Energy: 1.2173315707580703
Energy: 1.210046953526595
Energy: 1.2173315707563093
Energy: 1.216887735822203
Energy: 1.2173315707563093
Energy: 1.1935847827820987
Energy: 1.3059474557458577
Energy: 1.1923289967136308
Energy: 1.3059474557458577
Energy: 1.1935847827820987
Energy: 1.3059474557440969
Energy: 1.214972565592893
Energy: 1.3071599103830325
Energy: 1.194692574160731
Energy: 1.3071599103821523
Energy: 1.2149725655955346
Energy: 1.3071599103830325
Energy: 1.2627385981812265
Energy: 1.2167693192996627
Energy: 1.3092432786985142
Energy: 1.2167693193005429
Energy: 1.262738598182107
Energy: 1.216769319298782
Energy: 1.1928851022817069
Energy: 1.3140204259868624
Energy: 1.226049586452443
Energy: 1.3140204259851016
Energy: 1.1928851022808262
Energy: 1.3140204259851016
Energy: 1.192981657984864
Energy: 1.3221872537273616
Energy: 1.284127321928389
Energy: 1.3221872537300028
Energy: 1.1929816579839834
Energy: 1.3221872537256008
Energy: 1.2655201043451239
Energy: 1.1934788516962789
Energy: 1.2334876798212862
Energy: 1.1934788516953985
Energy: 1.2655201043477655
Energy: 1.1934788516962789
Energy: 1.2636679560441202
Energy: 1.1931156141267216
Energy: 1.2236152893001373
Energy: 1.193115614125841
Energy: 1.2636679560458808
Energy: 1.1931156141284822
Energy: 1.3317488380523421
Energy: 1.3912800406963062
Energy: 1.2900078263712973
Energy: 1.3912800406963062
Energy: 1.3317488380523421
Energy: 1.3912800406963062
Energy: 1.1924431894897205
Energy: 1.3358070154881176
Energy: 1.201060978208327
Energy: 1.3358070154898787
Energy: 1.1924431894879597
Energy: 1.3358070154898787
Energy: 1.1928388120182718
Energy: 1.2186526201885741
Energy: 1.216974436870016
Energy: 1.2186526201885741
Energy: 1.1928388120200326
Energy: 1.2186526201885741
Energy: 1.193090104923231
Energy: 1.3062753628834423
Energy: 1.19253983744291
Energy: 1.3062753628825616
Energy: 1.1930901049241112
Energy: 1.3062753628816812
Energy: 1.193404084670712
Energy: 1.3238084177118503
Energy: 1.2094424815508653
Energy: 1.3238084177100895
Energy: 1.193404084670712
Energy: 1.323808417709209

minimum gb energy = 1.1922171452230839 eV
minimum distance =  2.21355193704696 Angstroms
sigma value = 33


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

Energy: 0.014863224646924049
Energy: 0.015410675143794995
Energy: 1.4219049152731307
Energy: 0.015410968286907299
Energy: 0.014863224646924049
Energy: 0.01542613683885172
Energy: 0.015404497505957699
Energy: 0.9459054943965538
Energy: 0.015404497505957699
Energy: 0.9459054943965538
Energy: 0.015404497507380113
Energy: 0.9459054943972447
Energy: 1.421904915275285
Energy: 0.01540897006054013
Energy: 0.014863224646924049
Energy: 0.015425915968271023
Energy: 1.421904915275285
Energy: 0.015422265335639186
Energy: 0.015404497505957699
Energy: 0.9459054943965538
Energy: 0.015404497506648586
Energy: 0.9459054943965538
Energy: 0.015404497505957699
Energy: 0.9459054943972447

minimum gb energy = 0.014863224646924049 eV
minimum distance =  2.34920720661693 Angstroms
sigma value = 1