Model name: model_name=EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
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=2.8553125262260437
cohesive_energy=4.013297914353109
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: 0.012434275143418414
Energy: 0.012643444334341086
Energy: 0.41250523609332684
Energy: 0.012643444334815845
Energy: 0.012434275143418414
Energy: 0.012643444332358271
Energy: 0.01264344433579329
Energy: 2.161137098667804
Energy: 0.012643444332860956
Energy: 2.6532881155200414
Energy: 0.012643444333335713
Energy: 2.1611370986667984
Energy: 0.4125052360943043
Energy: 0.012643444332358271
Energy: 0.012434275142915728
Energy: 0.012643444331380824
Energy: 0.41250523609382955
Energy: 0.01264344433040338
Energy: 0.012643444336798664
Energy: 2.653288115520544
Energy: 0.012643444332358271
Energy: 2.653610367497846
Energy: 0.012643444334341086
Energy: 2.161137098670736
Energy: 0.012434275143418414
Energy: 0.01264344433087814
Energy: 0.41250523609382955
Energy: 0.012643444332358271
Energy: 0.012434275143418414
Energy: 0.012643444332358271
Energy: 0.012643444334815845
Energy: 2.161137098666324
Energy: 0.012643444332860956
Energy: 2.1611370986697587
Energy: 0.012643444332860956
Energy: 2.1611370986717136

minimum gb energy = 0.012434275142915728 eV
minimum distance =  2.45379372399613 Angstroms
sigma value = 1


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

Energy: 1.4281351139219862
Energy: 1.368845119192346
Energy: 1.233545428154922
Energy: 1.368845119189926
Energy: 1.4281351139207763
Energy: 1.368845119189926
Energy: 1.338226761256246
Energy: 1.3311021601101118
Energy: 1.3083899290673058
Energy: 1.331102160111322
Energy: 1.3382267612610863
Energy: 1.331102160111322
Energy: 1.167531796459307
Energy: 1.3286885158343202
Energy: 1.4223086862410594
Energy: 1.3286885158331103
Energy: 1.167531796459307
Energy: 1.3286885158331103
Energy: 1.2815059507372093
Energy: 1.3136928687299583
Energy: 1.1325637235053923
Energy: 1.3136928687347984
Energy: 1.2815059507384194
Energy: 1.313692868736008
Energy: 1.2867730622510698
Energy: 1.3375837240830406
Energy: 1.2124066920956214
Energy: 1.3375837240842503
Energy: 1.2867730622801106
Energy: 1.3375837240854604
Energy: 1.2752301936717105
Energy: 1.3271676022334626
Energy: 1.1730391683322494
Energy: 1.3271676022286225
Energy: 1.2752301936729207
Energy: 1.3271676022286225
Energy: 1.2750292204930425
Energy: 1.3290633472334086
Energy: 1.182204415476781
Energy: 1.3290633472321984
Energy: 1.2750292204543214
Energy: 1.3290633472309885
Energy: 1.2926544829726385
Energy: 1.3396316353009137
Energy: 1.1330591853185128
Energy: 1.3396316353009137
Energy: 1.2926544829726385
Energy: 1.3396316352997035
Energy: 1.3044440761861502
Energy: 1.2857304999729873
Energy: 1.131991038285224
Energy: 1.2857304999717771
Energy: 1.3044440761885703
Energy: 1.2857304999729873
Energy: 1.4176976785400959
Energy: 1.3282336510990262
Energy: 1.1803082365108777
Energy: 1.3282336511014463
Energy: 1.4176976785400959
Energy: 1.3282336511014463
Energy: 1.2171826818012892
Energy: 1.299616529320244
Energy: 1.2413250002087737
Energy: 1.2996165293105637
Energy: 1.2171826816609812
Energy: 1.2996165293093538
Energy: 1.173320721689638
Energy: 1.3372330504457157
Energy: 1.1727744266776399
Energy: 1.3372330504457157
Energy: 1.1733207216920578
Energy: 1.3372330504457157
Energy: 1.318195406418635
Energy: 1.310298868732482
Energy: 1.2095235679762866
Energy: 1.310298868728852
Energy: 1.318195406416215
Energy: 1.3102988687264319
Energy: 1.1864349397611895
Energy: 1.3279715937175975
Energy: 1.4182041136277777
Energy: 1.3279715937163878
Energy: 1.1864349397599796
Energy: 1.3279715937163878
Energy: 1.252607252437555
Energy: 1.2535845609019636
Energy: 1.3175983383664294
Energy: 1.2535845608571925
Energy: 1.252607252437555
Energy: 1.253584560866873
Energy: 1.2510804012903098
Energy: 1.3592818338842854
Energy: 1.2951794230197176
Energy: 1.3592818338806554
Energy: 1.2510804012649541
Energy: 1.3592818338806554
Energy: 1.1798170012606055
Energy: 1.3296097491558174
Energy: 1.2743112320711667
Energy: 1.3296097491570276
Energy: 1.1798170012606055
Energy: 1.3296097491570276
Energy: 1.1684685837857807
Energy: 1.327759579570423
Energy: 1.2767135335673039
Energy: 1.3277595795727877
Energy: 1.1684685837894109
Energy: 1.3277595795727877
Energy: 1.2820847195907108
Energy: 1.3382379383362397
Energy: 1.2842720521766062
Energy: 1.3382379383362397
Energy: 1.2820847195870808
Energy: 1.3382379383350296
Energy: 1.1318605394953598
Energy: 1.3142478042805255
Energy: 1.2834621279839895
Energy: 1.3142478042853656
Energy: 1.1318605394953598
Energy: 1.3142478042853656
Energy: 1.4226329607611734
Energy: 1.3282330354290468
Energy: 1.1674373349858447
Energy: 1.3282330354278364
Energy: 1.4226329607611734
Energy: 1.3282330354278364
Energy: 1.2784394906014185
Energy: 1.3582722947528993
Energy: 1.2720450853594434
Energy: 1.3582722947589494
Energy: 1.2784394906014185
Energy: 1.3582722947565296
Energy: 1.2247848593643547
Energy: 1.3508936144714934
Energy: 1.287724771227484
Energy: 1.3508936144678634
Energy: 1.2247848593631447
Energy: 1.3508936144690733

minimum gb energy = 1.1318605394953598 eV
minimum distance =  2.2311496511853 Angstroms
sigma value = 33


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

Energy: 1.6928051383027405
Energy: 1.4081573152028377
Energy: 1.2396814808603303
Energy: 1.4081573152028377
Energy: 1.6928051383027405
Energy: 1.4081573152028377
Energy: 1.2509016285611594
Energy: 1.3736380732903197
Energy: 1.296692737540515
Energy: 1.3736380732896318
Energy: 1.2509016285356938
Energy: 1.3736380732889435
Energy: 1.1761093694082683
Energy: 1.4042586700526527
Energy: 1.381374851371964
Energy: 1.4042586700526527
Energy: 1.17610936940758
Energy: 1.4042586700526527
Energy: 1.279476230280874
Energy: 1.349699827568675
Energy: 1.4344858596159684
Energy: 1.3496998275672984
Energy: 1.2794762302815623
Energy: 1.349699827568675
Energy: 1.2778626316083543
Energy: 1.3834989302715146
Energy: 1.317135027593846
Energy: 1.3834989302708265
Energy: 1.2778626316097306
Energy: 1.383498930272891
Energy: 1.2951135737753874
Energy: 1.3837875788672693
Energy: 1.1820214534855504
Energy: 1.3837875788672693
Energy: 1.2951135737760757
Energy: 1.383787578867958
Energy: 1.2952729360010093
Energy: 1.3830813977885592
Energy: 1.347596584421889
Energy: 1.3830813977892473
Energy: 1.2952729360030744
Energy: 1.3830813977899354
Energy: 1.2070319164171672
Energy: 1.3849221696852452
Energy: 1.3194338392799976
Energy: 1.3849221696845573
Energy: 1.2070319164151027
Energy: 1.3849221696845573
Energy: 1.3194742518583802
Energy: 1.3547246775374007
Energy: 1.2957664096128758
Energy: 1.3547246775367123
Energy: 1.3194742518576918
Energy: 1.3547246775339594
Energy: 1.2494658607902185
Energy: 1.4038299230153848
Energy: 1.2568301390040892
Energy: 1.4038299230146967
Energy: 1.2494658607909068
Energy: 1.4038299230153848
Energy: 1.250050158720545
Energy: 1.3741840429505952
Energy: 1.2977540839272073
Energy: 1.3741840429505952
Energy: 1.2500501587198567
Energy: 1.3741840429505952
Energy: 1.3792245670943208
Energy: 1.3856464053415805
Energy: 1.2494783245707004
Energy: 1.385646405342957
Energy: 1.3792245670929442
Energy: 1.385646405342957
Energy: 1.442127743867004
Energy: 1.3594670070065211
Energy: 1.24981178098273
Energy: 1.3594670070030799
Energy: 1.4421277438683804
Energy: 1.3594670070037682
Energy: 1.3177707745920788
Energy: 1.403971437103017
Energy: 1.3078505963620368
Energy: 1.4039714371023286
Energy: 1.3177707745900145
Energy: 1.4039714371016405
Energy: 1.3819778229945
Energy: 1.3893573064308735
Energy: 1.3888528135035119
Energy: 1.3893573064315619
Energy: 1.3819778229931237
Energy: 1.3893573064315619
Energy: 1.3805453859003785
Energy: 1.4054488660067694
Energy: 1.2190041360327495
Energy: 1.4054488660067694
Energy: 1.3805453859003785
Energy: 1.405448866006081
Energy: 1.394535969916982
Energy: 1.3833787954428098
Energy: 1.254772475875601
Energy: 1.3833787954428098
Energy: 1.3945359699156057
Energy: 1.3833787954421217
Energy: 1.3928335641453045
Energy: 1.3731421681035667
Energy: 1.464122055356646
Energy: 1.3731421681056315
Energy: 1.3928335641453045
Energy: 1.3731421681049432
Energy: 1.1822100561850446
Energy: 1.3853640040121438
Energy: 1.294761717174409
Energy: 1.3853640040107673
Energy: 1.1822100561857327
Energy: 1.3853640040107673
Energy: 1.3292240338799153
Energy: 1.3512280390683489
Energy: 1.3881691547339623
Energy: 1.3512280390676608
Energy: 1.3292240338881744
Energy: 1.3512280390669724
Energy: 1.37949766832279
Energy: 1.404633762994869
Energy: 1.226543405057979
Energy: 1.4046337629955572
Energy: 1.3794976683221014
Energy: 1.404633762994869
Energy: 1.2503267207963797
Energy: 1.3785640596003168
Energy: 1.4469934371905135
Energy: 1.3785640595996285
Energy: 1.2503267207970679
Energy: 1.3785640596003168
Energy: 1.254108165240002
Energy: 1.3854397113979424
Energy: 1.3182223504319848
Energy: 1.3854397113993187
Energy: 1.254108165240002
Energy: 1.3854397113993187
Energy: 1.4744271045879862
Energy: 1.3770303039010623
Energy: 1.295767545461013
Energy: 1.3770303038996856
Energy: 1.4744271045879862
Energy: 1.377030303900374
Energy: 1.2931162048986562
Energy: 1.3832102174890237
Energy: 1.3802455376355662
Energy: 1.3832102174904004
Energy: 1.2931162048993445
Energy: 1.3832102174904004
Energy: 1.3074936786857874
Energy: 1.4053977682543197
Energy: 1.2321484005627226
Energy: 1.4053977682543197
Energy: 1.3074936786871638
Energy: 1.4053977682536312
Energy: 1.3066498218534655
Energy: 1.4049726312634434
Energy: 1.2581278526917408
Energy: 1.4049726312627553
Energy: 1.3066498218520888
Energy: 1.4049726312627553
Energy: 1.2963303021023957
Energy: 1.3831947161748874
Energy: 1.3797990751369307
Energy: 1.3831947161762639
Energy: 1.296330302101019
Energy: 1.3831947161762639
Energy: 1.4745585166793278
Energy: 1.3754247248997504
Energy: 1.297731857008063
Energy: 1.375424724897686
Energy: 1.4745585166793278
Energy: 1.375424724897686
Energy: 1.2535824578339172
Energy: 1.3855048459150863
Energy: 1.3935081543131496
Energy: 1.385504845916463
Energy: 1.2535824578318524
Energy: 1.3855048459157744
Energy: 1.2503467310070315
Energy: 1.3785640595996285
Energy: 1.4471359322052293
Energy: 1.3785640596010051
Energy: 1.2503467310077199
Energy: 1.3785640595961872
Energy: 1.379474051145736
Energy: 1.40458761444635
Energy: 1.2263431786103105
Energy: 1.40458761444635
Energy: 1.3794740511484889
Energy: 1.4045876144456617
Energy: 1.3296111948106204
Energy: 1.349742974350817
Energy: 1.3888800529133933
Energy: 1.349742974350817
Energy: 1.329611194809244
Energy: 1.3497429743480638
Energy: 1.182210979958334
Energy: 1.3852953477666992
Energy: 1.3417962449724938
Energy: 1.3852953477660108
Energy: 1.1822109799569576
Energy: 1.3852953477660108
Energy: 1.394439920171206
Energy: 1.3748596587575073
Energy: 1.3566111351100614
Energy: 1.3748596587588837
Energy: 1.3944399201705178
Energy: 1.3748596587588837
Energy: 1.398643570429404
Energy: 1.3832579666164915
Energy: 1.2541871362546981
Energy: 1.3832579666164915
Energy: 1.3986435704287157
Energy: 1.3832579666164915
Energy: 1.384235660846224
Energy: 1.4052129074985114
Energy: 1.2794417643991136
Energy: 1.4052129074998878
Energy: 1.3842356608476005
Energy: 1.4052129074991995
Energy: 1.3814650988911485
Energy: 1.38947321684205
Energy: 1.3543056983000596
Energy: 1.3894732168434265
Energy: 1.3814650988911485
Energy: 1.3894732168434265
Energy: 1.3176189915081922
Energy: 1.4039857649876764
Energy: 1.3074010803436837
Energy: 1.4039857649883647
Energy: 1.3176189915088805
Energy: 1.4039857649883647
Energy: 1.4422936066117225
Energy: 1.3547804239884687
Energy: 1.253331157000811
Energy: 1.3547804239843393
Energy: 1.4422936066130991
Energy: 1.354780423986404
Energy: 1.3792176087698604
Energy: 1.3856381068174632
Energy: 1.2708903499530253
Energy: 1.3856381068174632
Energy: 1.379217608771237
Energy: 1.3856381068181514

minimum gb energy = 1.17610936940758 eV
minimum distance =  2.21998952014973 Angstroms
sigma value = 51


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

Energy: 1.458634097746987
Energy: 1.4257165294801142
Energy: 1.3698644789050147
Energy: 1.4257165294801142
Energy: 1.458634097746987
Energy: 1.4257165294785195
Energy: 1.3028902309170278
Energy: 1.4624995500043798
Energy: 1.5290045928026013
Energy: 1.462500042443036
Energy: 1.3028902309154329
Energy: 1.4624980300351744
Energy: 1.1841233797566824
Energy: 1.4252893467332197
Energy: 1.5354604884024499
Energy: 1.4252893467348142
Energy: 1.1841233797566824
Energy: 1.4252893467348142
Energy: 1.195474825417783
Energy: 1.3659006024080236
Energy: 1.5207403737222882
Energy: 1.365900602404834
Energy: 1.1954748254161884
Energy: 1.3659006024064289
Energy: 1.194667066242642
Energy: 1.3644517324812084
Energy: 1.4401610860575345
Energy: 1.3644517324843979
Energy: 1.1946670662442367
Energy: 1.3644517324828032
Energy: 1.4616150286267833
Energy: 1.3641709441061292
Energy: 1.5665188913783636
Energy: 1.3641709441061292
Energy: 1.4616150286267833
Energy: 1.3641709440949665
Energy: 1.4603191960053026
Energy: 1.3680171840205513
Energy: 1.326654049972805
Energy: 1.36801718402693
Energy: 1.4603191960053026
Energy: 1.368017184022146
Energy: 1.1960018399613752
Energy: 1.3655856910517896
Energy: 1.1763893505393141
Energy: 1.3655856910517896
Energy: 1.1960018399597807
Energy: 1.3655856910517896
Energy: 1.4606034685507556
Energy: 1.3835535244523807
Energy: 1.2072307603457426
Energy: 1.383553524450786
Energy: 1.460603468394549
Energy: 1.3835535244523807
Energy: 1.1865282967069175
Energy: 1.4522959492509506
Energy: 1.1764473088619642
Energy: 1.4522959492477612
Energy: 1.1865282967053228
Energy: 1.4522959492477612
Energy: 1.5301310090964657
Energy: 1.365434467890573
Energy: 1.5204326724622612
Energy: 1.3654344678921675
Energy: 1.5301310090964657
Energy: 1.365434467890573
Energy: 1.4602590942881144
Energy: 1.4256492340767222
Energy: 1.5683758706597477
Energy: 1.4256492340799118
Energy: 1.4602590942897091
Energy: 1.4256492340799118
Energy: 1.337351058029309
Energy: 1.3847895643249037
Energy: 1.542146259252326
Energy: 1.384789564323309
Energy: 1.337351058029309
Energy: 1.384789564323309
Energy: 1.1865301691300887
Energy: 1.4255751152537315
Energy: 1.534169590842357
Energy: 1.4255751152521368
Energy: 1.1865301691300887
Energy: 1.4255751152521368
Energy: 1.1842081559138067
Energy: 1.425707977114504
Energy: 1.5286121475359784
Energy: 1.425707977114504
Energy: 1.1842081559138067
Energy: 1.425707977114504
Energy: 1.1946773935038952
Energy: 1.3717816817213289
Energy: 1.5305218892623966
Energy: 1.3717816817229238
Energy: 1.1946773935023007
Energy: 1.3717816817245183
Energy: 1.459495964920168
Energy: 1.426094423291875
Energy: 1.5641520682019512
Energy: 1.4260944232902804
Energy: 1.4594959649217627
Energy: 1.4260944232902804
Energy: 1.4599150449274758
Energy: 1.367713610002069
Energy: 1.5345846324803465
Energy: 1.3677136099988794
Energy: 1.4599150449035918
Energy: 1.3677136099972849

minimum gb energy = 1.1763893505393141 eV
minimum distance =  2.20558359677689 Angstroms
sigma value = 19


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

Energy: 1.566968675153512
Energy: 1.5466103129127766
Energy: 1.4240677615656026
Energy: 1.5466103129108846
Energy: 1.56696867515162
Energy: 1.5466103129118305
Energy: 1.294902715591847
Energy: 1.4693256892418198
Energy: 1.440189409224277
Energy: 1.469325689238982
Energy: 1.294902715591847
Energy: 1.469325689239928
Energy: 1.2289934695737585
Energy: 1.4810298172920455
Energy: 1.3965898208232221
Energy: 1.4810298172929917
Energy: 1.2289934695728129
Energy: 1.4810298172929917
Energy: 1.2858061491322694
Energy: 1.4690238795463573
Energy: 1.3953035448445752
Energy: 1.4690238795454114
Energy: 1.2858061491322694
Energy: 1.4690238795454114
Energy: 1.3097990333429375
Energy: 1.5478241564703494
Energy: 1.5382547614441948
Energy: 1.5478241564684578
Energy: 1.3097990333419913
Energy: 1.5478241564675117
Energy: 1.5383137828615723
Energy: 1.5496590078004955
Energy: 1.30973505019758
Energy: 1.5496590078004955
Energy: 1.5383137828606264
Energy: 1.5496590078004955
Energy: 1.3977149923460728
Energy: 1.469748253595496
Energy: 1.324338434288635
Energy: 1.469748253595496
Energy: 1.3977149922193837
Energy: 1.469748253595496
Energy: 1.399566078438495
Energy: 1.4809247071309608
Energy: 1.2290872510370154
Energy: 1.480924707131907
Energy: 1.3995660784328194
Energy: 1.480924707131907
Energy: 1.4392705949359585
Energy: 1.5055226449936732
Energy: 1.294491405325535
Energy: 1.5055226449936732
Energy: 1.4392705949340667
Energy: 1.5055226449946193
Energy: 1.4240677615674946
Energy: 1.5466103129118305
Energy: 1.5669686751525662
Energy: 1.5466103129108846
Energy: 1.4240677615674946
Energy: 1.5466103129118305
Energy: 1.440189409224277
Energy: 1.4693256892418198
Energy: 1.294902715591847
Energy: 1.4693256892456035
Energy: 1.4401894092204934
Energy: 1.4693256892446576
Energy: 1.3965898208203846
Energy: 1.4810298172920455
Energy: 1.2289934695756506
Energy: 1.4810298172910996
Energy: 1.3965898208184926
Energy: 1.4810298172920455
Energy: 1.395303544846467
Energy: 1.4690238795454114
Energy: 1.41104615662335
Energy: 1.4690238795454114
Energy: 1.395303544846467
Energy: 1.4690238795444657
Energy: 1.4795357754117966
Energy: 1.5478241564694035
Energy: 1.3097990333391538
Energy: 1.5478241564694035
Energy: 1.4795357753938456
Energy: 1.5478241564712953
Energy: 1.30973505019758
Energy: 1.5496590077986039
Energy: 1.5383137828606264
Energy: 1.5496590078004955
Energy: 1.309735050196634
Energy: 1.5496590078004955
Energy: 1.2870973353450283
Energy: 1.4697482535973876
Energy: 1.3977149920038
Energy: 1.4697482535973876
Energy: 1.2870973353459743
Energy: 1.4697482535983337
Energy: 1.2290872510370154
Energy: 1.480924707131907
Energy: 1.3995660784243062
Energy: 1.4809247071309608
Energy: 1.2290872510389073
Energy: 1.4809247071309608
Energy: 1.2944914053236432
Energy: 1.5055226450002734
Energy: 1.4392705949350126
Energy: 1.5055226449983814
Energy: 1.294491405324589
Energy: 1.5055226449974357
Energy: 1.566968675153512
Energy: 1.5466103129118305
Energy: 1.451616215512914
Energy: 1.5466103129127766
Energy: 1.56696867515162
Energy: 1.5466103129118305
Energy: 1.294902715591847
Energy: 1.4693256892361442
Energy: 1.4401894092261691
Energy: 1.4693256892380362
Energy: 1.294902715592793
Energy: 1.4693256892351985
Energy: 1.2289934695728129
Energy: 1.4810298172929917
Energy: 1.396589820814709
Energy: 1.4810298172920455
Energy: 1.2289934695737585
Energy: 1.4810298172920455
Energy: 1.4110461566252417
Energy: 1.4690238795454114
Energy: 1.3953035448483588
Energy: 1.4690238795454114
Energy: 1.41104615662335
Energy: 1.4690238795454114
Energy: 1.3097990333410459
Energy: 1.5478241564703494
Energy: 1.4795357753919538
Energy: 1.5478241564703494
Energy: 1.3097990333419913
Energy: 1.5478241564694035
Energy: 1.5895682055567344
Energy: 1.5496590078052253
Energy: 1.30973505019758
Energy: 1.5496590078023873
Energy: 1.5895682055557883
Energy: 1.5496590078014414
Energy: 1.3977149919149263
Energy: 1.469748253595496
Energy: 1.2486563046862633
Energy: 1.469748253595496
Energy: 1.3977149918600842
Energy: 1.469748253595496
Energy: 1.3995660784233601
Energy: 1.480924707131907
Energy: 1.2290872510370154
Energy: 1.4809247071309608
Energy: 1.3995660784252522
Energy: 1.4809247071309608
Energy: 1.4392705949359585
Energy: 1.5055226450031112
Energy: 1.294491405325535
Energy: 1.5055226450002734
Energy: 1.4392705949369047
Energy: 1.5055226449983814
Energy: 1.477747744703411
Energy: 1.5466103129118305
Energy: 1.5669686751525662
Energy: 1.5466103129127766
Energy: 1.4777477447024652
Energy: 1.5466103129118305
Energy: 1.4401894092233314
Energy: 1.4693256892427655
Energy: 1.294902715591847
Energy: 1.4693256892427655
Energy: 1.4401894092233314
Energy: 1.4693256892361442
Energy: 1.3965898208099792
Energy: 1.4810298172920455
Energy: 1.2289934695756506
Energy: 1.4810298172929917
Energy: 1.3965898208109253
Energy: 1.4810298172929917

minimum gb energy = 1.2289934695728129 eV
minimum distance =  2.19814818693215 Angstroms
sigma value = 27


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

Energy: 1.1959093671963743
Energy: 1.3744771049256808
Energy: 1.502686585107647
Energy: 1.374477104925207
Energy: 1.1959093671959005
Energy: 1.374477104925444
Energy: 1.1834215811901267
Energy: 1.37466232139549
Energy: 1.2248671641136866
Energy: 1.3746623214042841
Energy: 1.18342158118989
Energy: 1.3746623214033624
Energy: 1.21214353976111
Energy: 1.5130655878432333
Energy: 1.2251029059410974
Energy: 1.5130655878409427
Energy: 1.212143539761347
Energy: 1.5130655878407058
Energy: 1.1930135316524295
Energy: 1.3745992576755703
Energy: 1.2102815109759804
Energy: 1.3745992576742014
Energy: 1.1930135316533508
Energy: 1.374599257675123
Energy: 1.2264862997156942
Energy: 1.382422342070186
Energy: 1.3864375427179048
Energy: 1.3824223420711075
Energy: 1.2264862997156942
Energy: 1.3824223420711075
Energy: 1.2099615279962772
Energy: 1.5265570181231187
Energy: 1.224751940618787
Energy: 1.5265570181233556
Energy: 1.2099615279960403
Energy: 1.5265570181238033
Energy: 1.2246754695798452
Energy: 1.343201293872957
Energy: 1.2099729710070115
Energy: 1.3432012938819882
Energy: 1.2246754695791342
Energy: 1.3432012939016829
Energy: 1.1935028727120292
Energy: 1.3822853668331236
Energy: 1.2282478631403497
Energy: 1.3822853668338082
Energy: 1.193502872712503
Energy: 1.3822853668333608
Energy: 1.2099650291815338
Energy: 1.3824386543727958
Energy: 1.1872419850978766
Energy: 1.3824386543714002
Energy: 1.209965029181771
Energy: 1.3824386543727958
Energy: 1.2129729058597127
Energy: 1.4679733275028861
Energy: 1.2129784062574402
Energy: 1.4679733275026494
Energy: 1.2129729058604237
Energy: 1.467973327503123
Energy: 1.2248280847637056
Energy: 1.3827086422402797
Energy: 1.2100323802486537
Energy: 1.3827086422372783
Energy: 1.2248280847641795
Energy: 1.3827086422402797
Energy: 1.2280686666681615
Energy: 1.3822415551872853
Energy: 1.1936973059066769
Energy: 1.3822415551865745
Energy: 1.2280686666683984
Energy: 1.3822415551865745

minimum gb energy = 1.18342158118989 eV
minimum distance =  2.22850651546538 Angstroms
sigma value = 9


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

Energy: 1.6105490523817525
Energy: 1.5736687268159206
Energy: 1.3777464637710348
Energy: 1.573668726817874
Energy: 1.6105490523804504
Energy: 1.573668726817874
Energy: 1.4356270299177314
Energy: 1.5056034144552035
Energy: 1.3383041640576048
Energy: 1.51975365745496
Energy: 1.4356270299183824
Energy: 1.5056034144552035
Energy: 1.3000542757122169
Energy: 1.5261399161210092
Energy: 1.318103382888312
Energy: 1.526139916119707
Energy: 1.300054275713519
Energy: 1.5261399161203582
Energy: 1.2571203649997045
Energy: 1.4940764817485794
Energy: 1.2343187622446856
Energy: 1.4940764817498815
Energy: 1.2571203650010065
Energy: 1.4940764817498815
Energy: 1.2564587846532795
Energy: 1.490820059320586
Energy: 1.254500315298411
Energy: 1.490820059321237
Energy: 1.2564587846545818
Energy: 1.490820059321237
Energy: 1.238880343555531
Energy: 1.4608713932728128
Energy: 1.3312250108792956
Energy: 1.4608713932708597
Energy: 1.2388803435548799
Energy: 1.4608713932708597
Energy: 1.4943183672124278
Energy: 1.5201035998048251
Energy: 1.3254949239810905
Energy: 1.520103599804174
Energy: 1.4943183672130789
Energy: 1.5201035998048251
Energy: 1.433807692595944
Energy: 1.490405389730444
Energy: 1.3507845859767937
Energy: 1.4904053897284908
Energy: 1.433807692596595
Energy: 1.4904053897291418
Energy: 1.4348675360748626
Energy: 1.5186954193293298
Energy: 1.346739931320254
Energy: 1.5186954193286788
Energy: 1.4348675360787688
Energy: 1.5186954193286788
Energy: 1.4372709794786414
Energy: 1.528066422282778
Energy: 1.2663414544949778
Energy: 1.5280664222853821
Energy: 1.4372709794786414
Energy: 1.528066422284731
Energy: 1.4232853247558421
Energy: 1.5096645631456331
Energy: 1.3317023687861458
Energy: 1.50966456314368
Energy: 1.4232853247506339
Energy: 1.50966456314368
Energy: 1.3072910380381617
Energy: 1.4899394152296743
Energy: 1.306658169363885
Energy: 1.4899394152316272
Energy: 1.3072910380394638
Energy: 1.4899394152309762
Energy: 1.24271370168868
Energy: 1.4464752890540389
Energy: 1.2398210535426906
Energy: 1.44647528905469
Energy: 1.2427137016860756
Energy: 1.44647528905469
Energy: 1.4530362750572245
Energy: 1.5464371658524148
Energy: 1.2427975221594343
Energy: 1.5464371658537168
Energy: 1.4530362750565737
Energy: 1.546437165855019
Energy: 1.3088042149641304
Energy: 1.5126393850739803
Energy: 1.366882183009209
Energy: 1.5126393850752822
Energy: 1.3088042149628283
Energy: 1.5126393850752822
Energy: 1.3756663564762264
Energy: 1.4931490452804976
Energy: 1.298817329483676
Energy: 1.4931490452811484
Energy: 1.3756663564762264
Energy: 1.4931490452811484
Energy: 1.4393740943262614
Energy: 1.5342097385609172
Energy: 1.3270597647108027
Energy: 1.5342097385609172
Energy: 1.4393740943282145
Energy: 1.5342097385609172
Energy: 1.309685372071205
Energy: 1.4487030629303612
Energy: 1.3213681315098738
Energy: 1.4487030629284081
Energy: 1.3096853720731578
Energy: 1.448703062921898
Energy: 1.4346653747555773
Energy: 1.5573340668349362
Energy: 1.242727360510225
Energy: 1.5573340668362385
Energy: 1.4346653747568794
Energy: 1.5573340668355873
Energy: 1.238820833270706
Energy: 1.598037985522955
Energy: 1.2416088778366496
Energy: 1.5884498759656656
Energy: 1.2388208332700552
Energy: 1.598037985522304
Energy: 1.2433610425119737
Energy: 1.5572974624631524
Energy: 1.4346545295540973
Energy: 1.5572974624644544
Energy: 1.2433610425126247
Energy: 1.5572974624638032
Energy: 1.3212321223691483
Energy: 1.4507555578679807
Energy: 1.3110500447351365
Energy: 1.4507555578634235
Energy: 1.3212321223697996
Energy: 1.4507555578653766
Energy: 1.3269726445205297
Energy: 1.5342360289857462
Energy: 1.4392297463624155
Energy: 1.5342360289981158
Energy: 1.3269726445198786
Energy: 1.5342360289844441
Energy: 1.3055731001912634
Energy: 1.4934914907343
Energy: 1.3760170321969492
Energy: 1.4934914907303938
Energy: 1.3055731001912634
Energy: 1.4934914907329977
Energy: 1.3632585645303819
Energy: 1.513271048511837
Energy: 1.3087656315667258
Energy: 1.5132710485105347
Energy: 1.363258564532986
Energy: 1.513271048509884
Energy: 1.2425397673098684
Energy: 1.546674912501982
Energy: 1.453269135152289
Energy: 1.5466749125006802
Energy: 1.2425397673814518
Energy: 1.5466749125013313
Energy: 1.2415986841075461
Energy: 1.4433863267766678
Energy: 1.2427050733740936
Energy: 1.4433863267766678
Energy: 1.2415986841062443
Energy: 1.4433863267766678
Energy: 1.3005546605309855
Energy: 1.4901560315038918
Energy: 1.306597181787352
Energy: 1.4901560315038918
Energy: 1.3005546605283813
Energy: 1.490156031505194
Energy: 1.331737159408821
Energy: 1.5096860199008897
Energy: 1.4849434583546404
Energy: 1.5096860198982853
Energy: 1.331737159409472
Energy: 1.5096860198989364
Energy: 1.2663977166596116
Energy: 1.5275648549118197
Energy: 1.4375390054103165
Energy: 1.5275648549137728
Energy: 1.2663977166628668
Energy: 1.5275648549131218
Energy: 1.3290942771806926
Energy: 1.518695419332585
Energy: 1.430809162722
Energy: 1.518695419331934
Energy: 1.3290942771839478
Energy: 1.518695419331934
Energy: 1.3470463421724823
Energy: 1.4903516173829134
Energy: 1.43374625998625
Energy: 1.4903516173842153
Energy: 1.347046342165972
Energy: 1.4903516173842153
Energy: 1.3261123504506265
Energy: 1.5200981591776614
Energy: 1.4947622565884944
Energy: 1.5200981591757083
Energy: 1.3261123504512775
Energy: 1.5200981591750573
Energy: 1.3018168983103588
Energy: 1.4912288976844246
Energy: 1.2388662893100797
Energy: 1.4912288976837738
Energy: 1.3018168983266347
Energy: 1.4912288976831227
Energy: 1.2351566706615476
Energy: 1.4905082374312597
Energy: 1.256454921829098
Energy: 1.4905082374293068
Energy: 1.2351566706582926
Energy: 1.4905082374299579
Energy: 1.2351675936139301
Energy: 1.4939746156713911
Energy: 1.25712591205909
Energy: 1.4939746156713911
Energy: 1.2351675936152322
Energy: 1.4939746156720421
Energy: 1.319376088434249
Energy: 1.5263692355550627
Energy: 1.30016533132899
Energy: 1.5263692355557137
Energy: 1.3193760884335979
Energy: 1.5263692355557137
Energy: 1.328189958856113
Energy: 1.4832884093859515
Energy: 1.4351096691522305
Energy: 1.4832884093846492
Energy: 1.3281899588593682
Energy: 1.4832884093853003
Energy: 1.4109712514485626
Energy: 1.5736687268159206
Energy: 1.6105490523778463
Energy: 1.5736687268159206
Energy: 1.4109712514498645
Energy: 1.5736687268165717
Energy: 1.3383041640589068
Energy: 1.5056034144558548
Energy: 1.4356270299170806
Energy: 1.5056034144558548
Energy: 1.3383041640602087
Energy: 1.5056034144565056
Energy: 1.318103382887661
Energy: 1.526139916117754
Energy: 1.3000542757167741
Energy: 1.5261399161184048
Energy: 1.3181033828896138
Energy: 1.5261399161184048
Energy: 1.2343187622453364
Energy: 1.4940764817511833
Energy: 1.2571203650016574
Energy: 1.4940764817485794
Energy: 1.2343187622459875
Energy: 1.4940764817485794
Energy: 1.2701335398560911
Energy: 1.490820059321237
Energy: 1.2564587846545818
Energy: 1.490820059319935
Energy: 1.2701335398450235
Energy: 1.490820059319935

minimum gb energy = 1.2343187622446856 eV
minimum distance =  2.18702914194351 Angstroms
sigma value = 57


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

Energy: 1.3857548336010215
Energy: 1.4401169904819269
Energy: 1.454599892293415
Energy: 1.4401169904819269
Energy: 1.3857548335995395
Energy: 1.4401169904819269
Energy: 1.4185659120150018
Energy: 1.4730201668544913
Energy: 1.1579277226188722
Energy: 1.4730201668574552
Energy: 1.4185659120150018
Energy: 1.4730201668559735
Energy: 1.1308824697085438
Energy: 1.4151057878092876
Energy: 1.2701709554825642
Energy: 1.4151057878092876
Energy: 1.130882469710026
Energy: 1.4151057878092876
Energy: 1.151751056406703
Energy: 1.4130179983889137
Energy: 1.2180953402522459
Energy: 1.4130179983889137
Energy: 1.151751056406703
Energy: 1.4130179983903957
Energy: 1.1521578487347715
Energy: 1.4445469052407665
Energy: 1.222031928373257
Energy: 1.4445469052407665
Energy: 1.1521578487362536
Energy: 1.4445469052407665
Energy: 1.4392846682649238
Energy: 1.4125084889575679
Energy: 1.1314258828483479
Energy: 1.412508488956086
Energy: 1.4392846682649238
Energy: 1.412508488956086
Energy: 1.438960636949943
Energy: 1.4127047873589151
Energy: 1.1322620593355224
Energy: 1.4127047873589151
Energy: 1.438960636949943
Energy: 1.412704787360397
Energy: 1.152311870098688
Energy: 1.4395050279652164
Energy: 1.2207030812356772
Energy: 1.4395050279652164
Energy: 1.1523118700972061
Energy: 1.4395050279637343
Energy: 1.1515931307429976
Energy: 1.4137160615764073
Energy: 1.2203649517548045
Energy: 1.4137160615778892
Energy: 1.1515931307429976
Energy: 1.4137160615764073
Energy: 1.1308498746789208
Energy: 1.4147605623988284
Energy: 1.2707827924874102
Energy: 1.4147605623988284
Energy: 1.1308498746789208
Energy: 1.4147605623988284
Energy: 1.418291651545481
Energy: 1.4730201668633833
Energy: 1.159157655482284
Energy: 1.4730201668574552
Energy: 1.418291651545481
Energy: 1.4730201668530094
Energy: 1.3857548335995395
Energy: 1.4401169904775148
Energy: 1.4023684978779685
Energy: 1.4401169904804452
Energy: 1.3857548335995395
Energy: 1.440116990478963
Energy: 1.4185659120150018
Energy: 1.4730201668574552
Energy: 1.1579277226203544
Energy: 1.4730201668470817
Energy: 1.4185659120150018
Energy: 1.4730201668544913
Energy: 1.1308824697085438
Energy: 1.4151057878092876
Energy: 1.2701709554825642
Energy: 1.4151057878092876
Energy: 1.1308824697085438
Energy: 1.4151057878078057
Energy: 1.1517510564081848
Energy: 1.4130179983889137
Energy: 1.1600207292153923
Energy: 1.4130179983918776
Energy: 1.1517510564081848
Energy: 1.4130179983918776
Energy: 1.1521578487362536
Energy: 1.4445469052422486
Energy: 1.255112736169449
Energy: 1.4445469052422486
Energy: 1.1521578487362536
Energy: 1.4445469052422486
Energy: 1.4392846682649238
Energy: 1.412508488954604
Energy: 1.131425882845384
Energy: 1.412508488956086
Energy: 1.439284668266406
Energy: 1.412508488956086
Energy: 1.438960636949943
Energy: 1.4127047873589151
Energy: 1.1322620593370045
Energy: 1.4127047873589151
Energy: 1.438960636949943
Energy: 1.4127047873589151
Energy: 1.152311870098688
Energy: 1.4395050279622523
Energy: 1.1571210160331442
Energy: 1.4395050279622523
Energy: 1.1523118700972061
Energy: 1.4395050279637343

minimum gb energy = 1.1308498746789208 eV
minimum distance =  2.18083265638143 Angstroms
sigma value = 11


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

Energy: 1.254159948331228
Energy: 1.3792307202504197
Energy: 1.3526661904106847
Energy: 1.3792307202504197
Energy: 1.2541599483323136
Energy: 1.3792307202504197
Energy: 1.7324567468942886
Energy: 1.3263743928367049
Energy: 1.0703231398339115
Energy: 1.3263743928388758
Energy: 1.7324567468932033
Energy: 1.326374392835619
Energy: 1.2312714137457907
Energy: 1.31213246739215
Energy: 1.2055722546346472
Energy: 1.3121324673899788
Energy: 1.2312714137436194
Energy: 1.3121324673888932
Energy: 1.2667556913740095
Energy: 1.2985721452392291
Energy: 1.0692550883682574
Energy: 1.2985721452381436
Energy: 1.2667556913729239
Energy: 1.2985721452392291
Energy: 1.0664361075791866
Energy: 1.3791636800719027
Energy: 1.191399575573611
Energy: 1.379163680072988
Energy: 1.0664361075791866
Energy: 1.3791636800719027
Energy: 1.0786285515203877
Energy: 1.3649837922779842
Energy: 1.0805844045724122
Energy: 1.3649837922779842
Energy: 1.0786285515203877
Energy: 1.3649837922768986
Energy: 1.078345701621705
Energy: 1.396141061507335
Energy: 1.0763830712478655
Energy: 1.3961410615084204
Energy: 1.0783457016206197
Energy: 1.396141061507335
Energy: 1.483261569813504
Energy: 1.3754427095848225
Energy: 1.0928051029950023
Energy: 1.3754427095837367
Energy: 1.483261569811333
Energy: 1.3754427095826514
Energy: 1.4817727541884493
Energy: 1.3730103187162954
Energy: 1.4188053841554593
Energy: 1.3730103187162954
Energy: 1.4817727541873638
Energy: 1.3730103187162954
Energy: 1.0786768418746924
Energy: 1.3103891250975563
Energy: 1.0806732082784498
Energy: 1.3103891250975563
Energy: 1.0786768418746924
Energy: 1.3103891250964708
Energy: 1.0785692000439469
Energy: 1.3605298648991113
Energy: 1.0776518246916105
Energy: 1.3605298648991113
Energy: 1.0785692000450322
Energy: 1.3605298648991113
Energy: 1.0663867599739474
Energy: 1.3752993443188273
Energy: 1.0810433966556303
Energy: 1.3752993443188273
Energy: 1.0663867599728618
Energy: 1.3752993443199129
Energy: 1.4837571227071351
Energy: 1.203868533196045
Energy: 1.107644291806008
Energy: 1.203868533196045
Energy: 1.483757122708221
Energy: 1.203868533193874
Energy: 1.0720312640179848
Energy: 1.3093203797581443
Energy: 1.091317800592793
Energy: 1.3093203797570587
Energy: 1.0720312640776917
Energy: 1.3093203797592299
Energy: 1.732270298885247
Energy: 1.3266259953002777
Energy: 1.0755815664827546
Energy: 1.326625995299192
Energy: 1.732270298885247
Energy: 1.326625995297021
Energy: 1.2433363688188526
Energy: 1.3752189689079226
Energy: 1.300037941702524
Energy: 1.3752189689057515
Energy: 1.2433363688177672
Energy: 1.3752189689035805
Energy: 1.7492471298003434
Energy: 1.3244369134751217
Energy: 1.0802919069004284
Energy: 1.3244369134729501
Energy: 1.7492471298068568
Energy: 1.324436913471865
Energy: 1.0729954529091619
Energy: 1.3097033260210837
Energy: 1.094794467438952
Energy: 1.3097033260210837
Energy: 1.0729954529145895
Energy: 1.3097033260210837
Energy: 1.2659642884803095
Energy: 1.3033537947632121
Energy: 1.0758892962308075
Energy: 1.3033537947642977
Energy: 1.265964288481395
Energy: 1.3033537947621263
Energy: 1.066452503868514
Energy: 1.3793161774863834
Energy: 1.0817697357795628
Energy: 1.3793161774863834
Energy: 1.0664525038674282
Energy: 1.3793161774863834
Energy: 1.5256330348874816
Energy: 1.362395913298808
Energy: 1.0686639925253492
Energy: 1.362395913298808
Energy: 1.5256330348863958
Energy: 1.362395913298808
Energy: 1.0788881798233787
Energy: 1.3987963631918516
Energy: 1.0725723861243095
Energy: 1.3987963631929372
Energy: 1.0788881798244645
Energy: 1.3987963631929372
Energy: 1.4863782147103903
Energy: 1.3723665019583104
Energy: 1.0931536933028636
Energy: 1.372366501957225
Energy: 1.4863782147093052
Energy: 1.3723665019583104
Energy: 1.0669068139488318
Energy: 1.3797643279097798
Energy: 1.4630774714276864
Energy: 1.3797643279097798
Energy: 1.0669068139477462
Energy: 1.3797643279076084
Energy: 1.0794361981305969
Energy: 1.3052960192614471
Energy: 1.071800285058005
Energy: 1.3052960192592762
Energy: 1.079436198128426
Energy: 1.3052960192603615
Energy: 1.079178096956424
Energy: 1.3606885651745344
Energy: 1.0722230145058191
Energy: 1.3606885651745344
Energy: 1.0791780969553386
Energy: 1.3606885651756202

minimum gb energy = 1.0663867599728618 eV
minimum distance =  2.23555905859643 Angstroms
sigma value = 41


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

Energy: 1.5516006457112013
Energy: 1.3424910775438597
Energy: 1.2924057710577896
Energy: 1.3424910775438597
Energy: 1.551600645710346
Energy: 1.342491077543004
Energy: 1.7143206847832813
Energy: 1.205142300657879
Energy: 0.9950282496149956
Energy: 1.2051423006587345
Energy: 1.7143206847832813
Energy: 1.2051423006587345
Energy: 1.0696284465579555
Energy: 1.2645970737160852
Energy: 1.0202646153845267
Energy: 1.264597073716941
Energy: 1.069628446559667
Energy: 1.264597073716941
Energy: 1.5079756178092356
Energy: 1.1785653257874373
Energy: 0.9932832839549808
Energy: 1.1785653257865818
Energy: 1.50797561780838
Energy: 1.1785653257874373
Energy: 1.112232246938701
Energy: 1.1890864114672974
Energy: 1.013330905895399
Energy: 1.1890864114690085
Energy: 1.1122322469395565
Energy: 1.1890864114690085
Energy: 1.3039003020545137
Energy: 1.2443010102592935
Energy: 0.998084509636637
Energy: 1.2443010102584378
Energy: 1.3039003020545137
Energy: 1.2443010102584378
Energy: 0.995288579595432
Energy: 1.2528058315142154
Energy: 0.9947895620540271
Energy: 1.252805831515071
Energy: 0.9952885795962877
Energy: 1.2528058315159263
Energy: 1.3538622955030197
Energy: 1.2541155610338626
Energy: 1.0154907899330248
Energy: 1.2541155610338626
Energy: 1.3538622955013087
Energy: 1.2541155610338626
Energy: 1.010911975211006
Energy: 1.191105288607883
Energy: 1.153467713699911
Energy: 1.191105288609594
Energy: 1.0109119752127174
Energy: 1.191105288609594
Energy: 1.313308274698496
Energy: 1.2526891587385476
Energy: 1.3102955075050875
Energy: 1.2526891587385476
Energy: 1.3133082746993516
Energy: 1.2526891587385476
Energy: 1.312879895666601
Energy: 1.2527854345446077
Energy: 1.3095661421570968
Energy: 1.252785434546319
Energy: 1.3128798956648897
Energy: 1.252785434546319
Energy: 1.004882044432424
Energy: 1.2718666462778825
Energy: 1.0139261158433295
Energy: 1.271866646276171
Energy: 1.0048820444332798
Energy: 1.278469106565994
Energy: 1.0104142568301802
Energy: 1.2451608097619098
Energy: 1.2206096966596904
Energy: 1.245160809761054
Energy: 1.0104142568293244
Energy: 1.2451608097619098
Energy: 0.9928905225362059
Energy: 1.2524261251417652
Energy: 0.9936049689122548
Energy: 1.2524261251426207
Energy: 0.9928905225344945
Energy: 1.2524261251434765
Energy: 1.3093925368617858
Energy: 1.2453300800309606
Energy: 0.9940721352099448
Energy: 1.2453300800318161
Energy: 1.3093925368609303
Energy: 1.2453300800309606
Energy: 0.9964923598023172
Energy: 1.2797950140262857
Energy: 0.992819520038212
Energy: 1.2797950140271412
Energy: 0.9964923598031726
Energy: 1.2797950140262857
Energy: 1.291817807732467
Energy: 1.273180889460178
Energy: 1.0139248260066918
Energy: 1.273180889460178
Energy: 1.291817807732467
Energy: 1.2731808894593224
Energy: 1.0162645968483723
Energy: 1.253317817863159
Energy: 1.0064257895944344
Energy: 1.2533178178640147
Energy: 1.0162645968466613
Energy: 1.2533178178640147
Energy: 1.7187442354899227
Energy: 1.205206704467871
Energy: 0.9947231662063104
Energy: 1.205206704467871
Energy: 1.7187442354899227
Energy: 1.205206704467871
Energy: 1.3065317472957354
Energy: 1.2783526770021099
Energy: 1.3123932324886505
Energy: 1.2783526770029654
Energy: 1.3065317472888902
Energy: 1.2783526770029654
Energy: 1.7094043090580762
Energy: 1.2049225338579663
Energy: 1.0015616361525819
Energy: 1.2049225338596776
Energy: 1.7094043090580762
Energy: 1.2049225338571108
Energy: 1.016649245729081
Energy: 1.2530202245657345
Energy: 1.0087898877261168
Energy: 1.253020224564879
Energy: 1.0166492457094018
Energy: 1.2530202245657345
Energy: 1.505919060236614
Energy: 1.1783599527056225
Energy: 0.9941382823116631
Energy: 1.1783599527064783
Energy: 1.5059190602349024
Energy: 1.178359952707334
Energy: 0.9945407782036552
Energy: 1.2158716100362412
Energy: 1.154827142473374
Energy: 1.2158716100370968
Energy: 0.9945407782036552
Energy: 1.2158716100379523
Energy: 1.1546874376463252
Energy: 1.2442490567490774
Energy: 0.9982968136399206
Energy: 1.244249056749933
Energy: 1.1546874376454697
Energy: 1.2442490567490774
Energy: 0.9927782357362819
Energy: 1.2157299923348768
Energy: 1.141669985691797
Energy: 1.2157299923374436
Energy: 0.9927782357362819
Energy: 1.2157299923357323
Energy: 1.351900999700303
Energy: 1.2526046387190986
Energy: 1.016811544250151
Energy: 1.2526046387190986
Energy: 1.3519009996985918
Energy: 1.2526046387190986
Energy: 1.005268906738626
Energy: 1.2244728236415703
Energy: 1.5002520769962067
Energy: 1.2244728236407147
Energy: 1.0052689067377705
Energy: 1.2244728236415703
Energy: 1.3120884873557677
Energy: 1.2532930527204955
Energy: 1.3044843901702632
Energy: 1.2532930527196398
Energy: 1.3120884873574785
Energy: 1.2532930527196398
Energy: 0.9928622861017324
Energy: 1.2482653426092916
Energy: 1.3100345915787903
Energy: 1.2482653426101473
Energy: 0.9928622861025881
Energy: 1.2482653426092916
Energy: 1.0048539255145523
Energy: 1.2525491974905687
Energy: 1.0149482387946678
Energy: 1.2525491974905687
Energy: 1.004853925515408
Energy: 1.2525491974905687
Energy: 1.0049995011373027
Energy: 1.2441103117300492
Energy: 1.2877213518729516
Energy: 1.2441103117300492
Energy: 1.0049995011373027
Energy: 1.2441103117292325
Energy: 0.9947737196908774
Energy: 1.2526361843237812
Energy: 0.9968788449322399
Energy: 1.252636184322926
Energy: 0.9947737196891662
Energy: 1.2526361843237812

minimum gb energy = 0.9927782357362819 eV
minimum distance =  2.23068413034729 Angstroms
sigma value = 33


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

Energy: 1.2949605900321663
Energy: 1.1323627113314618
Energy: 1.0520049129099291
Energy: 1.1323627113302606
Energy: 1.294960590032767
Energy: 1.1323627113302606
Energy: 1.857969156924579
Energy: 1.036189676361327
Energy: 0.8922517688591082
Energy: 1.036189676361327
Energy: 1.8579691569233785
Energy: 1.036189676360126
Energy: 1.2753495837176718
Energy: 1.1303458463540803
Energy: 1.0413159376839825
Energy: 1.1303458463534797
Energy: 1.2753495837170712
Energy: 1.1303458463552811
Energy: 1.7166991715053186
Energy: 1.023160579667755
Energy: 0.892426412574511
Energy: 1.0231605796665542
Energy: 1.7166991715053186
Energy: 1.023160579667755
Energy: 0.9483024633314663
Energy: 1.104931522794301
Energy: 0.8997192692770976
Energy: 1.1049315227937007
Energy: 0.9483024633296648
Energy: 1.1049315227918992
Energy: 1.3766088084091799
Energy: 1.0756417287845195
Energy: 0.8925568539385116
Energy: 1.0756417287851199
Energy: 1.3766088084097803
Energy: 1.0756417287857207
Energy: 0.929713670502502
Energy: 1.0892639574542151
Energy: 0.8902341004619605
Energy: 1.0892639574530143
Energy: 0.9297136705007005
Energy: 1.0892639574536147
Energy: 1.2359311255543355
Energy: 1.0781355256702239
Energy: 0.9004741170528806
Energy: 1.0781355256720253
Energy: 1.235931125552534
Energy: 1.0781355256714245
Energy: 0.9119878057793744
Energy: 1.1050716167375088
Energy: 1.0659990729633695
Energy: 1.1050716167381096
Energy: 0.9119878057793744
Energy: 1.1050716167375088
Energy: 1.093883379542117
Energy: 1.1088781883250012
Energy: 1.1866676959245457
Energy: 1.1088781883231997
Energy: 1.0938833795403156
Energy: 1.1088781883231997
Energy: 0.9063665223269369
Energy: 1.089042626342481
Energy: 1.1073946709095357
Energy: 1.0890426263400792
Energy: 0.9063665223299392
Energy: 1.0890426263406796
Energy: 1.4024736759429033
Energy: 1.123897009419981
Energy: 1.1299756370893355
Energy: 1.1238970094193805
Energy: 1.4024736759453054
Energy: 1.1238970094205813
Energy: 1.0989282930465984
Energy: 1.1059000234770267
Energy: 1.242967427905509
Energy: 1.1059000234782275
Energy: 1.0989282930441966
Energy: 1.1059000234758254
Energy: 1.1289944304132982
Energy: 1.123894655906218
Energy: 1.3967807345646408
Energy: 1.123894655906218
Energy: 1.128994430410896
Energy: 1.1238946559068186
Energy: 1.1054152999268847
Energy: 1.0820516097594173
Energy: 1.4079642370069216
Energy: 1.0820516097600177
Energy: 1.1054152999262838
Energy: 1.0820516097594173
Energy: 1.1000429606890598
Energy: 1.1249145748112928
Energy: 1.1282494498032376
Energy: 1.124914574810692
Energy: 1.1000429606896607
Energy: 1.1249145748094913
Energy: 1.0978249586559252
Energy: 1.1052241443048922
Energy: 1.3291838919278762
Energy: 1.105224144306694
Energy: 1.097824958651722
Energy: 1.105224144306694
Energy: 0.8905401953214886
Energy: 1.1242097934783175
Energy: 1.1064169317237158
Energy: 1.1242097934777169
Energy: 0.8905401953232901
Energy: 1.1242097934777169
Energy: 1.107252643096504
Energy: 1.1030392665985145
Energy: 1.0948799116052925
Energy: 1.103039266600316
Energy: 1.107252643095303
Energy: 1.103039266599115
Energy: 0.8986808969061738
Energy: 1.1244548973918376
Energy: 0.900899038847516
Energy: 1.12445489739484
Energy: 0.8986808969073747
Energy: 1.12445489739484
Energy: 1.0988485806556691
Energy: 1.1041307943072611
Energy: 1.0671106932714352
Energy: 1.1041307943090624
Energy: 1.098848580653267
Energy: 1.1041307943078615
Energy: 0.9131450831450239
Energy: 1.1240222362952963
Energy: 0.8928197818775205
Energy: 1.124022236295897
Energy: 0.9131450831450239
Energy: 1.1240222362952963
Energy: 1.3850781311175149
Energy: 1.11606270262485
Energy: 0.8898770901510472
Energy: 1.116062702627252
Energy: 1.3850781311181153
Energy: 1.116062702627252
Energy: 0.9329005386576747
Energy: 1.1247367633848682
Energy: 0.8927400704223594
Energy: 1.1247367633812653
Energy: 0.9329005386558734
Energy: 1.1247367633824665
Energy: 1.3834405136130754
Energy: 1.1050937472650897
Energy: 1.0593495573293368
Energy: 1.1050937472662907
Energy: 1.383440513613676
Energy: 1.1050937472662907
Energy: 1.2541561351024002
Energy: 1.1240550719636613
Energy: 0.896589417823977
Energy: 1.1240550719648625
Energy: 1.2541561351048023
Energy: 1.1240550719648625
Energy: 1.859305700318896
Energy: 1.0530574612467638
Energy: 0.8900696872682504
Energy: 1.0530574612473644
Energy: 1.8593057003182958
Energy: 1.0530574612461636
Energy: 1.1512160001685658
Energy: 1.1236597060885183
Energy: 1.1370253557020182
Energy: 1.123659706089719
Energy: 1.151216000163762
Energy: 1.123659706089719
Energy: 1.5344940033414873
Energy: 1.0950391728373412
Energy: 0.9919696099643882
Energy: 1.0950391728337383
Energy: 1.5344940033420877
Energy: 1.0950391728343385
Energy: 1.1197210873267727
Energy: 1.1238137583769987
Energy: 1.1141097452016788
Energy: 1.1238137583745968
Energy: 1.1197210871580923
Energy: 1.1238137583757977
Energy: 1.5408686490974863
Energy: 1.024160601225675
Energy: 0.8902859177820175
Energy: 1.0241606012268762
Energy: 1.5408686490950845
Energy: 1.0241606012262756
Energy: 0.9197865090314186
Energy: 1.10803954850383
Energy: 1.1227550567892377
Energy: 1.10803954850383
Energy: 0.9197865090272151
Energy: 1.10803954850383
Energy: 1.2378165154704774
Energy: 1.0750480843598573
Energy: 0.8987324867263109
Energy: 1.0750480843628596
Energy: 1.237816515471678
Energy: 1.0750480843622592
Energy: 0.9099469260182073
Energy: 1.0782199926215215
Energy: 1.4167827172450396
Energy: 1.0782199926245237
Energy: 0.9099469260194082
Energy: 1.078219992626325
Energy: 1.4168466761548653
Energy: 1.0782002182631953
Energy: 0.9118620336120334
Energy: 1.0782002182631953
Energy: 1.4168466761542644
Energy: 1.0782002182631953
Energy: 0.89841063363549
Energy: 1.075434788985967
Energy: 1.2367946651148085
Energy: 1.0754347889853664
Energy: 0.8984106336342892
Energy: 1.0754347889841656
Energy: 1.1227021664899302
Energy: 1.1082856074381677
Energy: 0.9311918386658348
Energy: 1.1082856074381677
Energy: 1.1227021664911314
Energy: 1.1082856074387684
Energy: 0.8903786628113697
Energy: 1.0234996199832778
Energy: 1.5404889282638978
Energy: 1.0234996199838782
Energy: 0.8903786628113697
Energy: 1.0234996199815307
Energy: 1.1141097452034803
Energy: 1.1235058412350822
Energy: 1.2540996852089827
Energy: 1.1235058412338814
Energy: 1.1141097452022792
Energy: 1.1235058412326804
Energy: 1.1020565783711798
Energy: 1.095018805361931
Energy: 1.5343491996181475
Energy: 1.0950188053589285
Energy: 1.1020565783693783
Energy: 1.0950188053589285
Energy: 1.135353235538708
Energy: 1.1241676300303036
Energy: 1.1498965621512782
Energy: 1.1241676300303036
Energy: 1.1353532355405094
Energy: 1.1241676300303036
Energy: 0.8900487600091814
Energy: 1.0519784806038603
Energy: 1.858815891695248
Energy: 1.0519784806080639
Energy: 0.890048760010983
Energy: 1.0519784806056618
Energy: 0.8966548103987925
Energy: 1.1241843741405468
Energy: 1.1243173572568532
Energy: 1.124184374139946
Energy: 0.8966548103999388
Energy: 1.1241843741393456
Energy: 1.102272734484771
Energy: 1.1048578936627462
Energy: 1.3864952570314664
Energy: 1.1048578936633469
Energy: 1.1022727344859717
Energy: 1.1048578936633469
Energy: 0.8924291321057954
Energy: 1.1242467481066805
Energy: 0.9314487206430536
Energy: 1.1242467481060798
Energy: 0.8924291321069965
Energy: 1.1242467481042784
Energy: 0.8899192938218077
Energy: 1.1160627026254506
Energy: 1.3863013030420945
Energy: 1.1160627026236491
Energy: 0.8899192938224083
Energy: 1.1160627026230485
Energy: 0.8928330062178987
Energy: 1.1241784418563583
Energy: 0.9097944405924907
Energy: 1.124178441856959
Energy: 0.8928330062160973
Energy: 1.1241784418557579

minimum gb energy = 0.8898770901510472 eV
minimum distance =  2.23358149036084 Angstroms
sigma value = 67


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

Energy: 0.34489100105765097
Energy: 0.2916140416246259
Energy: 1.0477107185827574
Energy: 0.2916140416238278
Energy: 0.34489100105726334
Energy: 0.2916140416242382
Energy: 0.275625158184258
Energy: 0.7104626239965306
Energy: 0.7026820462721426
Energy: 0.7104626239969182
Energy: 0.27562515818466843
Energy: 0.7104626239969182
Energy: 0.3448910010564425
Energy: 0.2916140416246259
Energy: 1.3105617169796626
Energy: 0.2916140416246259
Energy: 0.34489100105726334
Energy: 0.2916140416246259
Energy: 0.27562515818345984
Energy: 0.7104626239961201
Energy: 0.7026821523778604
Energy: 0.7104626239961201
Energy: 0.2756251581830494
Energy: 0.7104626239969182
Energy: 0.3448910010568529
Energy: 0.2916140416242382
Energy: 1.7167406389228215
Energy: 0.2916140416238278
Energy: 0.34489100105726334
Energy: 0.2916140416242382
Energy: 0.27562515818384753
Energy: 0.7104626239957097
Energy: 0.7026821643062429
Energy: 0.7104626239965306
Energy: 0.27562515818384753
Energy: 0.7104626239965306
Energy: 0.34489100105726334
Energy: 0.2916140416246259
Energy: 1.7167406388574245
Energy: 0.2916140416246259
Energy: 0.34489100105726334
Energy: 0.2916140416246259

minimum gb energy = 0.2756251581830494 eV
minimum distance =  2.40398872396518 Angstroms
sigma value = 3


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

Energy: 1.5016004134704901
Energy: 1.1325854808702096
Energy: 1.240372480578626
Energy: 1.1325854808734863
Energy: 1.5016004134699439
Energy: 1.13258548087294
Energy: 1.8954598876871105
Energy: 0.8817545239832264
Energy: 0.8746138552279544
Energy: 0.8817545239859572
Energy: 1.895459887686018
Energy: 0.8817545239870493
Energy: 1.3477540973131115
Energy: 1.1106814083862713
Energy: 1.1440735619203068
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Energy: 1.1702440345267624
Energy: 1.0920765558794188
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Energy: 0.9238172848226267
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Energy: 1.4573111906670606
Energy: 1.0522739783770956
Energy: 0.9238172848220807
Energy: 1.0522739783792798
Energy: 0.9274415810186566
Energy: 1.090010996304929
Energy: 1.1879609916992053
Energy: 1.0900109963011062
Energy: 0.9274415810175641
Energy: 1.0900109963016522
Energy: 0.8813734874070537
Energy: 1.0209021947633108
Energy: 1.4616959947202846
Energy: 1.0209021947644032
Energy: 0.8813734874103306
Energy: 1.020902194764949
Energy: 0.9282904133638107
Energy: 1.101770960497544
Energy: 1.4661810212583328
Energy: 1.101770960497544
Energy: 0.9282904133649029
Energy: 1.1017709604980905
Energy: 0.8740224853027314
Energy: 0.9317247115713032
Energy: 1.6792257865933378
Energy: 0.931724711570211
Energy: 0.8740224853043699
Energy: 0.931724711570211
Energy: 0.8716842585405324
Energy: 1.110338360939279
Energy: 1.4100720411919276
Energy: 1.1103383609376405
Energy: 0.8716842585421708
Energy: 1.110338360939279
Energy: 0.8654295766212143
Energy: 0.9237448437564701
Energy: 1.538309046652968
Energy: 0.9237448437624775
Energy: 0.8654295766223066
Energy: 0.9237448437613853
Energy: 0.9308960583425486
Energy: 1.103657182700756
Energy: 1.4670059649707288
Energy: 1.1036571826985715
Energy: 0.930896058339818
Energy: 1.1036571826980253
Energy: 0.8768304031670109
Energy: 0.9222633724706835
Energy: 1.6095844748528587
Energy: 0.9222633724739603
Energy: 0.8768304031691955
Energy: 0.922263372468499
Energy: 0.9231489866792528
Energy: 1.0899991369177189
Energy: 1.1868347202504523
Energy: 1.089999136928095
Energy: 0.9231489866776145
Energy: 1.089999136928095
Energy: 0.9328696972313794
Energy: 1.0500068698053242
Energy: 1.3320735523658256
Energy: 1.0500068698031395
Energy: 0.9328696972286487
Energy: 1.0500068698042317
Energy: 1.1829063558512982
Energy: 1.0803124399130442
Energy: 1.1683344393021067
Energy: 1.0803124399049018
Energy: 1.18290635584966
Energy: 1.0803124399054478

minimum gb energy = 0.858623565267594 eV
minimum distance =  2.25165604279348 Angstroms
sigma value = 81


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

Energy: 1.5108709969716325
Energy: 1.282579130111188
Energy: 1.3594302576899702
Energy: 1.2825791301126868
Energy: 1.510870996972382
Energy: 1.2825791301119376
Energy: 1.785596799322916
Energy: 0.9942216958388199
Energy: 0.9787689424594622
Energy: 0.9942216958418179
Energy: 1.7855967993251647
Energy: 0.9942216958403188
Energy: 1.421387031314116
Energy: 1.2623352252746043
Energy: 1.149228957097984
Energy: 1.2623352252738549
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Energy: 1.2623352252746043
Energy: 1.3704063105954423
Energy: 1.0377784386387103
Energy: 0.9802353572344731
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Energy: 1.3704063105946929
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Energy: 1.1058829319660861
Energy: 1.232829717053341
Energy: 0.972203873723115
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Energy: 1.2328297170510927
Energy: 1.216661977797924
Energy: 1.2093154132395274
Energy: 1.0653360982445135
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Energy: 0.9722999712243158
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Energy: 1.396929884797693
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Energy: 1.369257857094527
Energy: 1.1927684088257742
Energy: 1.0515240605622977
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Energy: 1.049866816549989
Energy: 1.2432487029679478
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Energy: 1.208964397554287
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Energy: 1.2432195574543916
Energy: 0.9803874927524149
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Energy: 1.3884918243304725
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Energy: 1.3884042624623445
Energy: 1.2449692240066799
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Energy: 1.7770432436122963
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Energy: 0.9687728194878577
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Energy: 1.7773934868030177
Energy: 1.2253782518110534
Energy: 0.9684829426552075
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Energy: 1.2432892842203906
Energy: 0.9847014860262453
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Energy: 1.3884716627856455
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Energy: 1.3690859920841136
Energy: 1.2420797057515798
Energy: 1.043755147901747
Energy: 1.2420797057523296
Energy: 1.369085992081865
Energy: 1.2420797057515798
Energy: 1.3691955612608082
Energy: 1.2226521500702527
Energy: 1.050069275941787
Energy: 1.2226521500695036
Energy: 1.3691955612615576
Energy: 1.2226521500695036
Energy: 1.049614447543516
Energy: 1.2097265951135852
Energy: 1.2091466714354087
Energy: 1.2097265951128355
Energy: 1.0496144475427662
Energy: 1.2097265951135852
Energy: 1.04962054610061
Energy: 1.243357366464174
Energy: 1.0921777192214064
Energy: 1.2433573664671722
Energy: 1.049620546099111
Energy: 1.2433573664671722
Energy: 1.0512131941071268
Energy: 1.1927684088265238
Energy: 1.3705903724870692
Energy: 1.1927684088257742
Energy: 1.0512131941071268
Energy: 1.1927684088257742
Energy: 1.0511873970872707
Energy: 1.2349161249607654
Energy: 1.3973423832158551
Energy: 1.234916124960016
Energy: 1.051187397086521
Energy: 1.234916124960016
Energy: 0.9751847386657052
Energy: 1.2059000825406263
Energy: 1.5146938278573192
Energy: 1.205900082541376
Energy: 0.9751847386657052
Energy: 1.205900082541376
Energy: 0.9699442264522329
Energy: 1.2433048008012737
Energy: 1.3805266570208183
Energy: 1.2433048008027727
Energy: 0.9699442264514833
Energy: 1.2433048008027727
Energy: 0.9753917805499435
Energy: 1.0457983677625162
Energy: 1.5079533416302646
Energy: 1.0457983677617666
Energy: 0.975391780550693
Energy: 1.0457983677617666
Energy: 1.0652653476812572
Energy: 1.2455923528666453
Energy: 1.3986833513683805
Energy: 1.2455923528666453
Energy: 1.0652653476782592
Energy: 1.2455923528666453
Energy: 0.9803571297274
Energy: 1.1036553486079725
Energy: 1.4266295315942328
Energy: 1.1036553486079725
Energy: 0.980357129728899
Energy: 1.1036553486094718
Energy: 1.0482461739375146
Energy: 1.2102304920234364
Energy: 1.0916981859340944
Energy: 1.2102304920226867
Energy: 1.0482461739390136
Energy: 1.2102304920226867
Energy: 1.0662096275132784
Energy: 1.2450150066006604
Energy: 1.2195485496590779
Energy: 1.2450150065999108
Energy: 1.0662096275102804
Energy: 1.2450150065991612

minimum gb energy = 0.9639306979336424 eV
minimum distance =  2.18797628509501 Angstroms
sigma value = 43


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

Energy: 1.5404948630744502
Energy: 1.3672610475915028
Energy: 1.2366655892058793
Energy: 1.3672610475915028
Energy: 1.5404948630735296
Energy: 1.3672610475915028
Energy: 1.6899225400940427
Energy: 1.0897776860983186
Energy: 1.0486793854132743
Energy: 1.0897776860964774
Energy: 1.6899225400931224
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Energy: 1.0996419769281442
Energy: 1.338024306773075
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Energy: 1.047907018658249
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Energy: 1.2287494460682653
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Energy: 1.0553619033732953
Energy: 1.3423459540557743
Energy: 1.035477158431098
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Energy: 1.1958583551400404
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Energy: 1.1958583551409612
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Energy: 1.3078864101348633
Energy: 1.0807691626963136
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Energy: 1.07156272530051
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Energy: 1.0515286795017555
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Energy: 1.5815258810700645
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Energy: 1.0515286795008347
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Energy: 1.3303693761746376
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Energy: 1.0491239765140954
Energy: 1.3077099458960297
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Energy: 1.3077099458969503
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Energy: 1.0516436799621078
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Energy: 1.0403246597763687
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Energy: 1.038827493586664
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Energy: 1.0404893980872507
Energy: 1.3150687001663444
Energy: 1.0359305325562675
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Energy: 1.0404893980863301
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Energy: 1.418265221749918
Energy: 1.1903802478470182
Energy: 1.0491840511439054
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Energy: 1.418265221750839
Energy: 1.1903802478470182
Energy: 1.4193198699862468
Energy: 1.3079234993214974
Energy: 1.4547370522470178
Energy: 1.3079234993205766
Energy: 1.4193198699862468
Energy: 1.3079234993205766
Energy: 1.451058008029561
Energy: 1.3393410155655645
Energy: 1.0435707567960524
Energy: 1.3393410155655645
Energy: 1.4510580080304816
Energy: 1.3393410155655645
Energy: 1.452414520478436
Energy: 1.3408377272714904
Energy: 1.043943326672262
Energy: 1.3408377272714904
Energy: 1.452414520478436
Energy: 1.3408377272714904
Energy: 1.418424168304223
Energy: 1.3574369472688428
Energy: 1.040107677672248
Energy: 1.3574369472670014
Energy: 1.418424168304223
Energy: 1.3574369472679224
Energy: 1.4192860720431586
Energy: 1.3734524779505324
Energy: 1.040192435343626
Energy: 1.3734524779496113
Energy: 1.4192860720440794
Energy: 1.3734524779496113
Energy: 1.0388511083952643
Energy: 1.3150857419493256
Energy: 1.036912989017589
Energy: 1.3150857419493256
Energy: 1.038851108393423
Energy: 1.3150857419493256
Energy: 1.0406959663271196
Energy: 1.3308514428888933
Energy: 1.039049374943642
Energy: 1.3308514428888933
Energy: 1.0406959663271196
Energy: 1.3308514428888933
Energy: 1.0493293918772268
Energy: 1.3413768312795513
Energy: 1.038747314139257
Energy: 1.3413768312777101
Energy: 1.0493293918772268
Energy: 1.3413768312777101
Energy: 1.051779925811472
Energy: 1.3729310350727002
Energy: 1.08243241984877
Energy: 1.3729310350736208
Energy: 1.051779925811472
Energy: 1.3729310350736208
Energy: 1.040506736413143
Energy: 1.3444349453267073
Energy: 1.4190330201383419
Energy: 1.3444349453276279
Energy: 1.0405067364140637
Energy: 1.3444349453276279
Energy: 1.0435021758753182
Energy: 1.3412075724655887
Energy: 1.4534463757081757
Energy: 1.3412075724655887
Energy: 1.0435021758753182
Energy: 1.3412075724655887
Energy: 1.0525823050676606
Energy: 1.3313774625430963
Energy: 1.3009521430689466
Energy: 1.3313774625430963
Energy: 1.0525823050685812
Energy: 1.3313774625440171
Energy: 1.0734428584594524
Energy: 1.3074392073629173
Energy: 1.082323398060087
Energy: 1.3074392073629173
Energy: 1.0734428584594524
Energy: 1.3074392073619965
Energy: 1.040766390906795
Energy: 1.1909763333231338
Energy: 1.2495830827134227
Energy: 1.1909763333231338
Energy: 1.040766390906795
Energy: 1.1909763333231338
Energy: 1.0364013134248635
Energy: 1.3155453512990631
Energy: 1.0388305763611494
Energy: 1.3155453512990631
Energy: 1.0364013134248635
Energy: 1.3155453512990631

minimum gb energy = 1.0353050940119384 eV
minimum distance =  2.22990758855547 Angstroms
sigma value = 57


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

Energy: 1.213811348361196
Energy: 1.4804415886996347
Energy: 1.386846583291825
Energy: 1.480441588702019
Energy: 1.213811348361196
Energy: 1.480441588702019
Energy: 1.423902231169928
Energy: 1.2159036883672978
Energy: 1.1295373100256156
Energy: 1.215903688369682
Energy: 1.4239022311794651
Energy: 1.215903688370874
Energy: 1.1448043768222098
Energy: 1.4716958056990888
Energy: 1.3417353181842637
Energy: 1.4716958057014728
Energy: 1.1448043768222098
Energy: 1.4716958057002807
Energy: 1.1581523654450292
Energy: 1.15185344575485
Energy: 1.1330351291490868
Energy: 1.1518534457536576
Energy: 1.1581523654462211
Energy: 1.15185344575485
Energy: 1.1294082901515645
Energy: 1.1577583210834284
Energy: 1.1402436585567497
Energy: 1.1577583210846207
Energy: 1.1294082901515645
Energy: 1.1577583210846207
Energy: 1.146416841926981
Energy: 1.4570013411272391
Energy: 1.1324084364785534
Energy: 1.4570013411272391
Energy: 1.1464168419257887
Energy: 1.4570013411272391
Energy: 1.1438355353944623
Energy: 1.3334631506193202
Energy: 1.4228146801129542
Energy: 1.3334631506193202
Energy: 1.1438355353956544
Energy: 1.333463150618128
Energy: 1.145080765926129
Energy: 1.4654999317654607
Energy: 1.1943780173551235
Energy: 1.4654999317654607
Energy: 1.145080765927321
Energy: 1.4654999317642687
Energy: 1.1294965822960052
Energy: 1.1988160995921842
Energy: 1.3003050057047725
Energy: 1.1988160995933763
Energy: 1.1294965822971972
Energy: 1.1988160995909922
Energy: 1.1499900990729814
Energy: 1.456980730031306
Energy: 1.129227888905374
Energy: 1.456980730030114
Energy: 1.1499900990741736
Energy: 1.456980730030114
Energy: 1.1435291516551973
Energy: 1.1455568003527683
Energy: 1.1396432966550456
Energy: 1.1455568002943823
Energy: 1.1435291516551973
Energy: 1.145556800400425
Energy: 1.129927524543828
Energy: 1.3235231341237155
Energy: 1.1293139660117857
Energy: 1.3235231341249076
Energy: 1.12992752454502
Energy: 1.3235231341249076
Energy: 1.129533825440096
Energy: 1.4573134315596612
Energy: 1.1951227155675033
Energy: 1.4573134315608534
Energy: 1.129533825440096
Energy: 1.4573134315596612
Energy: 1.409173454812665
Energy: 1.3213460810775595
Energy: 1.1427619794520187
Energy: 1.3213460810787514
Energy: 1.4091734548150494
Energy: 1.3213460810775595
Energy: 1.6642242130054377
Energy: 1.4642828788014943
Energy: 1.142824841195776
Energy: 1.4642828788003024
Energy: 1.6642242130042455
Energy: 1.4642828788003024
Energy: 1.130008155719065
Energy: 1.4884993636428347
Energy: 1.1294689702212246
Energy: 1.4884993636452188
Energy: 1.1300081557202573
Energy: 1.4884993636428347
Energy: 1.1297906722586593
Energy: 1.33427701521752
Energy: 1.1427764890864707
Energy: 1.33427701521752
Energy: 1.1297906722598512
Energy: 1.33427701521752
Energy: 1.1439885340832208
Energy: 1.3474732654897525
Energy: 1.1444897824856843
Energy: 1.3474732654921369
Energy: 1.1439885340820286
Energy: 1.3474732654897525
Energy: 1.1427462646279651
Energy: 1.3342036346002466
Energy: 1.1297957105752048
Energy: 1.3342036346002466
Energy: 1.1427462646279651
Energy: 1.3342036346002466
Energy: 1.1295055397588836
Energy: 1.4882081612045563
Energy: 1.1299489287320612
Energy: 1.4882081612057485
Energy: 1.1295055397588836
Energy: 1.4882081612057485
Energy: 1.1431864785378245
Energy: 1.4642167706849119
Energy: 1.6638398522558702
Energy: 1.464216770686104
Energy: 1.1431864785366326
Energy: 1.4642167706849119
Energy: 1.1424773997787565
Energy: 1.3303008702576513
Energy: 1.409468369923249
Energy: 1.3303008702612276
Energy: 1.1424773997787565
Energy: 1.3303008702588432
Energy: 1.1643319608645435
Energy: 1.45738600486923
Energy: 1.129537088770154
Energy: 1.457386004868038
Energy: 1.1643319608657359
Energy: 1.457386004868038
Energy: 1.1292604880508188
Energy: 1.3249349049852572
Energy: 1.1299042383911777
Energy: 1.3249349049852572
Energy: 1.1292604880508188
Energy: 1.3249349049876147

minimum gb energy = 1.129227888905374 eV
minimum distance =  2.22588371795245 Angstroms
sigma value = 17


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

Energy: 1.2507984438571398
Energy: 1.2508342201557967
Energy: 1.8011372317152636
Energy: 1.2508342201557967
Energy: 1.2507984438571398
Energy: 1.2508342201557967
Energy: 1.280326594965061
Energy: 1.2530764585698353
Energy: 1.2526380836914996
Energy: 1.2530764585698353
Energy: 1.280326594965061
Energy: 1.2530764585681493
Energy: 1.2718239321604143
Energy: 1.2690545502115729
Energy: 1.4517705590720287
Energy: 1.2690545502115729
Energy: 1.2718239321621
Energy: 1.2690545502115729
Energy: 1.268158393282498
Energy: 1.2668708944851566
Energy: 1.252038064981248
Energy: 1.2668708944868425
Energy: 1.268158393282498
Energy: 1.2668708944868425
Energy: 1.2530357903444567
Energy: 1.2702620810575591
Energy: 1.5206493992900136
Energy: 1.2702620810558731
Energy: 1.2530357903427707
Energy: 1.2702620810575591
Energy: 1.2573736280514063
Energy: 1.251097972264814
Energy: 1.235336252053427
Energy: 1.2510979722664999
Energy: 1.2573736280514063
Energy: 1.251097972264814
Energy: 1.2597118484830463
Energy: 1.3869145747964808
Energy: 1.2795836682495538
Energy: 1.386914574794795
Energy: 1.2597118484830463
Energy: 1.386914574798167
Energy: 1.2594652842784018
Energy: 1.3667317476061136
Energy: 1.25188278095446
Energy: 1.3667317476061136
Energy: 1.2594652842784018
Energy: 1.3667317476077996
Energy: 1.253024029098712
Energy: 1.2676380417961524
Energy: 1.3760559883980086
Energy: 1.2676380417961524
Energy: 1.253024029098712
Energy: 1.2676380417961524
Energy: 1.2355767428246398
Energy: 1.2250903397611783
Energy: 1.253351551202094
Energy: 1.2250903397611783
Energy: 1.235576742822954
Energy: 1.2250903397594923
Energy: 1.2362539567846194
Energy: 1.4688647971226052
Energy: 1.2547364671369379
Energy: 1.468864797124291
Energy: 1.2362539567863053
Energy: 1.4688647971226052
Energy: 1.2639988185790063
Energy: 1.2660954619714682
Energy: 1.255589280603844
Energy: 1.2660954619714682
Energy: 1.2639988185790063
Energy: 1.266095461973154
Energy: 1.2530652033918492
Energy: 1.3682397112174862
Energy: 1.2568684509612669
Energy: 1.3682397112174862
Energy: 1.2530652033918492
Energy: 1.3682397112174862
Energy: 1.258337404287011
Energy: 1.2667890434718985
Energy: 1.2533076660955933
Energy: 1.2667890434735842
Energy: 1.258337404287011
Energy: 1.2667890434735842
Energy: 1.261156275339465
Energy: 1.4812093559917092
Energy: 1.2354927362599166
Energy: 1.4812093559900235
Energy: 1.261156275339465
Energy: 1.4812093559900235
Energy: 1.2569755906907905
Energy: 1.4703255433078213
Energy: 1.2374165194426885
Energy: 1.4703255433381286
Energy: 1.2569755906891045
Energy: 1.4703255433061353
Energy: 1.2557853596370494
Energy: 1.2665011814420042
Energy: 1.2645687867622541
Energy: 1.2665011814403182
Energy: 1.2557853596387354
Energy: 1.2665011814403182

minimum gb energy = 1.2250903397594923 eV
minimum distance =  2.227687679678 Angstroms
sigma value = 17


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

Energy: 1.697415480285639
Energy: 1.692201708353634
Energy: 1.7609955302035687
Energy: 1.692201708355587
Energy: 1.6974154802862607
Energy: 1.692201708354285
Energy: 1.5269210603012933
Energy: 1.3022594972980426
Energy: 1.2877549226976763
Energy: 1.3022594972960897
Energy: 1.5269210603025951
Energy: 1.3022594972941364
Energy: 1.2885786696805486
Energy: 1.3498985835073638
Energy: 1.3138819232451002
Energy: 1.3498985835054107
Energy: 1.2885786696785955
Energy: 1.3498985835002024
Energy: 1.3249457703033625
Energy: 1.5722338323379401
Energy: 1.3352383243214576
Energy: 1.572233832334685
Energy: 1.3249457703079197
Energy: 1.5722338323333829
Energy: 1.2901490471780825
Energy: 1.3483859697211844
Energy: 1.5332301900396463
Energy: 1.3483859697172782
Energy: 1.2901490471793846
Energy: 1.3483859697231078
Energy: 1.3549173243055488
Energy: 1.5738775085432823
Energy: 1.3554953931297125
Energy: 1.5738775085419803
Energy: 1.3549173243042467
Energy: 1.5738775085452354
Energy: 1.2866061299841913
Energy: 1.3803659480901636
Energy: 1.5240459205962071
Energy: 1.3803659480862573
Energy: 1.2866061299848421
Energy: 1.3803659480875592
Energy: 1.6155323516475215
Energy: 1.4303990428227782
Energy: 1.2903335335339448
Energy: 1.4303990428247313
Energy: 1.6155323516468707
Energy: 1.4303990428260334
Energy: 1.3602923467828776
Energy: 1.6398413196941137
Energy: 1.3112833885499409
Energy: 1.6398413196934627
Energy: 1.3602923467822265
Energy: 1.6398413196934627
Energy: 1.6159351019388408
Energy: 1.3437885337945958
Energy: 1.2870910124603665
Energy: 1.347047516223375
Energy: 1.615935101940143
Energy: 1.3437885337939448
Energy: 1.3316108287184782
Energy: 1.6380232438235058
Energy: 1.3371043444100834
Energy: 1.638023243824808
Energy: 1.3316108287178272
Energy: 1.638023243824808
Energy: 1.3218764104768148
Energy: 1.5751127442425588
Energy: 1.2868202529766546
Energy: 1.5751127442373507
Energy: 1.3218764104755127
Energy: 1.5751127442399548
Energy: 1.291869432459947
Energy: 1.4326994196018568
Energy: 1.6814292403388034
Energy: 1.4326994195999039
Energy: 1.291869432459947
Energy: 1.432699419602508
Energy: 1.3025498749191489
Energy: 1.5586666080929437
Energy: 1.6820857323510032
Energy: 1.558666608131976
Energy: 1.3025498749191489
Energy: 1.558666608137184
Energy: 1.3003516608433368
Energy: 1.6476997978665702
Energy: 1.3408615614419483
Energy: 1.6476997978672212
Energy: 1.3003516608407328
Energy: 1.6476997978672212
Energy: 1.3342452092904586
Energy: 1.6368957565074997
Energy: 1.2869142460834821
Energy: 1.6368957565009896
Energy: 1.3342452092872035
Energy: 1.6368957565022915
Energy: 1.32830380908537
Energy: 1.6645244526329663
Energy: 1.3034901459170218
Energy: 1.6645244526336174
Energy: 1.328303809084719
Energy: 1.6645244526336174
Energy: 1.6708845328833186
Energy: 1.5358199446936647
Energy: 1.3103063576329366
Energy: 1.5358199446897585
Energy: 1.6708845328839697
Energy: 1.5358199446949665
Energy: 1.5055042352170118
Energy: 1.5382377058182886
Energy: 1.287062273018456
Energy: 1.5382377058189396
Energy: 1.505504235221569
Energy: 1.5382377058202419
Energy: 1.2903030026014133
Energy: 1.5984972690313768
Energy: 1.2878478023640498
Energy: 1.5310337648278547
Energy: 1.2903030026014133
Energy: 1.5984972690268198
Energy: 1.28708472847853
Energy: 1.5378396305590036
Energy: 1.6674579085196217
Energy: 1.5378396305583526
Energy: 1.28708472847853
Energy: 1.5378396305570505
Energy: 1.3102593285669941
Energy: 1.5316351741340748
Energy: 1.6711778702042375
Energy: 1.531635174134726
Energy: 1.3102593285669941
Energy: 1.531635174136679
Energy: 1.2907243566175204
Energy: 1.6644836624767352
Energy: 1.3288916812320533
Energy: 1.6644836624760841
Energy: 1.2907243566142652
Energy: 1.6644836624767352
Energy: 1.2869617704025045
Energy: 1.569642079121553
Energy: 1.3330047042758233
Energy: 1.569642079121553
Energy: 1.2869617704044576
Energy: 1.569642079121553
Energy: 1.3343296397679507
Energy: 1.6476614082155019
Energy: 1.3017654477725071
Energy: 1.6476614082148509
Energy: 1.334329639769904
Energy: 1.6476614082148509
Energy: 1.6822104107091018
Energy: 1.5500379899951104
Energy: 1.3026252543991763
Energy: 1.5500379900530221
Energy: 1.6822104107110551
Energy: 1.550037989739375
Energy: 1.6812980849936974
Energy: 1.432985926000317
Energy: 1.2919476653175888
Energy: 1.4329859260009679
Energy: 1.6812980849943484
Energy: 1.4329859260035722
Energy: 1.2867403143007619
Energy: 1.5735972667557447
Energy: 1.3212864297873212
Energy: 1.5735972667576976
Energy: 1.286740314301413
Energy: 1.5735972667563956
Energy: 1.3372031848038815
Energy: 1.6375478968000192
Energy: 1.331103427496569
Energy: 1.6375478968000192
Energy: 1.3372031848045325
Energy: 1.637547896796113
Energy: 1.2872688723831875
Energy: 1.4565404031107108
Energy: 1.6158715815012972
Energy: 1.4565404031120128
Energy: 1.2872688723851404
Energy: 1.4565404031094087
Energy: 1.3105460220899219
Energy: 1.6403498317483123
Energy: 1.3603710385381436
Energy: 1.6403498317476612
Energy: 1.310546022091224
Energy: 1.6403498317476612
Energy: 1.290087120976613
Energy: 1.4329047320636892
Energy: 1.6158473237189224
Energy: 1.4329047320636892
Energy: 1.290087120976613
Energy: 1.4329047320643402
Energy: 1.5237774647306261
Energy: 1.3665189076171325
Energy: 1.286655809884016
Energy: 1.3665189076112731
Energy: 1.5237774647306261
Energy: 1.3665189076145285
Energy: 1.356283550027729
Energy: 1.5748813214160047
Energy: 1.356628916395188
Energy: 1.5748813214160047
Energy: 1.356283550025125
Energy: 1.5748813214134003
Energy: 1.5251386675328942
Energy: 1.348385969723759
Energy: 1.2917293359700088
Energy: 1.3483859697231078
Energy: 1.5251386675192522
Energy: 1.3483859697198821
Energy: 1.3351268007377424
Energy: 1.5681077210786356
Energy: 1.3225875619202137
Energy: 1.5681077210792866
Energy: 1.335126800739015
Energy: 1.5681077210773333
Energy: 1.3185971633223927
Energy: 1.346272401830258
Energy: 1.288579635750859
Energy: 1.3462724014554437
Energy: 1.3185971639028429
Energy: 1.346272401954545
Energy: 1.287669749179642
Energy: 1.3146182071872363
Energy: 1.5279994578008722
Energy: 1.3146182071891894
Energy: 1.287669749178991
Energy: 1.3146182071956998
Energy: 1.537904922653995
Energy: 1.692201708356238
Energy: 1.6974154802862607
Energy: 1.692201708356889
Energy: 1.537904922653995
Energy: 1.692201708356889
Energy: 1.2877549226937999
Energy: 1.3022594972902601
Energy: 1.5269210603025951
Energy: 1.3022594972928345
Energy: 1.2877549226951017
Energy: 1.3022594972915325
Energy: 1.313881924687807
Energy: 1.3498985835275459
Energy: 1.2885786696766424
Energy: 1.349898583536009
Energy: 1.3138819237474864
Energy: 1.3498985835223376
Energy: 1.3352383243208066
Energy: 1.5722338323372889
Energy: 1.3249457703821073
Energy: 1.5722338323379401
Energy: 1.3352383243201558
Energy: 1.5722338323379401
Energy: 1.5332301900389953
Energy: 1.34838596971858
Energy: 1.2901490471767807
Energy: 1.348385969715976
Energy: 1.5332301900389953
Energy: 1.3483859697172782

minimum gb energy = 1.2866061299841913 eV
minimum distance =  2.21199271997516 Angstroms
sigma value = 57


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

Energy: 1.4010813624817222
Energy: 1.6611576692952872
Energy: 1.5505107513203946
Energy: 1.6611576693005876
Energy: 1.4010813624827823
Energy: 1.6611576692995276
Energy: 1.3695944400383642
Energy: 1.3138688325752477
Energy: 1.3077739823113128
Energy: 1.3138688325689356
Energy: 1.369594440035184
Energy: 1.3138688325689356
Energy: 1.2793075235636526
Energy: 1.4102120266183062
Energy: 1.3526326796164025
Energy: 1.4102120266225464
Energy: 1.2793075235636526
Energy: 1.4102120266225464
Energy: 1.3917771623683208
Energy: 1.3832228132006692
Energy: 1.3616501274609278
Energy: 1.3832228131953688
Energy: 1.39177716233652
Energy: 1.3832228131890085
Energy: 1.282785528581149
Energy: 1.3868899817866127
Energy: 1.3876515848500341
Energy: 1.3868899817897926
Energy: 1.2827855285769088
Energy: 1.3868899817919127
Energy: 1.384458507704491
Energy: 1.3711819138479584
Energy: 1.360298355810805
Energy: 1.37118191390732
Energy: 1.384458507703431
Energy: 1.371181913839478
Energy: 1.2826005292790117
Energy: 1.3883717842609176
Energy: 1.3242342000386185
Energy: 1.3883717842969585
Energy: 1.2826005292768916
Energy: 1.3883717834662817
Energy: 1.645198655262651
Energy: 1.3565987277605798
Energy: 1.3079096473138405
Energy: 1.3565987276800175
Energy: 1.6451986552594708
Energy: 1.3565987276800175
Energy: 1.3954849489283372
Energy: 1.6989806547670157
Energy: 1.3228479526039796
Energy: 1.698980654761716
Energy: 1.3954849489283372
Energy: 1.6989806547638358
Energy: 1.3620631631752993
Energy: 1.3105770128604262
Energy: 1.3096045525579647
Energy: 1.3105770128657261
Energy: 1.3620631631710594
Energy: 1.310577012864666
Energy: 1.2824250397737744
Energy: 1.48315350805996
Energy: 1.3654607055922832
Energy: 1.483153508016499
Energy: 1.2824250397727146
Energy: 1.4831535081796952
Energy: 1.3759920731652555
Energy: 1.3597083429425676
Energy: 1.3533866507577663
Energy: 1.3597083429436274
Energy: 1.3759920731663158
Energy: 1.3597083429446877
Energy: 1.2875004644370724
Energy: 1.5319081072268472
Energy: 1.3652060349379376
Energy: 1.5319081072268472
Energy: 1.2875004644360124
Energy: 1.531908107222607
Energy: 1.372136006499786
Energy: 1.4251276730509879
Energy: 1.3534329338966073
Energy: 1.425127673060528
Energy: 1.372136006500846
Energy: 1.4251276730573479
Energy: 1.2869403028260775
Energy: 1.3860092588925448
Energy: 1.3240408833186004
Energy: 1.3860092588872446
Energy: 1.2869403028271376
Energy: 1.3860092588904247
Energy: 1.6414883977670534
Energy: 1.580813221209097
Energy: 1.3092346483497317
Energy: 1.580813221208037
Energy: 1.6414883977649335
Energy: 1.5808132212037969
Energy: 1.3858496928934783
Energy: 1.5449801729145551
Energy: 1.318509549022163
Energy: 1.544980172911375
Energy: 1.385849692892418
Energy: 1.5449801729145551
Energy: 1.3698964565713674
Energy: 1.3757073787054162
Energy: 1.3145574311153554
Energy: 1.375707378697996
Energy: 1.3698964565745473
Energy: 1.3757073787064762
Energy: 1.2872018582390032
Energy: 1.5294377726152926
Energy: 1.3545851918792506
Energy: 1.529437772624833
Energy: 1.2872018582421836
Energy: 1.5294377726237727
Energy: 1.3782975362035392
Energy: 1.5446562450376222
Energy: 1.3522850581085963
Energy: 1.5446562450439822
Energy: 1.3782975362024792
Energy: 1.544656245038682
Energy: 1.2950414430404416
Energy: 1.5265136253086695
Energy: 1.3562906212246804
Energy: 1.5265136253076093
Energy: 1.2950414430393817
Energy: 1.5265136253129097
Energy: 1.2805378264697693
Energy: 1.5365390622961443
Energy: 1.3524468802878769
Energy: 1.5365390622961443
Energy: 1.2805378264708294
Energy: 1.5365390623003845
Energy: 1.2899451120070535
Energy: 1.3745621244210113
Energy: 1.3181579228971454
Energy: 1.374562124437972
Energy: 1.2899451120059933
Energy: 1.374562124462304
Energy: 1.3865519717614214
Energy: 1.547322458559278
Energy: 1.3145465325375987
Energy: 1.547322458560338
Energy: 1.3865519717614214
Energy: 1.5473224585560978
Energy: 1.3876569032329031
Energy: 1.542343734385073
Energy: 1.3139213192118049
Energy: 1.5423437359203802
Energy: 1.387656903228663
Energy: 1.5423437345535214
Energy: 1.2801749220309224
Energy: 1.3981521155486276
Energy: 1.3199015049797813
Energy: 1.3981521155560477
Energy: 1.2801749220277423
Energy: 1.398152115558168
Energy: 1.2901893182852933
Energy: 1.536932522158681
Energy: 1.3512068812552231
Energy: 1.5369325221650412
Energy: 1.2901893182831732
Energy: 1.5369325221639814

minimum gb energy = 1.2793075235636526 eV
minimum distance =  2.23552940318604 Angstroms
sigma value = 43


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

Energy: 1.455629312490028
Energy: 1.644896105150323
Energy: 1.7985747913139611
Energy: 1.644896105151095
Energy: 1.4556293124892556
Energy: 1.64489610515264
Energy: 1.3901801454541316
Energy: 1.3576506957645047
Energy: 1.323632449390673
Energy: 1.357650695760643
Energy: 1.390180145454904
Energy: 1.3576506957621877
Energy: 1.3265407203365405
Energy: 1.4384564881124666
Energy: 1.6045876467330273
Energy: 1.4384564881171007
Energy: 1.3265407203365405
Energy: 1.4384564881171007
Energy: 1.4439695272980926
Energy: 1.617901851826512
Energy: 1.4067149783427286
Energy: 1.617901851826512
Energy: 1.443969527296548
Energy: 1.6179018518257398
Energy: 1.326916163880415
Energy: 1.4133082301781659
Energy: 1.415618830554567
Energy: 1.4133082301688977
Energy: 1.3269161638788702
Energy: 1.4133082301658082
Energy: 1.3977639392109853
Energy: 1.423657051462738
Energy: 1.325015356556004
Energy: 1.4236570514542422
Energy: 1.3977639392187087
Energy: 1.423657051469689
Energy: 1.3261258692301257
Energy: 1.411933591673664
Energy: 1.3612009148897886
Energy: 1.4119335918149323
Energy: 1.3261258692301257
Energy: 1.411933591794114
Energy: 1.434405998545164
Energy: 1.4050181825948649
Energy: 1.327928239190735
Energy: 1.4050181825933203
Energy: 1.4344059985436195
Energy: 1.4050181825948649
Energy: 1.4047221743168508
Energy: 1.6185720747959509
Energy: 1.431472123446087
Energy: 1.6185720747974959
Energy: 1.404722174317623
Energy: 1.6185720747951788
Energy: 1.5328509174332576
Energy: 1.4406055783797662
Energy: 1.3259875888576216
Energy: 1.4406055783805387
Energy: 1.532850917429431
Energy: 1.4406055783782217
Energy: 1.324853365439825
Energy: 1.3736902528245005
Energy: 1.622433395506479
Energy: 1.3736902528283623
Energy: 1.324853365439825
Energy: 1.3736902528260455
Energy: 1.3566139672654511
Energy: 1.5906396807457575
Energy: 1.4432910675463595
Energy: 1.5906396807573426
Energy: 1.3566139672654511
Energy: 1.5906396807280287
Energy: 1.3289019484906772
Energy: 1.3622278108196457
Energy: 1.4291435821727312
Energy: 1.3622278108188732
Energy: 1.3289019484914497
Energy: 1.362227810818101
Energy: 1.4037715197872318
Energy: 1.485401024208554
Energy: 1.3260696559683556
Energy: 1.4854010242093265
Energy: 1.4037715197825977
Energy: 1.4854010242093265
Energy: 1.4009819269295027
Energy: 1.6182180484743969
Energy: 1.3591435220727717
Energy: 1.6182180484612672
Energy: 1.400981926927958
Energy: 1.6182180484689905
Energy: 1.406171515746323
Energy: 1.5400849831072994
Energy: 1.3303222063541038
Energy: 1.5400849834909773
Energy: 1.4061715157447783
Energy: 1.5400849828942382
Energy: 1.3307204071236758
Energy: 1.4951125165380978
Energy: 1.3996420055568493
Energy: 1.4951125164554926
Energy: 1.3307204071236758
Energy: 1.4951125166245651
Energy: 1.3560137128264016
Energy: 1.4170249254857044
Energy: 1.325101551759319
Energy: 1.4170249255420502
Energy: 1.3560137128287186
Energy: 1.417024925435502
Energy: 1.3438530568810445
Energy: 1.47060364948632
Energy: 1.4036062154034734
Energy: 1.4706036494870922
Energy: 1.343853056880272
Energy: 1.4706036494870922
Energy: 1.3431556746397313
Energy: 1.5839038529396747
Energy: 1.400742863560208
Energy: 1.58390385295126
Energy: 1.3431556746381865
Energy: 1.583903852947398
Energy: 1.3322482873084682
Energy: 1.4291709026250758
Energy: 1.3560065973039122
Energy: 1.4291709026551622
Energy: 1.3322482873084682
Energy: 1.4291709026559345
Energy: 1.7239335770672015
Energy: 1.481989602025982
Energy: 1.3311304621958138
Energy: 1.481989602023665
Energy: 1.7239335770648847
Energy: 1.4819896020252097
Energy: 1.6246491714468676
Energy: 1.54327248948318
Energy: 1.3580700084296236
Energy: 1.54327248948318
Energy: 1.6246491714460953
Energy: 1.54327248948318
Energy: 1.334602355704573
Energy: 1.6176870436136948
Energy: 1.355929270483709
Energy: 1.6176870435959307
Energy: 1.3346023557030284
Energy: 1.6176870435936137
Energy: 1.3329903675028267
Energy: 1.5838910461015847
Energy: 1.4115048053598456
Energy: 1.5838910461255271
Energy: 1.3329903675020545
Energy: 1.583891046106991
Energy: 1.363082772617961
Energy: 1.567334575411871
Energy: 1.406801121542677
Energy: 1.5673345754149253
Energy: 1.3630827726187336
Energy: 1.567334575414153
Energy: 1.3426525437878565
Energy: 1.5385441553955703
Energy: 1.4005146747422204
Energy: 1.5385441553168266
Energy: 1.342652543788629
Energy: 1.5385441554141064
Energy: 1.3990778007426008
Energy: 1.7343443025933163
Energy: 1.3990558229481633
Energy: 1.7343443025933163
Energy: 1.3990778007441456
Energy: 1.7343443025940888
Energy: 1.4008015343516609
Energy: 1.5408187078259246
Energy: 1.368401112417402
Energy: 1.5408187078259246
Energy: 1.4008015343501163
Energy: 1.5408187078884492
Energy: 1.4059441124064327
Energy: 1.5677065467215077
Energy: 1.360535942699566
Energy: 1.5677065467076403
Energy: 1.4059441124064327
Energy: 1.567706546724597
Energy: 1.411334794503757
Energy: 1.5837363168786471
Energy: 1.3321083970338545
Energy: 1.5837363168771026
Energy: 1.4113347945045294
Energy: 1.5837363168778749
Energy: 1.3559420915257907
Energy: 1.4178954261187147
Energy: 1.3407879859683618
Energy: 1.4178954384050881
Energy: 1.3559420915257907
Energy: 1.417895433807831
Energy: 1.3581310457532056
Energy: 1.5436385016038083
Energy: 1.8207593780959113
Energy: 1.543638501605353
Energy: 1.3581310457555227
Energy: 1.5436385016061256
Energy: 1.3308428147216709
Energy: 1.4852865622612597
Energy: 1.723770402436106
Energy: 1.48528656208987
Energy: 1.3308428147208984
Energy: 1.485286562072106
Energy: 1.3602001911732144
Energy: 1.4178706998263506
Energy: 1.3324404642486858
Energy: 1.4178706998278954
Energy: 1.36020019117167
Energy: 1.4178706998718837
Energy: 1.4012289824511261
Energy: 1.5838180469595342
Energy: 1.3424684392942727
Energy: 1.5838180469595342
Energy: 1.4012289824518984
Energy: 1.5838180469587617

minimum gb energy = 1.323632449390673 eV
minimum distance =  2.2332433794438 Angstroms
sigma value = 81


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

Energy: 1.3698496418955197
Energy: 1.3751746917903247
Energy: 2.209492619295185
Energy: 1.3751746917883252
Energy: 1.3698496418960682
Energy: 1.3751746917883252
Energy: 1.5668955582248434
Energy: 1.374551130277708
Energy: 1.3697770559111149
Energy: 1.3745511302751603
Energy: 1.566895558227391
Energy: 1.37455113027745
Energy: 1.3697349262585938
Energy: 1.374188110820656
Energy: 1.542890727333761
Energy: 1.3741881108186567
Energy: 1.3697349262583036
Energy: 1.3741881108183986
Energy: 1.6448281649574927
Energy: 1.3751746917891638
Energy: 1.3698496418957777
Energy: 1.3751746917891638
Energy: 1.6448281650264371
Energy: 1.3751746917889058
Energy: 1.369777055911663
Energy: 1.374551130277708
Energy: 1.5668955582262623
Energy: 1.3745511302762892
Energy: 1.3697770559111149
Energy: 1.37455113027716
Energy: 1.6969243255973334
Energy: 1.3741881108203657
Energy: 1.3697349262583036
Energy: 1.3741881108192373
Energy: 1.6969243255973334
Energy: 1.3741881108178182
Energy: 1.3698496418957777
Energy: 1.3751746917889058
Energy: 1.644828161716218
Energy: 1.3751746917900345
Energy: 1.3698496418957777
Energy: 1.3751746917886156
Energy: 1.5668955582265527
Energy: 1.37455113027716
Energy: 1.3697770559108249
Energy: 1.374551130277708
Energy: 1.5668955582251336
Energy: 1.37455113027745
Energy: 1.3697349262580134
Energy: 1.374188110818947
Energy: 1.6969243255987523
Energy: 1.374188110818947
Energy: 1.3697349262583036
Energy: 1.374188110818947
Energy: 1.7137561190626984
Energy: 1.3751746917886156
Energy: 1.3698496418957777
Energy: 1.3751746917891638
Energy: 1.7137561190644075
Energy: 1.3751746917900345

minimum gb energy = 1.3697349262580134 eV
minimum distance =  2.23324423789277 Angstroms
sigma value = 3


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

Energy: 1.6756992207897647
Energy: 1.6828976542638399
Energy: 1.6515429995630388
Energy: 1.6828976542646894
Energy: 1.6756992207948602
Energy: 1.6828976542655387
Energy: 1.5784986523691624
Energy: 1.3630166509832564
Energy: 1.3003713574602263
Energy: 1.3630166509832564
Energy: 1.578498652368313
Energy: 1.3630166509841055
Energy: 1.3385569271873292
Energy: 1.3382667197687754
Energy: 1.6103175270343388
Energy: 1.3382667197713232
Energy: 1.3385569271864801
Energy: 1.3382667197713232
Energy: 1.727279406331837
Energy: 1.6793428676020807
Energy: 1.3558281972167137
Energy: 1.6793428677310833
Energy: 1.7272794063335355
Energy: 1.6793428676614868
Energy: 1.3439742145322155
Energy: 1.3419249766368648
Energy: 1.6552106027700828
Energy: 1.3419249766368648
Energy: 1.3439742145313665
Energy: 1.341924976635205
Energy: 1.4911183101645498
Energy: 1.4025101534564195
Energy: 1.304041239804136
Energy: 1.4025101534623636
Energy: 1.4911183097868064
Energy: 1.4025101534606654
Energy: 1.3442852244662808
Energy: 1.351152999308569
Energy: 1.4866176465856602
Energy: 1.3511529993068705
Energy: 1.3442852244671304
Energy: 1.3511529993094178
Energy: 1.341229147318691
Energy: 1.734252541210763
Energy: 1.353247420727652
Energy: 1.734252541211612
Energy: 1.341229147318691
Energy: 1.734252541211612
Energy: 1.341554470827593
Energy: 1.5261501028570665
Energy: 1.6458172739963401
Energy: 1.5261501028630113
Energy: 1.3415544708301408
Energy: 1.5261501028613125
Energy: 1.3388077219383394
Energy: 1.3648516945391398
Energy: 1.2990381457130302
Energy: 1.364851694539989
Energy: 1.3388077219349426
Energy: 1.3648516945357814
Energy: 1.6579941457681417
Energy: 1.5659270533476235
Energy: 1.3739721006312338
Energy: 1.5659270533484724
Energy: 1.6579941457681417
Energy: 1.5659270533484724
Energy: 1.6620338125435665
Energy: 1.3273567125767363
Energy: 1.301757206065729
Energy: 1.3273567125690935
Energy: 1.6620338125452647
Energy: 1.3273567125716412
Energy: 1.3414021878212492
Energy: 1.4287767282379775
Energy: 1.3016666032666395
Energy: 1.4287767282422235
Energy: 1.3414021878212492
Energy: 1.4287767282405253
Energy: 1.3390290579329232
Energy: 1.4141792679312302
Energy: 1.3547450198056474
Energy: 1.4141792679303806
Energy: 1.3390290579354707
Energy: 1.4141792679303806
Energy: 1.34580479359392
Energy: 1.3522360561999656
Energy: 1.35159862937427
Energy: 1.352236056121877
Energy: 1.3458047935922213
Energy: 1.3522360562288385
Energy: 1.3431275622364651
Energy: 1.364313911879699
Energy: 1.3035835990814746
Energy: 1.3643139118788496
Energy: 1.3431275622390129
Energy: 1.364313911876302
Energy: 1.3455631497269325
Energy: 1.4168340553033876
Energy: 1.3038516653191856
Energy: 1.4168340553067844
Energy: 1.3455631497260832
Energy: 1.416834055326316
Energy: 1.3427141254630646
Energy: 1.4417158040861404
Energy: 1.351727267058816
Energy: 1.4417158040844418
Energy: 1.342714125463914
Energy: 1.4417158040852909
Energy: 1.3392529460462363
Energy: 1.4158485420817075
Energy: 1.351459840735886
Energy: 1.4158485420842553
Energy: 1.3392529460470857
Energy: 1.4158485420851046
Energy: 1.3394568932617519
Energy: 1.3437534670124796
Energy: 1.3017786485757696
Energy: 1.3437534389492565
Energy: 1.3394568932592041
Energy: 1.3437534633472175
Energy: 1.6611820510251931
Energy: 1.328697212683569
Energy: 1.3017913225138764
Energy: 1.3286972126801722
Energy: 1.6611820510251931
Energy: 1.3286972126818704
Energy: 1.6569854988675803
Energy: 1.5701685635583287
Energy: 1.3722718370684908
Energy: 1.570168563555781
Energy: 1.6569854988684292
Energy: 1.5701685635549316
Energy: 1.3386745344800242
Energy: 1.3687474778938888
Energy: 1.3025165457326653
Energy: 1.3687474779762239
Energy: 1.3386745344766275
Energy: 1.3687474779346125
Energy: 1.339248984871917
Energy: 1.5332138455111752
Energy: 1.6269144999118477
Energy: 1.5332138455145334
Energy: 1.339248984871917
Energy: 1.5332138455145334
Energy: 1.3418209321687395
Energy: 1.4418336337124598
Energy: 1.3532485844071866
Energy: 1.4418336337124598
Energy: 1.3418209321678904
Energy: 1.4418336337116107
Energy: 1.3435631543093833
Energy: 1.5366678087251728
Energy: 1.43513385928786
Energy: 1.5366678068017539
Energy: 1.3435631543093833
Energy: 1.536667807560599
Energy: 1.3419372749211043
Energy: 1.5646237553325708
Energy: 1.3006119458465644
Energy: 1.5646237553317215
Energy: 1.3419372749211043
Energy: 1.5646237553317215
Energy: 1.3434070043219144
Energy: 1.4075693602949764
Energy: 1.6564856612933585
Energy: 1.4075693603000714
Energy: 1.3434070043236126
Energy: 1.4075693602975239
Energy: 1.4511270941069858
Energy: 1.737199454276995
Energy: 1.3559547555716747
Energy: 1.7371994542778446
Energy: 1.4511270941061367
Energy: 1.7371994542761457
Energy: 1.3377115057859106
Energy: 1.3584732067154879
Energy: 1.4655368631002519
Energy: 1.3584732067146386
Energy: 1.3377115057859106
Energy: 1.3584732067146386
Energy: 1.5690459390196756
Energy: 1.3622912633313244
Energy: 1.2994634483639114
Energy: 1.3622912633347213
Energy: 1.569045939023922
Energy: 1.3622912633313244
Energy: 1.6698482303814695
Energy: 1.6897567157668476
Energy: 1.3681647650569815
Energy: 1.689756715772792
Energy: 1.669848230378922
Energy: 1.6897567157702444
Energy: 1.5688607164381811
Energy: 1.3649163613481206
Energy: 1.298501896268635
Energy: 1.3649163613481206
Energy: 1.5688607164407289
Energy: 1.3649163613489697

minimum gb energy = 1.298501896268635 eV
minimum distance =  2.18894414268357 Angstroms
sigma value = 67


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

Energy: 1.465389155318518
Energy: 1.8010787032276308
Energy: 1.783279720181335
Energy: 1.8010787032276308
Energy: 1.465389155316098
Energy: 1.8010787032276308
Energy: 1.6284113276053083
Energy: 1.409609611647769
Energy: 1.2930438606794616
Energy: 1.409609611645349
Energy: 1.628411327608938
Energy: 1.409609611645349
Energy: 1.297781235486063
Energy: 1.3683737342578648
Energy: 1.4766023578509075
Energy: 1.3683737342457645
Energy: 1.297781235486063
Energy: 1.3683737342385043
Energy: 1.640548469582265
Energy: 1.6627221902429363
Energy: 1.4121509775961714
Energy: 1.662722190240516
Energy: 1.640548469579845
Energy: 1.662722190240516
Energy: 1.4029211602781617
Energy: 1.659585023333347
Energy: 1.5257592873462542
Energy: 1.659585023329717
Energy: 1.4029211602793716
Energy: 1.659585023332137
Energy: 1.4030682320411465
Energy: 1.4777354292178153
Energy: 1.2768825834559898
Energy: 1.4777354292190255
Energy: 1.4030682320411465
Energy: 1.4777354292178153
Energy: 1.3184506704609125
Energy: 1.3089898848637724
Energy: 1.300706419420631
Energy: 1.3089898859317308
Energy: 1.3184506704609125
Energy: 1.3089898862474376
Energy: 1.398065708075994
Energy: 1.543013700041296
Energy: 1.6849981559756053
Energy: 1.5430137000449262
Energy: 1.3980657080433232
Energy: 1.5430137000449262
Energy: 1.3948187539112937
Energy: 1.4141593278056128
Energy: 1.6838685302658956
Energy: 1.4141593278080327
Energy: 1.3948187539137136
Energy: 1.4141593278092428
Energy: 1.3961588951444095
Energy: 1.3023388306892265
Energy: 1.3017807745219283
Energy: 1.3023394012609664
Energy: 1.3961588951419894
Energy: 1.3023396671623764
Energy: 1.3946257792835774
Energy: 1.4758291918906914
Energy: 1.3078277328448729
Energy: 1.4758291918955315
Energy: 1.3946257792787373
Energy: 1.4758291918943216
Energy: 1.3989369532757119
Energy: 1.3355949163973557
Energy: 1.3986707336084854
Energy: 1.3355949163973557
Energy: 1.3989369532793419
Energy: 1.3355949163985659
Energy: 1.3000207503691492
Energy: 1.4330612522567148
Energy: 1.396042729308363
Energy: 1.4330612522506647
Energy: 1.3000207503667291
Energy: 1.433061252254295
Energy: 1.2976246383027619
Energy: 1.422161796542795
Energy: 1.3968164868614503
Energy: 1.4221617958134791
Energy: 1.2976246382991867
Energy: 1.4221617968899076
Energy: 1.7541526681179207
Energy: 1.4411585893292174
Energy: 1.396035308168771
Energy: 1.4411585893292174
Energy: 1.7541526681191306
Energy: 1.4411585893280072
Energy: 1.7535614525173153
Energy: 1.597141173060609
Energy: 1.4030189023103246
Energy: 1.5971411732238525
Energy: 1.7535614525161052
Energy: 1.5971411730424587
Energy: 1.301933701485639
Energy: 1.3028749380915678
Energy: 1.2851127262449775
Energy: 1.3028749381339189
Energy: 1.301933701485639
Energy: 1.3028749379041236
Energy: 1.2763899683501796
Energy: 1.573154859272893
Energy: 1.4024854219620335
Energy: 1.573154859272893
Energy: 1.2763899683513895
Energy: 1.5731548592716829
Energy: 1.5452153505230541
Energy: 1.7979899387508458
Energy: 1.4028673333959887
Energy: 1.7979899387532658
Energy: 1.5452153507709996
Energy: 1.7979899387484257
Energy: 1.406034553176393
Energy: 1.7179519920294026
Energy: 1.599756644697837
Energy: 1.7179519920318227
Energy: 1.4060345531751828
Energy: 1.7179519920318227
Energy: 1.6023821714414241
Energy: 1.4763287982922568
Energy: 1.2846878131236614
Energy: 1.4763287982934667
Energy: 1.6023821714377944
Energy: 1.4763287982946767
Energy: 1.2911313170822591
Energy: 1.4041972977067874
Energy: 1.780568964595302
Energy: 1.4041972977092076
Energy: 1.291131317081049
Energy: 1.4041972977067874
Energy: 1.639582996634843
Energy: 1.7429946032745622
Energy: 1.3233978340933588
Energy: 1.7429946032757724
Energy: 1.639582996631213
Energy: 1.7429946032745622

minimum gb energy = 1.2763899683501796 eV
minimum distance =  2.19692435961638 Angstroms
sigma value = 33


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

Energy: 1.5364675626006878
Energy: 1.7890763768279503
Energy: 1.7599328177052507
Energy: 1.7890763768271827
Energy: 1.5364675625976174
Energy: 1.789076376822577
Energy: 1.7070154209782913
Energy: 1.5065523093902482
Energy: 1.2354069645718626
Energy: 1.506552309391016
Energy: 1.7070154209898054
Energy: 1.506552309391016
Energy: 1.2335501029964377
Energy: 1.323753807269782
Energy: 1.6153924770490051
Energy: 1.3237538072659438
Energy: 1.2335501029979727
Energy: 1.3237538072667114
Energy: 1.3081318708708976
Energy: 1.3524642434613285
Energy: 1.2417837640243274
Energy: 1.352464243512724
Energy: 1.3081318708701302
Energy: 1.3524642435626193
Energy: 1.4596276022434191
Energy: 1.5441216463955032
Energy: 1.4458906294451828
Energy: 1.544121646392433
Energy: 1.4596276022441868
Energy: 1.5441216463970384
Energy: 1.4593091353613408
Energy: 1.4708636639090265
Energy: 1.2377567684166388
Energy: 1.4708636639097938
Energy: 1.4593091353598056
Energy: 1.4708636639090265
Energy: 1.2293626920798784
Energy: 1.2483767641131447
Energy: 1.2478262477634179
Energy: 1.248376764122356
Energy: 1.229362692079146
Energy: 1.2483767641177503
Energy: 1.253221769686793
Energy: 1.2293905641236478
Energy: 1.4597960099494987
Energy: 1.229390564121345
Energy: 1.2532217696890957
Energy: 1.2293905641366971
Energy: 1.441268003329262
Energy: 1.4282779543594888
Energy: 1.455782445138126
Energy: 1.4282779543602564
Energy: 1.4412680033284946
Energy: 1.4282779543602564
Energy: 1.2367344118990369
Energy: 1.398415032881362
Energy: 1.2264181251742259
Energy: 1.3984150328798268
Energy: 1.2367344118998047
Energy: 1.424675119609374
Energy: 1.2244026822636676
Energy: 1.4411917996632504
Energy: 1.2532638146940465
Energy: 1.4411917996624826
Energy: 1.2244026822636676
Energy: 1.4411917996617147
Energy: 1.227572084151566
Energy: 1.2934405129684035
Energy: 1.722363688409512
Energy: 1.2934405129691708
Energy: 1.2275720841523337
Energy: 1.2934405129691708
Energy: 1.4685765774475077
Energy: 1.5582801300209652
Energy: 1.5271455545502703
Energy: 1.55828013001943
Energy: 1.4685765774498107
Energy: 1.55828013001943
Energy: 1.2352945593452807
Energy: 1.250010730413633
Energy: 1.2348669278829336
Energy: 1.250010730258644
Energy: 1.2352945593460483
Energy: 1.2500107300737178
Energy: 1.481223943011492
Energy: 1.3119759046606627
Energy: 1.2268769125489019
Energy: 1.311975904659895
Energy: 1.4812239430467673
Energy: 1.3119759046591275
Energy: 1.2419049419481933
Energy: 1.473901695009144
Energy: 1.6487465250112254
Energy: 1.4739016950068409
Energy: 1.2419049419481933
Energy: 1.4739016950076087
Energy: 1.7023761892350329
Energy: 1.7933130321917896
Energy: 1.506116043960338
Energy: 1.793313032191022
Energy: 1.7023761892334979
Energy: 1.7933130321917896
Energy: 1.2256976886869055
Energy: 1.2588954090931737
Energy: 1.6314738112202107
Energy: 1.258895409096244
Energy: 1.225697688687673
Energy: 1.258895409093941
Energy: 1.341804418271919
Energy: 1.2603869090786857
Energy: 1.229324591856933
Energy: 1.2603869090756152
Energy: 1.341804418271919
Energy: 1.260386909084059
Energy: 1.4609441871629074
Energy: 1.5443503445928088
Energy: 1.2493275275829872
Energy: 1.5443503445928088
Energy: 1.4609441871652102
Energy: 1.544350344593577
Energy: 1.7052592487513274
Energy: 1.4043548014204328
Energy: 1.2373363410232274
Energy: 1.404354801421968
Energy: 1.7052592487505598
Energy: 1.4043548014204328
Energy: 1.2338924343187316
Energy: 1.4456000942543576
Energy: 1.4457231539060467
Energy: 1.4456000942535903
Energy: 1.2338924343187316
Energy: 1.4456000942528227
Energy: 1.2478189558858985
Energy: 1.4435830614073275
Energy: 1.2287234035239214
Energy: 1.44358306140656
Energy: 1.2478189558843633
Energy: 1.4435830614057925
Energy: 1.51283056206099
Energy: 1.586538522960857
Energy: 1.2245765023382074
Energy: 1.5865385229600895
Energy: 1.512830562063293
Energy: 1.586538522962392
Energy: 1.7218630716784529
Energy: 1.2963976245165234
Energy: 1.224406719487911
Energy: 1.2963976245157554
Energy: 1.7218630716776853
Energy: 1.2963976245165234
Energy: 1.2604588492998037
Energy: 1.4506093097525652
Energy: 1.2332105192226361
Energy: 1.4506093097517976
Energy: 1.2604588492998037
Energy: 1.4506093097517976
Energy: 1.226776263485014
Energy: 1.4518196468757862
Energy: 1.441318625974377
Energy: 1.451819646874251
Energy: 1.226776263485014
Energy: 1.451819646874251
Energy: 1.458651782275196
Energy: 1.4237960466591686
Energy: 1.236768194970616
Energy: 1.4237960466568658
Energy: 1.4586517822736607
Energy: 1.4237960466576334
Energy: 1.4584103081122084
Energy: 1.2292055634783223
Energy: 1.2483263916210088
Energy: 1.2292055635159007
Energy: 1.4584103085395972
Energy: 1.22920556346297
Energy: 1.2515778273603448
Energy: 1.25705074802425
Energy: 1.2310566246488153
Energy: 1.25705074802425
Energy: 1.2515778273603448
Energy: 1.2570507480234823
Energy: 1.2293830957494452
Energy: 1.42377499840771
Energy: 1.7055474394174475
Energy: 1.4237749984092452
Energy: 1.2293830957517131
Energy: 1.4237749984092452
Energy: 1.4439784056145266
Energy: 1.7784461217666503
Energy: 1.4639584950057314
Energy: 1.7784461217712564
Energy: 1.4439784056122236
Energy: 1.7784461217812353
Energy: 1.2401941373284813
Energy: 1.4823547196044495
Energy: 1.7077205258672208
Energy: 1.4823547196052174
Energy: 1.2401941373292489
Energy: 1.4823547196067526
Energy: 1.71249420369628
Energy: 1.2988487078605844
Energy: 1.2334696524276572
Energy: 1.2988487078582815
Energy: 1.7124942036947448
Energy: 1.2988487078575137
Energy: 1.2317126628549728
Energy: 1.4979834121714266
Energy: 1.585517843499618
Energy: 1.4979834121706588
Energy: 1.2317126628542052
Energy: 1.4979834121698912
Energy: 1.4683877825315377
Energy: 1.5581098070867982
Energy: 1.5420149827605913
Energy: 1.5581098070921717
Energy: 1.4683877825323053
Energy: 1.558109807089869
Energy: 1.2289336228385417
Energy: 1.636753235328864
Energy: 1.7229468500958365
Energy: 1.6367532353280965
Energy: 1.228933622837774
Energy: 1.6367532353273289

minimum gb energy = 1.2244026822636676 eV
minimum distance =  2.18519080757565 Angstroms
sigma value = 41


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

Energy: 1.0832148436855504
Energy: 1.0584567985539575
Energy: 1.762661976854817
Energy: 1.0584567985539575
Energy: 1.083214843687646
Energy: 1.0584567985539575
Energy: 1.6327156099046685
Energy: 1.0551069493285257
Energy: 1.0536732502103676
Energy: 1.0551069493264298
Energy: 1.6327156099046685
Energy: 1.0551069493264298
Energy: 1.0838105589078162
Energy: 1.2443325303328174
Energy: 1.0556491717860619
Energy: 1.2443325303328174
Energy: 1.0838105589057203
Energy: 1.2443325303328174
Energy: 1.658946290333194
Energy: 1.0556097653620489
Energy: 1.053632166456813
Energy: 1.0556097653620489
Energy: 1.6589462903310983
Energy: 1.0556097653620489
Energy: 1.0808888990502736
Energy: 1.4558746397711446
Energy: 1.055873413291004
Energy: 1.4558746397711446
Energy: 1.0808888990502736
Energy: 1.4558746397690487
Energy: 1.0789369236615687
Energy: 1.0978383938014937
Energy: 1.0533599505040505
Energy: 1.0978383938035896
Energy: 1.0789369407915288
Energy: 1.0978383938035896
Energy: 1.6588798978591093
Energy: 1.0556137360130222
Energy: 1.0540033296014668
Energy: 1.0556137360151179
Energy: 1.6588798978591093
Energy: 1.0556137360151179
Energy: 1.0839170497482584
Energy: 1.0603956994832608
Energy: 1.0545204647376853
Energy: 1.0603956994874524
Energy: 1.0839170497545456
Energy: 1.0603956994895485
Energy: 1.6036404323833187
Energy: 1.1015767494256055
Energy: 1.0533556482497313
Energy: 1.1015767494235098
Energy: 1.6036404323833187
Energy: 1.1015767494235098
Energy: 1.0855933343010715
Energy: 1.4568192884531084
Energy: 1.0577224185084149
Energy: 1.4568192884531084
Energy: 1.0855933343010715
Energy: 1.4568192884531084
Energy: 1.6234682966152367
Energy: 1.0599725380210379
Energy: 1.061385617227498
Energy: 1.0599725380273255
Energy: 1.6234682966131408
Energy: 1.0599725380252294
Energy: 1.0958440305594583
Energy: 1.2439357716908932
Energy: 1.6721848514965016
Energy: 1.243935771688797
Energy: 1.0958440305573625
Energy: 1.243935771688797
Energy: 1.625027382142296
Energy: 1.0601205951661619
Energy: 1.0636752017311755
Energy: 1.0601205951619705
Energy: 1.625027382142296
Energy: 1.0601205951619705
Energy: 1.0855628903930872
Energy: 1.4532473343793484
Energy: 1.0577242169984087
Energy: 1.4532473343793484
Energy: 1.085562890395183
Energy: 1.4532473343793484

minimum gb energy = 1.0533556482497313 eV
minimum distance =  2.20779138168558 Angstroms
sigma value = 11


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

Energy: 1.605440314270257
Energy: 1.2846370469264685
Energy: 1.7252031827543073
Energy: 1.2846370469255481
Energy: 1.605440314273019
Energy: 1.2846370469273896
Energy: 1.576452785027156
Energy: 1.5860239566189203
Energy: 1.258296385494281
Energy: 1.5860239566179997
Energy: 1.5764527850336008
Energy: 1.5860239566170788
Energy: 1.2601044958652345
Energy: 1.3905502507984508
Energy: 1.2618322206379406
Energy: 1.3905502508002923
Energy: 1.2601044958652345
Energy: 1.3905502507993717
Energy: 1.285338198651509
Energy: 1.2964419823586508
Energy: 1.2624778219213846
Energy: 1.296441982352206
Energy: 1.285338198651509
Energy: 1.2964419823568096
Energy: 1.497744293817018
Energy: 1.469413561809506
Energy: 1.2840014377904292
Energy: 1.469413561809506
Energy: 1.497744293817018
Energy: 1.469413561809506
Energy: 1.2943334036366303
Energy: 1.4810803289563468
Energy: 1.4806178079584333
Energy: 1.4810803290833396
Energy: 1.2943334036375511
Energy: 1.4810803289719776
Energy: 1.2851903347194475
Energy: 1.5899269337326156
Energy: 1.3172816693537055
Energy: 1.5899269337326156
Energy: 1.2851903347038172
Energy: 1.5899269337326156
Energy: 1.260411640774298
Energy: 1.296947167205504
Energy: 1.370416182224238
Energy: 1.2969471672045831
Energy: 1.2604116407724564
Energy: 1.296947167205504
Energy: 1.5547147547948752
Energy: 1.3539180706355978
Energy: 1.2581921105236193
Energy: 1.353918070634677
Energy: 1.5547147547948752
Energy: 1.3539180706337564
Energy: 1.258447846055796
Energy: 1.479199448792172
Energy: 1.3612653698187667
Energy: 1.479199448792172
Energy: 1.2584478460576374
Energy: 1.479199448792172
Energy: 1.3698867329081659
Energy: 1.6115578074240673
Energy: 1.5452041706573416
Energy: 1.6115578074719221
Energy: 1.3698867329072455
Energy: 1.611557807325595
Energy: 1.2611392722557628
Energy: 1.4979021189612691
Energy: 1.478881789367933
Energy: 1.4979021189612691
Energy: 1.2611392722557628
Energy: 1.4979021189631105
Energy: 1.258910989780588
Energy: 1.39030304092898
Energy: 1.5006367626657657
Energy: 1.39030304092898
Energy: 1.258910989780588
Energy: 1.3903030409271386
Energy: 1.2775737391072461
Energy: 1.3618839057197676
Energy: 1.2770288587584888
Energy: 1.3618839057206882
Energy: 1.2775737391072461
Energy: 1.361883905721609
Energy: 1.259211230465054
Energy: 1.5380737558769737
Energy: 1.4811012120846552
Energy: 1.5380737558778945
Energy: 1.2592112304632126
Energy: 1.5380737558778945
Energy: 1.6275628118083783
Energy: 1.5721740304942058
Energy: 1.295934427415354
Energy: 1.5721740304951264
Energy: 1.6275628118074577
Energy: 1.5721740304942058
Energy: 1.3168838620445376
Energy: 1.5899200881806959
Energy: 1.4495526998656036
Energy: 1.5899200881816165
Energy: 1.3168838620445376
Energy: 1.5899200881816165
Energy: 1.4810394271235947
Energy: 1.5377278087455142
Energy: 1.261579781063923
Energy: 1.5377278087455142
Energy: 1.4810394271235947
Energy: 1.5377278087455142
Energy: 1.2799364465701235
Energy: 1.3906203016970526
Energy: 1.2745816650176431
Energy: 1.3906203017007355
Energy: 1.2799364465701235
Energy: 1.3906203016961318
Energy: 1.2576465378806314
Energy: 1.3914131847569209
Energy: 1.2573485552329489
Energy: 1.3914131847560003
Energy: 1.2576465378806314
Energy: 1.3914131847560003
Energy: 1.47860150987315
Energy: 1.4115124556270586
Energy: 1.2581075426910753
Energy: 1.4115124556279792
Energy: 1.4786015098749912
Energy: 1.4115124556279792
Energy: 1.5456139422275943
Energy: 1.6214409296620456
Energy: 1.4906180217000164
Energy: 1.6214409296611247
Energy: 1.5456139422275943
Energy: 1.6214409296620456
Energy: 1.5117863868788513
Energy: 1.4797615832627442
Energy: 1.28294963165769
Energy: 1.4797615832627442
Energy: 1.5117863868788513
Energy: 1.4797615832627442
Energy: 1.2579210793652247
Energy: 1.3620714633665438
Energy: 1.5566436705823872
Energy: 1.362071463365623
Energy: 1.2579210793661453
Energy: 1.3620714633647026
Energy: 1.3384152115758048
Energy: 1.2946788525694288
Energy: 1.2592570708077422
Energy: 1.29467885257127
Energy: 1.338415211577646
Energy: 1.2946788525703494
Energy: 1.2945842228520295
Energy: 1.4546901124084024
Energy: 1.2773881447415105
Energy: 1.4546901124074816
Energy: 1.2945842228520295
Energy: 1.4546901124084024
Energy: 1.4815634108863909
Energy: 1.4965501127978114
Energy: 1.4975441649758108
Energy: 1.4965501127978114
Energy: 1.4815634108863909
Energy: 1.496550112796891
Energy: 1.2763702576761315
Energy: 1.4565456099721195
Energy: 1.2945192675009074
Energy: 1.4565456099721195
Energy: 1.2763702576770521
Energy: 1.4565456099721195
Energy: 1.2623753118766534
Energy: 1.294314179392843
Energy: 1.277362044739819
Energy: 1.2943141793937638
Energy: 1.2623753118766534
Energy: 1.2943141793919224
Energy: 1.264100113851413
Energy: 1.391081426687285
Energy: 1.2603811685779869
Energy: 1.3910814266863643
Energy: 1.2641001138523336
Energy: 1.3910814266863643
Energy: 1.2586670294483333
Energy: 1.5900578782750163
Energy: 1.546129942320533
Energy: 1.590057878275937
Energy: 1.2586670294474125
Energy: 1.5900578782750163

minimum gb energy = 1.2573485552329489 eV
minimum distance =  2.18876932792117 Angstroms
sigma value = 57


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

Energy: 1.3692078611386205
Energy: 1.3722957907682205
Energy: 1.8215725856811644
Energy: 1.3722957907682205
Energy: 1.3692078611386205
Energy: 1.372295790769859
Energy: 1.3266463479432198
Energy: 1.3717702205021556
Energy: 1.3174079530921439
Energy: 1.3478688285830125
Energy: 1.3266463479432198
Energy: 1.3717702205037565
Energy: 1.3160498788227255
Energy: 1.3772845727490965
Energy: 1.3157379089374048
Energy: 1.3772845727490965
Energy: 1.3160498788260024
Energy: 1.3772845727490965
Energy: 1.3159238856947229
Energy: 1.4027644770474448
Energy: 1.3166354626342103
Energy: 1.4777789110327215
Energy: 1.3159238856963613
Energy: 1.4027644769180871
Energy: 1.3158375202986188
Energy: 1.37758877011621
Energy: 1.3169245512725944
Energy: 1.37758877011621
Energy: 1.3158375202969803
Energy: 1.3775887701178482
Energy: 1.3179043309501473
Energy: 1.3486117843141339
Energy: 1.3267894631395234
Energy: 1.3486117843141339
Energy: 1.3179043309517857
Energy: 1.348611784315772
Energy: 1.8215725856795262
Energy: 1.372295790769859
Energy: 1.369207861140259
Energy: 1.372295790769859
Energy: 1.8215725856795262
Energy: 1.3722957907682205
Energy: 1.3174079530921439
Energy: 1.4662981750053667
Energy: 1.3266463479448583
Energy: 1.4662981750070052
Energy: 1.3174079530921439
Energy: 1.4662981750070052
Energy: 1.3157379089374048
Energy: 1.3772845727490965
Energy: 1.3160498787997885
Energy: 1.3772845727490965
Energy: 1.3157379089374048
Energy: 1.3772845727490965
Energy: 1.3166354626358487
Energy: 1.4074540924455066
Energy: 1.3159238856947229
Energy: 1.4027644839518172
Energy: 1.3166354626342103
Energy: 1.407454092468444
Energy: 1.3169245512742327
Energy: 1.3775887701145713
Energy: 1.3158375202969803
Energy: 1.3775887701145713
Energy: 1.3169245512742327
Energy: 1.37758877011621
Energy: 1.3267894631427999
Energy: 1.3486117843141339
Energy: 1.3179043309468705
Energy: 1.3486117843141339
Energy: 1.3267894631427999
Energy: 1.3486117843141339
Energy: 1.3692078611386205
Energy: 1.3722957907682205
Energy: 1.6279277083031987
Energy: 1.3722957907682205
Energy: 1.3692078611386205
Energy: 1.3722957907682205
Energy: 1.3266463479448583
Energy: 1.3717702205037565
Energy: 1.3174079530937821
Energy: 1.3717702205021556
Energy: 1.3266463479448583
Energy: 1.3717702205021556
Energy: 1.3160498787948731
Energy: 1.3772845727507348
Energy: 1.3157379089374048
Energy: 1.3772845727490965
Energy: 1.3160498787915962
Energy: 1.3772845727490965
Energy: 1.3159238856963613
Energy: 1.4027644899194436
Energy: 1.3166354626342103
Energy: 1.4027644898899527
Energy: 1.3159238856947229
Energy: 1.40276448998658
Energy: 1.3158375202969803
Energy: 1.37758877011621
Energy: 1.3169245512742327
Energy: 1.37758877011621
Energy: 1.3158375202969803
Energy: 1.37758877011621

minimum gb energy = 1.3157379089374048 eV
minimum distance =  2.22036946333314 Angstroms
sigma value = 9


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

Energy: 1.4689635745241374
Energy: 1.4489777439672906
Energy: 1.4774004507562466
Energy: 1.4489777439659532
Energy: 1.4689635745241374
Energy: 1.4489777439646154
Energy: 1.3789720753633086
Energy: 1.4508635813187227
Energy: 1.3504829958006674
Energy: 1.4508635813160473
Energy: 1.3789720753659536
Energy: 1.450863581313372
Energy: 1.3547186196964263
Energy: 1.4249754605551173
Energy: 1.3521485623907799
Energy: 1.4249754605537797
Energy: 1.3547186196964263
Energy: 1.4249754605524723
Energy: 1.3537294162104359
Energy: 1.350794199530578
Energy: 1.387980050798554
Energy: 1.3507941995212445
Energy: 1.3537294162131115
Energy: 1.350794199522582
Energy: 1.380928636522542
Energy: 1.4497414990611246
Energy: 1.3532084160504558
Energy: 1.4497414990557733
Energy: 1.3809286365238795
Energy: 1.4497414990557733
Energy: 1.3584146298590836
Energy: 1.3545735385166875
Energy: 1.5713896925628166
Energy: 1.3545735385193627
Energy: 1.3584146298604214
Energy: 1.3545735385166875
Energy: 1.357418314745807
Energy: 1.423509072427693
Energy: 1.3539269329036472
Energy: 1.4235090724330441
Energy: 1.357418314745807
Energy: 1.4235090724343817
Energy: 1.4046118975302546
Energy: 1.4943374333564798
Energy: 1.3581820402423825
Energy: 1.4943374333578179
Energy: 1.4046118975302546
Energy: 1.4943374333591555
Energy: 1.4006267652287265
Energy: 1.4215103559144733
Energy: 1.3673735811097436
Energy: 1.4215103559171487
Energy: 1.4006267652287265
Energy: 1.4215103559171487
Energy: 1.3565755541917475
Energy: 1.465308033254691
Energy: 1.352317053726955
Energy: 1.4653080332533535
Energy: 1.3565755541930855
Energy: 1.4653080332560289
Energy: 1.3570312894492909
Energy: 1.3666695901266543
Energy: 1.3869916719281907
Energy: 1.3666695901320054
Energy: 1.3570312894492909
Energy: 1.3666695901320054
Energy: 1.3537946123032663
Energy: 1.4261709159476954
Energy: 1.4197258792483323
Energy: 1.4261709159463576
Energy: 1.3537946123019287
Energy: 1.4261709159463576
Energy: 1.356211833576669
Energy: 1.4280999975698474
Energy: 1.4078125374235133
Energy: 1.428099997576536
Energy: 1.3562118335793447
Energy: 1.428099997576536
Energy: 1.353963598140821
Energy: 1.3515221537534996
Energy: 1.3648617786645396
Energy: 1.351522153746811
Energy: 1.353963598140821
Energy: 1.351522153746811
Energy: 1.5486455688942626
Energy: 1.4648396330036153
Energy: 1.366195730653931
Energy: 1.4648396330022777
Energy: 1.5486455688942626
Energy: 1.4648396330022777
Energy: 1.4045781846587573
Energy: 1.4218697540000687
Energy: 1.3972720015516873
Energy: 1.4218697539960554
Energy: 1.4045781846574197
Energy: 1.4218697539960554
Energy: 1.402845117992689
Energy: 1.4214286701696084
Energy: 1.3752347033232033
Energy: 1.4214286701696084
Energy: 1.402845117992689
Energy: 1.4214286701696084
Energy: 1.4610927374399574
Energy: 1.4664409475182536
Energy: 1.3534108432530585
Energy: 1.4664409475222666
Energy: 1.4610927374399574
Energy: 1.4664409475209288
Energy: 1.3566193086413982
Energy: 1.353054155434446
Energy: 1.5824077589689352
Energy: 1.3530541554331081
Energy: 1.3566193086400606
Energy: 1.353054155434446
Energy: 1.3541704603839644
Energy: 1.4497844043996448
Energy: 1.3532205833107027
Energy: 1.44978440440232
Energy: 1.3541704603826268
Energy: 1.44978440440232
Energy: 1.3566079846128771
Energy: 1.3509233570619763
Energy: 1.3910698050887758
Energy: 1.3509233570593009
Energy: 1.3566079846128771
Energy: 1.3509233570579628

minimum gb energy = 1.3504829958006674 eV
minimum distance =  2.22219482862411 Angstroms
sigma value = 27


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

Energy: 1.4532655887478523
Energy: 1.5124350259155275
Energy: 1.5786865452236971
Energy: 1.5124350259155275
Energy: 1.4532655887478523
Energy: 1.5124350259155275
Energy: 1.3325728039943443
Energy: 1.448463524194183
Energy: 1.3515211707430048
Energy: 1.4484635241964383
Energy: 1.332572803995472
Energy: 1.4484635241930557
Energy: 1.3539015132895853
Energy: 1.4862614807049246
Energy: 1.350225988047064
Energy: 1.4862614807060521
Energy: 1.3539015132884578
Energy: 1.4862614807049246
Energy: 1.3567681012078914
Energy: 1.3671784247850345
Energy: 1.495673202545431
Energy: 1.3671784247861622
Energy: 1.356768101209019
Energy: 1.3671784247861622
Energy: 1.3324514133132757
Energy: 1.493234043643991
Energy: 1.3531050669471842
Energy: 1.4932340436451188
Energy: 1.3324514133132757
Energy: 1.493234043643991
Energy: 1.367298108195193
Energy: 1.3741059887365676
Energy: 1.3650428270858046
Energy: 1.3741059887365676
Energy: 1.3672981081940652
Energy: 1.374105988738823
Energy: 1.3580237675968898
Energy: 1.3857114460498856
Energy: 1.3533273837697255
Energy: 1.38571144604763
Energy: 1.358023767599145
Energy: 1.3857114460510132
Energy: 1.3410679432508266
Energy: 1.3857438498015042
Energy: 1.3527429201998094
Energy: 1.3857438498015042
Energy: 1.3410679432542092
Energy: 1.3857438498003767
Energy: 1.3989767624532998
Energy: 1.3654725531017995
Energy: 1.432346745373398
Energy: 1.3654725530995442
Energy: 1.3989767624544274
Energy: 1.3654725531040548
Energy: 1.3416162366658166
Energy: 1.4602193783974664
Energy: 1.4131973874505799
Energy: 1.4602193783997217
Energy: 1.3416162366646889
Energy: 1.4602193784008493
Energy: 1.3417136960091651
Energy: 1.4594402507228588
Energy: 1.4056694995623975
Energy: 1.4594402507228588
Energy: 1.3417136960091651
Energy: 1.4594402507251136
Energy: 1.3995605042204553
Energy: 1.3651270478686524
Energy: 1.4322026717555594
Energy: 1.3651270478945619
Energy: 1.3995605042182
Energy: 1.3651270478697801
Energy: 1.341043402846402
Energy: 1.385543988599717
Energy: 1.3521856483204537
Energy: 1.3855439885963599
Energy: 1.3410434028475298
Energy: 1.3855439885941043
Energy: 1.3581213388782778
Energy: 1.3851628995079976
Energy: 1.3534916141172857
Energy: 1.3851628995102527
Energy: 1.3581213388782778
Energy: 1.3851628995102527
Energy: 1.367288206422907
Energy: 1.374997758270263
Energy: 1.3650065942600447
Energy: 1.3749977582713904
Energy: 1.3672882064240348
Energy: 1.3749977582725181
Energy: 1.332655366345456
Energy: 1.4932340436417357
Energy: 1.3531283906462197
Energy: 1.493234043643991
Energy: 1.3326553663465834
Energy: 1.4932340436428635
Energy: 1.3568376458958626
Energy: 1.366835252206703
Energy: 1.3769832253824807
Energy: 1.366835252206703
Energy: 1.3568376458947349
Energy: 1.366835252206703
Energy: 1.3531311600100173
Energy: 1.4861424147348172
Energy: 1.3499472525963339
Energy: 1.4861424147336895
Energy: 1.3531311600111449
Energy: 1.4861424147370723
Energy: 1.3323252347896641
Energy: 1.4489772035004922
Energy: 1.3504218822021625
Energy: 1.4489772034283506
Energy: 1.3323252347896641
Energy: 1.4489772034238402
Energy: 1.4532655887489798
Energy: 1.5124350259155275
Energy: 1.4601666082664233
Energy: 1.5124350259155275
Energy: 1.453265588746725
Energy: 1.5124350259155275
Energy: 1.3325728039943443
Energy: 1.448463524197566
Energy: 1.351521170741877
Energy: 1.448463524194183
Energy: 1.332572803995472
Energy: 1.448463524194183
Energy: 1.3539015132895853
Energy: 1.4862614807049246
Energy: 1.3502259880459364
Energy: 1.4862614807049246
Energy: 1.3539015132895853
Energy: 1.4862614807049246
Energy: 1.356768101209019
Energy: 1.3671784247850345
Energy: 1.3467485383643942
Energy: 1.3671784247850345
Energy: 1.3567681012078914
Energy: 1.3671784247861622
Energy: 1.332451413314403
Energy: 1.493234043643991
Energy: 1.3531050669471842
Energy: 1.4932340436451188
Energy: 1.332451413314403
Energy: 1.4932340436451188
Energy: 1.367298108195193
Energy: 1.3741059887376954
Energy: 1.3650428270846768
Energy: 1.3741059887376954
Energy: 1.3672981081963205
Energy: 1.3741059887365676

minimum gb energy = 1.3323252347896641 eV
minimum distance =  2.22794703903446 Angstroms
sigma value = 19


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

Energy: 1.5383758973804167
Energy: 1.323211291472166
Energy: 1.5685238665155705
Energy: 1.323211291472166
Energy: 1.5383758973794435
Energy: 1.323211291472166
Energy: 1.3869964702849136
Energy: 1.416073764714295
Energy: 1.2869818648757958
Energy: 1.416073764714295
Energy: 1.3869964702849136
Energy: 1.4160737647133215
Energy: 1.289136780428692
Energy: 1.4136608954356051
Energy: 1.287078100078828
Energy: 1.4136608954356051
Energy: 1.289136780427719
Energy: 1.4136608954356051
Energy: 1.3218567939428143
Energy: 1.4315679248280337
Energy: 1.3456472832653157
Energy: 1.4315679248270605
Energy: 1.3218567939437875
Energy: 1.4315679248270605
Energy: 1.314310768224206
Energy: 1.3341107987294187
Energy: 1.3151720907222186
Energy: 1.3341107987303924
Energy: 1.314310768222259
Energy: 1.3341107987294187
Energy: 1.3028247788579332
Energy: 1.3867054230354638
Energy: 1.3160636650352424
Energy: 1.3867054230354638
Energy: 1.3028247788579332
Energy: 1.3867054230354638
Energy: 1.300976697110368
Energy: 1.3789111788751198
Energy: 1.3028308369700263
Energy: 1.3789111788751198
Energy: 1.300976697110368
Energy: 1.3789111788760933
Energy: 1.296803431699636
Energy: 1.338674271695173
Energy: 1.3162425388913326
Energy: 1.3386742716941997
Energy: 1.296803431699636
Energy: 1.3386742716932263
Energy: 1.321843040875498
Energy: 1.3901538711968626
Energy: 1.3366658435548704
Energy: 1.3901538711978358
Energy: 1.3218430408745245
Energy: 1.3901538711978358
Energy: 1.3136090656009616
Energy: 1.4979022460451998
Energy: 1.287213226050168
Energy: 1.4979022460432532
Energy: 1.3136090656009616
Energy: 1.4979022460432532
Energy: 1.2876889381376364
Energy: 1.4285278757150004
Energy: 1.3298700194623272
Energy: 1.4285278757130537
Energy: 1.2876889381386094
Energy: 1.4285278757130537
Energy: 1.313334775218874
Energy: 1.4720911505775933
Energy: 1.3334301467529381
Energy: 1.4720911505775933
Energy: 1.313334775218874
Energy: 1.4720911505785665
Energy: 1.3135903409540926
Energy: 1.453662981839509
Energy: 1.3310147197970408
Energy: 1.4536629818375622
Energy: 1.3135903409540926
Energy: 1.4536629818288023
Energy: 1.3080223862396085
Energy: 1.4295409473277008
Energy: 1.4259380142300035
Energy: 1.4295409473257543
Energy: 1.3080223862386353
Energy: 1.4295409473257543
Energy: 1.3215503654853746
Energy: 1.4571334500163569
Energy: 1.3337706363947206
Energy: 1.45713345001733
Energy: 1.3215503654853746
Energy: 1.45713345001733
Energy: 1.3229949858560408
Energy: 1.3338412830910502
Energy: 1.2727932831220057
Energy: 1.3338412830910502
Energy: 1.3229949858560408
Energy: 1.3338412830910502
Energy: 1.2892475546559568
Energy: 1.3380540767118867
Energy: 1.3043731638289298
Energy: 1.3380540767089668
Energy: 1.289247554654983
Energy: 1.3380540767089668
Energy: 1.2992732904315352
Energy: 1.4491279095782563
Energy: 1.2708285208814083
Energy: 1.449127909577283
Energy: 1.2992732904315352
Energy: 1.449127909577283
Energy: 1.289464553466613
Energy: 1.3380798276660792
Energy: 1.3044682004315802
Energy: 1.3380798276660792
Energy: 1.2894645534675861
Energy: 1.3380798276660792
Energy: 1.322990310137252
Energy: 1.3903969487604009
Energy: 1.3031671768789663
Energy: 1.3903969487613745
Energy: 1.322990310137252
Energy: 1.3903969487613745
Energy: 1.3215580659901016
Energy: 1.4323350919126474
Energy: 1.28737236832764
Energy: 1.4323350919136209
Energy: 1.3215580659901016
Energy: 1.4323350919126474
Energy: 1.3109278968141393
Energy: 1.3957056455500512
Energy: 1.4269390820638612
Energy: 1.3957056455481043
Energy: 1.310927896813166
Energy: 1.3957056455481043
Energy: 1.3848558602854153
Energy: 1.4758881507600907
Energy: 1.2877146713485246
Energy: 1.4758881508972883
Energy: 1.3848558602844416
Energy: 1.4758881508038915
Energy: 1.342582189104462
Energy: 1.4615244656423971
Energy: 1.2874923496481907
Energy: 1.4615244656511572
Energy: 1.3425821891034888
Energy: 1.4615244656453172
Energy: 1.3929599991134396
Energy: 1.4294514281525161
Energy: 1.286975667171126
Energy: 1.4294514281525161
Energy: 1.3929599991134396
Energy: 1.4294514281525161
Energy: 1.3222299646921294
Energy: 1.4993789150447538
Energy: 1.2884205140962144
Energy: 1.4993789150447538
Energy: 1.3222299646931028
Energy: 1.4993789150447538
Energy: 1.3221016802397898
Energy: 1.4038963005177327
Energy: 1.3338055681669292
Energy: 1.4038963005196794
Energy: 1.3221016802397898
Energy: 1.4038963005196794
Energy: 1.2956965703848968
Energy: 1.3384689064962692
Energy: 1.3159382137098974
Energy: 1.338468906493349
Energy: 1.2956965703848968
Energy: 1.3384689064943225
Energy: 1.3012141080074187
Energy: 1.3715170592032746
Energy: 1.3103730007501369
Energy: 1.3715170592013277
Energy: 1.3012141080074187
Energy: 1.3715170592013277

minimum gb energy = 1.2708285208814083 eV
minimum distance =  2.2088600296097 Angstroms
sigma value = 101


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

Energy: 1.4628649530058166
Energy: 1.3426692304655745
Energy: 1.4798016031370325
Energy: 1.3426692304681025
Energy: 1.462864953002394
Energy: 1.3426692304672467
Energy: 1.2469072441929
Energy: 1.3456722979384406
Energy: 1.2484446275636087
Energy: 1.3456722980402203
Energy: 1.246907244191189
Energy: 1.3456722978931317
Energy: 1.2313288643606437
Energy: 1.3536033423537124
Energy: 1.246851993917652
Energy: 1.3536033423554237
Energy: 1.2313288643597882
Energy: 1.3536033423554237
Energy: 1.2647958188488133
Energy: 1.3428529378407221
Energy: 1.2550018119566482
Energy: 1.3100106132059501
Energy: 1.2647958188539472
Energy: 1.3428529378450003
Energy: 1.2202279474024729
Energy: 1.2929783705412359
Energy: 1.2403399257881274
Energy: 1.2929783705420916
Energy: 1.2202279474024729
Energy: 1.2929783705412359
Energy: 1.2341401854823626
Energy: 1.3585691713309747
Energy: 1.2193926014049057
Energy: 1.3585691713309747
Energy: 1.234140185480651
Energy: 1.3585691713309747
Energy: 1.231540766740698
Energy: 1.367017090840343
Energy: 1.2200918297570336
Energy: 1.3670170907633372
Energy: 1.2315407667424088
Energy: 1.367017090851427
Energy: 1.230915628320068
Energy: 1.367851331902768
Energy: 1.231011800137741
Energy: 1.3485527613808819
Energy: 1.2309156283209235
Energy: 1.367851331902768
Energy: 1.2199053172318044
Energy: 1.3331890053071103
Energy: 1.2315943126170348
Energy: 1.3331890053036877
Energy: 1.219905317234371
Energy: 1.3331890053045434
Energy: 1.2194759243843876
Energy: 1.321192191843361
Energy: 1.2201791488750504
Energy: 1.3211921918425054
Energy: 1.2194759243843876
Energy: 1.3211921918356606
Energy: 1.2556517239275162
Energy: 1.3131009629764412
Energy: 1.2994658926023523
Energy: 1.3131009629815749
Energy: 1.2556517239275162
Energy: 1.3131009629849975
Energy: 1.2481746502775148
Energy: 1.352749810670536
Energy: 1.2193730032627628
Energy: 1.3527498106611244
Energy: 1.2481746502783706
Energy: 1.3527498106731028
Energy: 1.2740265647398972
Energy: 1.354035447146644
Energy: 1.264233370702781
Energy: 1.3540354471457885
Energy: 1.2740265647424642
Energy: 1.3540354471457885
Energy: 1.2711710053789838
Energy: 1.249704398800975
Energy: 1.2463900939991885
Energy: 1.2835465858254356
Energy: 1.2711710053789838
Energy: 1.2497043988078202
Energy: 1.2194400727310866
Energy: 1.5363421346430013
Energy: 1.24701344344902
Energy: 1.5363421346447124
Energy: 1.2194400727302313
Energy: 1.5363421346447124
Energy: 1.2915429706095183
Energy: 1.3538111048305645
Energy: 1.230417869952597
Energy: 1.3538111048331316
Energy: 1.2915429706112294
Energy: 1.3538111048322758
Energy: 1.220405535245255
Energy: 1.3620542731179213
Energy: 1.264471668495807
Energy: 1.3620542731196326
Energy: 1.2204055352469663
Energy: 1.3620542731187772
Energy: 1.231092338545726
Energy: 1.2935461457866693
Energy: 1.2200794081821422
Energy: 1.2935461457866693
Energy: 1.231092338545726
Energy: 1.2935461457883806
Energy: 1.229518898693734
Energy: 1.3199021406957545
Energy: 1.2331384899291293
Energy: 1.3199021406966103
Energy: 1.2295188986945895
Energy: 1.3199021406974658
Energy: 1.2201474229895977
Energy: 1.439374692233313
Energy: 1.2195624767856992
Energy: 1.439374692233313
Energy: 1.2201474229887423
Energy: 1.439374692233313
Energy: 1.2420391563504838
Energy: 1.292784035965495
Energy: 1.2318024472353601
Energy: 1.292784035965495
Energy: 1.2420391563487725
Energy: 1.2927840359646394
Energy: 1.2195893307405647
Energy: 1.318983547153254
Energy: 1.219436030270289
Energy: 1.3189835471652325
Energy: 1.2195893307405647
Energy: 1.3189835471720774
Energy: 1.2435212008257006
Energy: 1.320368322484394
Energy: 1.2199160886795164
Energy: 1.3203683224818272
Energy: 1.2435212008239895
Energy: 1.320368322482683
Energy: 1.2642412417370332
Energy: 1.3634231485540425
Energy: 1.2783062545289683
Energy: 1.3634231485531865
Energy: 1.2642412417370332
Energy: 1.3634231485531865
Energy: 1.2201835743850507
Energy: 1.4656065307229307
Energy: 1.219558299749766
Energy: 1.4656065307229307
Energy: 1.220183574384195
Energy: 1.4656065307229307
Energy: 1.2455260970488613
Energy: 1.3534522140607927
Energy: 1.290878610388596
Energy: 1.3534522140616483
Energy: 1.2455260970488613
Energy: 1.3534522140616483
Energy: 1.2465652115867558
Energy: 1.4132178299871463
Energy: 1.2196537505854599
Energy: 1.4132178179898653
Energy: 1.246565211588467
Energy: 1.4132178085446205
Energy: 1.2476377689948828
Energy: 1.546787048859187
Energy: 1.2200479797690038
Energy: 1.5467870488574758
Energy: 1.2476377689948828
Energy: 1.5467870488574758
Energy: 1.3343261791349017
Energy: 1.4242337537823093
Energy: 1.3536783277800442
Energy: 1.4242337537814538
Energy: 1.3343261791340462
Energy: 1.4242337537823093
Energy: 1.2195452922828791
Energy: 1.393370465536856
Energy: 1.2200548908301405
Energy: 1.393370465537712
Energy: 1.2195452922828791
Energy: 1.393370465537712
Energy: 1.264075861064422
Energy: 1.363379181990202
Energy: 1.23227913063298
Energy: 1.3633791819884908
Energy: 1.264075861064422
Energy: 1.3633791819893462
Energy: 1.245458949581974
Energy: 1.3198932314887921
Energy: 1.2193642724285807
Energy: 1.3198932314879366
Energy: 1.2454589495811186
Energy: 1.3198932314887921
Energy: 1.2200711119585688
Energy: 1.4190735377371428
Energy: 1.2434756486076346
Energy: 1.4190735377345762
Energy: 1.2200711119585688
Energy: 1.4190735377371428

minimum gb energy = 1.2193642724285807 eV
minimum distance =  2.23205865558745 Angstroms
sigma value = 33


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

Energy: 0.014073969515695582
Energy: 0.015234147637255075
Energy: 1.3783932157957537
Energy: 0.015234147637255075
Energy: 0.014073969515695582
Energy: 0.015234147637255075
Energy: 0.014175792444329802
Energy: 0.665713710163821
Energy: 0.014175792444329802
Energy: 0.6657137101645122
Energy: 0.014175792444329802
Energy: 0.6657137101645122
Energy: 1.3783932157950427
Energy: 0.015234147637965982
Energy: 0.014073969515695582
Energy: 0.015234147638676887
Energy: 1.3783932157957537
Energy: 0.015234147637255075
Energy: 0.014175792444329802
Energy: 0.665713710163821
Energy: 0.014175792443618896
Energy: 0.6657137101645122
Energy: 0.014175792444329802
Energy: 0.6657137101645122

minimum gb energy = 0.014073969515695582 eV
minimum distance =  2.41049176343447 Angstroms
sigma value = 1