Model name: model_name=EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5199998259544394
cohesive_energy=4.45034998140762
mass=58.6934
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: 0.01815894190278167
Energy: 1.1316440996863306
Energy: 0.018158941904067975
Energy: 1.1316440996850075
Energy: 0.018158941903737208
Energy: 1.1316440996856691
Energy: 1.1316440996850075
Energy: 1.1560061139137736
Energy: 1.1316440996863306
Energy: 1.1560061139131124
Energy: 1.1316440996856691
Energy: 1.1560061139137736
Energy: 0.018158941902450904
Energy: 1.1316440996856691
Energy: 0.018158941903737208
Energy: 1.1316440996863306
Energy: 0.018158941903737208
Energy: 1.131644099687286
Energy: 1.131644099686
Energy: 1.1560061139131124
Energy: 1.1316440996847135
Energy: 1.1560061139131124
Energy: 1.1316440996856691
Energy: 1.156006113913443
Energy: 0.018158941903112433
Energy: 1.131644099685338
Energy: 0.018158941903406448
Energy: 1.1316440996856691
Energy: 0.018158941904067975
Energy: 1.1316440996856691
Energy: 1.1316440996850075
Energy: 1.1560061139121567
Energy: 1.131644099686
Energy: 1.156006113913443
Energy: 1.1316440996863306
Energy: 1.1560061139124875

minimum gb energy = 0.018158941902450904 eV
minimum distance =  2.32938408827556 Angstroms
sigma value = 1


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

Energy: 1.3815265209665812
Energy: 1.3074201493357678
Energy: 1.3815265209665812
Energy: 1.3074201493357678
Energy: 1.3815265209665812
Energy: 1.3074201493373603
Energy: 1.5298281198445085
Energy: 1.2122412437638599
Energy: 1.5298281198421197
Energy: 1.2122412437646561
Energy: 1.529828119843712
Energy: 1.2122412437638599
Energy: 1.3555071685598448
Energy: 1.3773074950611928
Energy: 1.3555071685590487
Energy: 1.3773074950619888
Energy: 1.3555071685590487
Energy: 1.3773074950643778
Energy: 1.4632989448759404
Energy: 1.2761861957440042
Energy: 1.4632989448743479
Energy: 1.2761861957448004
Energy: 1.4632989448751441
Energy: 1.2761861957448004
Energy: 1.3187387783446947
Energy: 1.3863460859141297
Energy: 1.3187387783454907
Energy: 1.3863460859173145
Energy: 1.3187387783462867
Energy: 1.3863460859165184
Energy: 1.3845612257102906
Energy: 1.240047983442987
Energy: 1.3845612257102906
Energy: 1.2400479834453753
Energy: 1.3845612257102906
Energy: 1.2400479834469678
Energy: 1.3090018152105707
Energy: 1.3581642180176805
Energy: 1.3090018152097744
Energy: 1.3581642180176805
Energy: 1.3090018152105707
Energy: 1.3581642180152922
Energy: 1.2724392882493767
Energy: 1.4616115844535023
Energy: 1.272439288250969
Energy: 1.4616115844542983
Energy: 1.2724392882525613
Energy: 1.4616115844542983
Energy: 1.4144477267987068
Energy: 1.3683114600500657
Energy: 1.4144477267979108
Energy: 1.3683114600500657
Energy: 1.4144477267979108
Energy: 1.3683114600492694
Energy: 1.1969987253162193
Energy: 1.446323351048176
Energy: 1.1969987253162193
Energy: 1.44632335104738
Energy: 1.1969987253162193
Energy: 1.446323351046584
Energy: 1.6107563897311743
Energy: 1.239491996202344
Energy: 1.610756389730378
Energy: 1.2394919962031405
Energy: 1.6107563897327666
Energy: 1.239491996202344
Energy: 1.172402980208403
Energy: 1.4141834591957942
Energy: 1.1724029802076068
Energy: 1.414183459198979
Energy: 1.1724029802099956
Energy: 1.4141834591918134
Energy: 1.4959533382348713
Energy: 1.1618078548588473
Energy: 1.4959533382388523
Energy: 1.1618078548596436
Energy: 1.4959533382372598
Energy: 1.1618078548596436
Energy: 1.2587675054710625
Energy: 1.2921790371183182
Energy: 1.258767505473451
Energy: 1.292179037117522
Energy: 1.258767505473451
Energy: 1.292179037117522
Energy: 1.541130242157284
Energy: 1.2083860253641325
Energy: 1.5411302421620607
Energy: 1.2083860253633365
Energy: 1.54113024215808
Energy: 1.2083860253625405
Energy: 1.539265439217723
Energy: 1.3868836469159618
Energy: 1.5392654392153347
Energy: 1.3868836469143695
Energy: 1.5392654392193155
Energy: 1.3868836469151655
Energy: 1.3463510894167292
Energy: 1.338752761049452
Energy: 1.3463510894175255
Energy: 1.338752761049452
Energy: 1.3463510894127482
Energy: 1.3387527610502479
Energy: 1.3460163577495696
Energy: 1.280274227418557
Energy: 1.3460163577455888
Energy: 1.2802742274161683
Energy: 1.3460163577495696
Energy: 1.2802742274137797
Energy: 1.2004452051290844
Energy: 1.2767646604875735
Energy: 1.2004452051266956
Energy: 1.2767646604883698
Energy: 1.2004452051274919
Energy: 1.2767646604867773
Energy: 1.3891609602920336
Energy: 1.240338366029046
Energy: 1.3891609602944222
Energy: 1.240338366029842
Energy: 1.389160960289645
Energy: 1.240338366029046
Energy: 1.2259713398616003
Energy: 1.472686205259254
Energy: 1.2259713398600078
Energy: 1.4726862052624385
Energy: 1.2259713398608039
Energy: 1.4726862052656235
Energy: 1.3981293923004445
Energy: 1.3611162041361924
Energy: 1.3981293923004445
Energy: 1.3611162041353961
Energy: 1.3981293922996483
Energy: 1.3611162041361924
Energy: 1.1557492266612228
Energy: 1.4781427155890583
Energy: 1.155749226662815
Energy: 1.4781427155906506
Energy: 1.1557492266636114
Energy: 1.4781427155898543

minimum gb energy = 1.1557492266612228 eV
minimum distance =  2.25719157625319 Angstroms
sigma value = 33


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

Energy: 1.4562039159847817
Energy: 1.4372378269548731
Energy: 1.4562039159870461
Energy: 1.4372378269557786
Energy: 1.4562039159856877
Energy: 1.4372378269566846
Energy: 1.435558174207992
Energy: 1.285479148764129
Energy: 1.435558174208445
Energy: 1.2854791487632231
Energy: 1.4355581742088976
Energy: 1.285479148763676
Energy: 1.2095072285019695
Energy: 1.2860534302491087
Energy: 1.209507228499705
Energy: 1.2860534302441269
Energy: 1.2095072284987995
Energy: 1.2860534302472972
Energy: 1.4117033227763582
Energy: 1.4179871156121044
Energy: 1.41170332277817
Energy: 1.4179871156130102
Energy: 1.4117033227768112
Energy: 1.4179871156130102
Energy: 1.3168393771865308
Energy: 1.3427065871124908
Energy: 1.3168393771892477
Energy: 1.3427065871138495
Energy: 1.3168393771860778
Energy: 1.3427065871143022
Energy: 1.2647522432129135
Energy: 1.205808634255707
Energy: 1.2647522432115548
Energy: 1.20580863425616
Energy: 1.2647522432151779
Energy: 1.2058086342538956
Energy: 1.4439954296826316
Energy: 1.381479353033237
Energy: 1.4439954296853488
Energy: 1.38147935303369
Energy: 1.4439954296858017
Energy: 1.3814793530314255
Energy: 1.1757309850639492
Energy: 1.4602138521207348
Energy: 1.175730985064402
Energy: 1.4602138521234522
Energy: 1.1757309850666664
Energy: 1.4602138521216406
Energy: 1.232207011476762
Energy: 1.2083519787221342
Energy: 1.232207011477215
Energy: 1.208351978722587
Energy: 1.2322070114754036
Energy: 1.2083519787221342
Energy: 1.184286829803761
Energy: 1.4524387670107446
Energy: 1.1842868298046667
Energy: 1.4524387670152734
Energy: 1.1842868298046667
Energy: 1.4524387670152734
Energy: 1.2727498095037302
Energy: 1.186535563336836
Energy: 1.2727498095041831
Energy: 1.1865355633372887
Energy: 1.2727498094973904
Energy: 1.1865355633372887
Energy: 1.2056778204581309
Energy: 1.2772099543905322
Energy: 1.2056778204594896
Energy: 1.2772099543878148
Energy: 1.2056778204581309
Energy: 1.2772099543913966
Energy: 1.3839000175297294
Energy: 1.1782569315424205
Energy: 1.383900017530182
Energy: 1.1782569315428735
Energy: 1.3839000175288236
Energy: 1.1782569315433262
Energy: 1.3812464445499602
Energy: 1.442788948552666
Energy: 1.3812464445486428
Energy: 1.442788948553119
Energy: 1.381246444547737
Energy: 1.4427889485535716
Energy: 1.337151384248369
Energy: 1.287784961971794
Energy: 1.337151384248369
Energy: 1.287784961971794
Energy: 1.3371513842470104
Energy: 1.2877849619736055
Energy: 1.2059620767338688
Energy: 1.288658099028866
Energy: 1.2059620767365862
Energy: 1.2886580990315832
Energy: 1.2059620767365862
Energy: 1.288658099029319
Energy: 1.41134504849019
Energy: 1.4184244565807957
Energy: 1.4113450484879255
Energy: 1.4184244565817017
Energy: 1.4113450484883783
Energy: 1.4184244565812487
Energy: 1.3160164429024577
Energy: 1.2056828186476227
Energy: 1.3160164429065335
Energy: 1.2056828186476227
Energy: 1.3160164429038161
Energy: 1.2056828186489814
Energy: 1.2667653574510365
Energy: 1.27037364432535
Energy: 1.2667653574514894
Energy: 1.270373644324897
Energy: 1.2667653574537538
Energy: 1.27037364432535
Energy: 1.4385426679334505
Energy: 1.3849228308888812
Energy: 1.4385426679311861
Energy: 1.3849228308893342
Energy: 1.4385426679325448
Energy: 1.3849228308893342
Energy: 1.17326523296042
Energy: 1.4377322430111967
Energy: 1.1732652329608728
Energy: 1.4377322430075736
Energy: 1.17326523296042
Energy: 1.4377322430053094
Energy: 1.287558924725854
Energy: 1.209371990998283
Energy: 1.2875589247208727
Energy: 1.209371990997377
Energy: 1.287558924716344
Energy: 1.209371990998283
Energy: 1.183617645129849
Energy: 1.451382912282103
Energy: 1.1836176451289435
Energy: 1.45138291227848
Energy: 1.183617645129396
Energy: 1.4513829122762156
Energy: 1.3685675105723074
Energy: 1.3190998395097984
Energy: 1.3685675105781947
Energy: 1.3190998395116098
Energy: 1.3685675105686845
Energy: 1.3190998395116098
Energy: 1.2093897752941218
Energy: 1.2651901721314533
Energy: 1.2093897752936689
Energy: 1.2651901721314533
Energy: 1.2093897752941218
Energy: 1.265190172129642
Energy: 1.461179427428621
Energy: 1.4125237989192783
Energy: 1.4611794274254506
Energy: 1.4125237989215427
Energy: 1.4611794274200163
Energy: 1.4125237989210897
Energy: 1.4600992484966895
Energy: 1.4090926505138905
Energy: 1.4600992484975952
Energy: 1.409092650516155
Energy: 1.4600992484944253
Energy: 1.4090926505157022
Energy: 1.2060854415406745
Energy: 1.2306765499440169
Energy: 1.20608544154158
Energy: 1.230676549943564
Energy: 1.2060854415402216
Energy: 1.2306765499449226
Energy: 1.4562076705378248
Energy: 1.284751013785532
Energy: 1.4562076705355604
Energy: 1.2847510137864377
Energy: 1.4562076705387306
Energy: 1.2847510137864377
Energy: 1.1837262611969843
Energy: 1.2708970325837161
Energy: 1.1837262611992487
Energy: 1.2708970321554653
Energy: 1.183726261198343
Energy: 1.2708970314877701
Energy: 1.3545112601295912
Energy: 1.2083983530915898
Energy: 1.3545112601300442
Energy: 1.2083983530906839
Energy: 1.3545112601295912
Energy: 1.2083983530911369
Energy: 1.1762863201728937
Energy: 1.3974820393722767
Energy: 1.1762863201728937
Energy: 1.397482039384051
Energy: 1.176286320172441
Energy: 1.3974820393727296
Energy: 1.4376011998246652
Energy: 1.3848995044210233
Energy: 1.4376011998228537
Energy: 1.3848995044210233
Energy: 1.437601199825118
Energy: 1.3848995044210233
Energy: 1.2894603129091406
Energy: 1.336049102596325
Energy: 1.2894603129100464
Energy: 1.3360491025976837
Energy: 1.289460312908235
Energy: 1.3360491025976837
Energy: 1.2856582617331016
Energy: 1.2063587710171269
Energy: 1.2856582617349133
Energy: 1.2063587710162211
Energy: 1.2856582617367247
Energy: 1.2063587710180326
Energy: 1.4238204348703718
Energy: 1.4092370398987566
Energy: 1.4238204348712775
Energy: 1.4092370398987566
Energy: 1.423820434869466
Energy: 1.409237039900568
Energy: 1.2061707662381376
Energy: 1.3169336173667738
Energy: 1.2061707662413077
Energy: 1.3169336173726611
Energy: 1.2061707662385905
Energy: 1.3169336173798658
Energy: 1.2708149770396535
Energy: 1.2645918945378476
Energy: 1.2708149770392005
Energy: 1.264591894532866
Energy: 1.2708149770401065
Energy: 1.2645918945378476
Energy: 1.3813409232488587
Energy: 1.4435509786370686
Energy: 1.3813409232465945
Energy: 1.4435509786366156
Energy: 1.3813409232475002
Energy: 1.4435509786366156
Energy: 1.4606315227899058
Energy: 1.1733599783783288
Energy: 1.4606315227835656
Energy: 1.1733599783792346
Energy: 1.4606315227813014
Energy: 1.1733599783787818
Energy: 1.2057596915331508
Energy: 1.2293574267070448
Energy: 1.2057596915322453
Energy: 1.229357426706139
Energy: 1.2057596915313393
Energy: 1.2293574267065919

minimum gb energy = 1.17326523296042 eV
minimum distance =  2.35046723660299 Angstroms
sigma value = 51


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

Energy: 1.353538509635546
Energy: 1.3777201128644163
Energy: 1.353538509636595
Energy: 1.377720112863367
Energy: 1.353538509636595
Energy: 1.377720112863367
Energy: 1.4604354353962532
Energy: 1.2914843476556088
Energy: 1.4604354353952036
Energy: 1.2914843476556088
Energy: 1.4604354353941544
Energy: 1.2914843476545592
Energy: 1.251826079402855
Energy: 1.3703083930193836
Energy: 1.2518260794039044
Energy: 1.370308393021482
Energy: 1.251826079402855
Energy: 1.370308393021482
Energy: 1.3509898346575027
Energy: 1.1929664020517943
Energy: 1.350989834655404
Energy: 1.1929664020528437
Energy: 1.3509898346596014
Energy: 1.1929664020517943
Energy: 1.370389948048164
Energy: 1.3138002823928132
Energy: 1.3703899480460655
Energy: 1.3138002823928132
Energy: 1.3703899480502626
Energy: 1.3138002823938624
Energy: 1.3711955391674124
Energy: 1.3135980805553202
Energy: 1.371195539169511
Energy: 1.3135980805521723
Energy: 1.3711955391716093
Energy: 1.3135980805532217
Energy: 1.3070530390905775
Energy: 1.3134540845932345
Energy: 1.3070530390905775
Energy: 1.3134540845932345
Energy: 1.3070530390895283
Energy: 1.3134540845942837
Energy: 1.2501962862876543
Energy: 1.3149999859105777
Energy: 1.2501962862887035
Energy: 1.3149999859095285
Energy: 1.2501962862897527
Energy: 1.3149999859063808
Energy: 1.5487042582256225
Energy: 1.187669001236097
Energy: 1.548704258226672
Energy: 1.1876690012371465
Energy: 1.5487042582256225
Energy: 1.1876690012371465
Energy: 1.2139902576382564
Energy: 1.3902903033697152
Energy: 1.2139902576382564
Energy: 1.3902903033676164
Energy: 1.2139902576393058
Energy: 1.3902903033655178
Energy: 1.4323538099201996
Energy: 1.1911624303360697
Energy: 1.4323538099181008
Energy: 1.1911624303350206
Energy: 1.43235380991915
Energy: 1.1911624303360697
Energy: 1.3504692000442842
Energy: 1.3806166477879198
Energy: 1.3504692000432348
Energy: 1.3806166477858213
Energy: 1.3504692000421856
Energy: 1.3806166477868707
Energy: 1.458159780229729
Energy: 1.2905984524498353
Energy: 1.458159780229729
Energy: 1.2905984524498353
Energy: 1.4581597802318276
Energy: 1.2905984524508844
Energy: 1.3002921938016416
Energy: 1.2676898160142438
Energy: 1.3002921938016416
Energy: 1.2676898160121453
Energy: 1.3002921938026433
Energy: 1.2676898160131944
Energy: 1.3503180530783165
Energy: 1.3615199993762677
Energy: 1.3503180530783165
Energy: 1.3615199993752185
Energy: 1.3503180530783165
Energy: 1.3615199993773168
Energy: 1.370258962981665
Energy: 1.3134344279349552
Energy: 1.370258962981665
Energy: 1.3134344279349552
Energy: 1.3702589629795663
Energy: 1.3134344279339059
Energy: 1.3712320694589892
Energy: 1.4200316320834165
Energy: 1.37123206945794
Energy: 1.4200316320802688
Energy: 1.371232069461088
Energy: 1.4200316320834165
Energy: 1.3558597028766706
Energy: 1.3198233139631572
Energy: 1.3558597028777197
Energy: 1.3198233139631572
Energy: 1.3558597028766706
Energy: 1.3198233139631572

minimum gb energy = 1.187669001236097 eV
minimum distance =  2.25961838504688 Angstroms
sigma value = 19


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

Energy: 1.127654622252321
Energy: 1.1558651603973336
Energy: 1.1276546222529433
Energy: 1.1558651603973336
Energy: 1.127654622251076
Energy: 1.155865160397956
Energy: 1.2643884845959135
Energy: 1.3653940285835493
Energy: 1.26438848460276
Energy: 1.3653940285841717
Energy: 1.2643884845959135
Energy: 1.3653940285841717
Energy: 1.0890664230998797
Energy: 1.3619206772771417
Energy: 1.0890664230980123
Energy: 1.3619206772771417
Energy: 1.089066423099257
Energy: 1.3619206772796313
Energy: 1.1858180057686922
Energy: 1.0890117841060802
Energy: 1.1858180057686922
Energy: 1.0890117841079474
Energy: 1.1858180057674474
Energy: 1.0890117841060802
Energy: 1.116215735408126
Energy: 1.124390651407498
Energy: 1.1162157354068813
Energy: 1.1243906514050084
Energy: 1.1162157354068813
Energy: 1.1243906514068753
Energy: 1.1161791481687493
Energy: 1.1244668130796838
Energy: 1.1161791481693717
Energy: 1.1244668130803064
Energy: 1.1161791481693717
Energy: 1.1244668130815512
Energy: 1.1858218265381055
Energy: 1.0889937939566747
Energy: 1.185821826538728
Energy: 1.0889937939560521
Energy: 1.1858218265399727
Energy: 1.0889937939572971
Energy: 1.0890399206762236
Energy: 1.3619684966281638
Energy: 1.0890399206756012
Energy: 1.3619684966262968
Energy: 1.0890399206743564
Energy: 1.3619684966275414
Energy: 1.26430986528731
Energy: 1.365336657190213
Energy: 1.2643098652910445
Energy: 1.3653366571895904
Energy: 1.2643098652848204
Energy: 1.365336657190213
Energy: 1.1276546222516985
Energy: 1.1558651603973336
Energy: 1.127654622251076
Energy: 1.1558651603973336
Energy: 1.1276546222516985
Energy: 1.1558651603967112
Energy: 1.2643884845996478
Energy: 1.3653940285841717
Energy: 1.2643884846052498
Energy: 1.3653940285841717
Energy: 1.2643884846021376
Energy: 1.3653940285835493
Energy: 1.089066423099257
Energy: 1.361920677275897
Energy: 1.0890664230998797
Energy: 1.3619206772796313
Energy: 1.0890664230980123
Energy: 1.361920677280876
Energy: 1.1858180057693146
Energy: 1.089011784107325
Energy: 1.1858180057686922
Energy: 1.0890117841060802
Energy: 1.1858180057686922
Energy: 1.0890117841067024
Energy: 1.1162157354075037
Energy: 1.1243906514043858
Energy: 1.1162157354068813
Energy: 1.1243906514050084
Energy: 1.1162157354075037
Energy: 1.1243906514056308
Energy: 1.1161791481693717
Energy: 1.1244668130790614
Energy: 1.1161791481693717
Energy: 1.1244668130815512
Energy: 1.1161791481693717
Energy: 1.1244668130821736
Energy: 1.185821826538728
Energy: 1.0889937939560521
Energy: 1.18582182653935
Energy: 1.0889937939566747
Energy: 1.1858218265381055
Energy: 1.0889937939566747
Energy: 1.0890399206749788
Energy: 1.3619684966275414
Energy: 1.0890399206762236
Energy: 1.3619684966294088
Energy: 1.0890399206756012
Energy: 1.3619684966281638
Energy: 1.264309865288555
Energy: 1.3653366571895904
Energy: 1.2643098652854428
Energy: 1.3653366571895904
Energy: 1.2643098652835756
Energy: 1.3653366571895904
Energy: 1.1276546222516985
Energy: 1.1558651603973336
Energy: 1.127654622251076
Energy: 1.1558651603973336
Energy: 1.127654622251076
Energy: 1.1558651603973336
Energy: 1.264388484597158
Energy: 1.3653940285841717
Energy: 1.264388484601515
Energy: 1.3653940285835493
Energy: 1.2643884846008928
Energy: 1.3653940285835493
Energy: 1.089066423099257
Energy: 1.3619206772765193
Energy: 1.0890664230986347
Energy: 1.3619206772790091
Energy: 1.089066423099257
Energy: 1.361920677280254
Energy: 1.1858180057686922
Energy: 1.0890117841054578
Energy: 1.1858180057693146
Energy: 1.089011784107325
Energy: 1.1858180057693146
Energy: 1.0890117841067024
Energy: 1.1162157354087485
Energy: 1.124390651407498
Energy: 1.116215735408126
Energy: 1.1243906514062534
Energy: 1.1162157354068813
Energy: 1.1243906514056308
Energy: 1.1161791481675043
Energy: 1.1244668130815512
Energy: 1.1161791481693717
Energy: 1.1244668130809288
Energy: 1.1161791481712389
Energy: 1.1244668130815512
Energy: 1.1858218265381055
Energy: 1.0889937939560521
Energy: 1.1858218265399727
Energy: 1.08899379395543
Energy: 1.1858218265381055
Energy: 1.0889937939560521
Energy: 1.0890399206762236
Energy: 1.3619684966281638
Energy: 1.0890399206749788
Energy: 1.3619684966294088
Energy: 1.0890399206768462
Energy: 1.3619684966262968
Energy: 1.2643098652860651
Energy: 1.365336657188968
Energy: 1.2643098652817084
Energy: 1.365336657188968
Energy: 1.2643098652866875
Energy: 1.3653366571908352
Energy: 1.127654622251076
Energy: 1.1558651603973336
Energy: 1.127654622252321
Energy: 1.1558651603973336
Energy: 1.127654622252321
Energy: 1.1558651603973336
Energy: 1.2643884846021376
Energy: 1.3653940285823047
Energy: 1.2643884846002702
Energy: 1.3653940285841717
Energy: 1.2643884845984033
Energy: 1.3653940285835493
Energy: 1.0890664230973897
Energy: 1.3619206772765193
Energy: 1.0890664230986347
Energy: 1.3619206772796313
Energy: 1.089066423099257
Energy: 1.361920677280254

minimum gb energy = 1.08899379395543 eV
minimum distance =  2.26696901159166 Angstroms
sigma value = 27


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

Energy: 1.109621524530667
Energy: 1.0801119161617942
Energy: 1.1096215245321916
Energy: 1.0801119161617942
Energy: 1.1096215245337162
Energy: 1.0801119161617942
Energy: 1.2768181779879808
Energy: 1.117660206738861
Energy: 1.2768181779864565
Energy: 1.1176602067403858
Energy: 1.2768181779879808
Energy: 1.1176602067419104
Energy: 1.128243993992898
Energy: 1.2427036717639897
Energy: 1.1282439939959474
Energy: 1.2427036717655142
Energy: 1.1282439939944229
Energy: 1.2427036717655142
Energy: 1.2549855124776046
Energy: 1.0483331167547294
Energy: 1.2549855124776046
Energy: 1.0483331167547294
Energy: 1.2549855124791292
Energy: 1.0483331167562193
Energy: 1.2522284716749459
Energy: 1.0483895802837109
Energy: 1.252228471671897
Energy: 1.0483895802837109
Energy: 1.2522284716749459
Energy: 1.0483895802837109
Energy: 1.2690062875686634
Energy: 1.31787914988347
Energy: 1.269006287565614
Energy: 1.317879149884995
Energy: 1.2690062875671384
Energy: 1.317879149884995
Energy: 1.1799764161159008
Energy: 1.122549175488536
Energy: 1.179976416117425
Energy: 1.122549175488536
Energy: 1.179976416117425
Energy: 1.122549175488536
Energy: 1.1050950244159932
Energy: 1.0853287186033482
Energy: 1.1050950244175175
Energy: 1.0853287186033482
Energy: 1.1050950244159932
Energy: 1.0853287186033482
Energy: 1.2731868665026143
Energy: 1.1278132879461853
Energy: 1.2731868665010895
Energy: 1.1278132924386968
Energy: 1.2731868665026143
Energy: 1.1278133018442642
Energy: 1.2252494297514416
Energy: 1.2659566331512893
Energy: 1.2252494297514416
Energy: 1.2659566331482401
Energy: 1.2252494297499172
Energy: 1.2659566331497645
Energy: 1.2556382170644425
Energy: 1.0492170146026456
Energy: 1.2556382170614278
Energy: 1.0492170146026456
Energy: 1.0813668298853782
Energy: 1.0492170146026456
Energy: 1.3180355266145471
Energy: 1.1986053725945411
Energy: 1.3180355266145471
Energy: 1.1986053725945411
Energy: 1.3180355266145471
Energy: 1.198605372596066

minimum gb energy = 1.0483331167547294 eV
minimum distance =  2.25235932062993 Angstroms
sigma value = 9


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

Energy: 1.1046161989453278
Energy: 1.0677820031046017
Energy: 1.1046161989448993
Energy: 1.067782003103745
Energy: 1.1046161989453278
Energy: 1.067782003103745
Energy: 1.0557437294126668
Energy: 1.0670894251982719
Energy: 1.0557437294096683
Energy: 1.0331468087177451
Energy: 1.055743729410525
Energy: 1.0331468087177451
Energy: 0.9788232743126036
Energy: 1.0826449523470487
Energy: 0.9788232743087483
Energy: 1.0826449523543311
Energy: 0.9788232743121754
Energy: 1.0826449523483337
Energy: 0.9993813540645007
Energy: 0.9597011401717342
Energy: 0.9993813540627872
Energy: 0.9597011401717342
Energy: 0.999381354062359
Energy: 0.9597011401713059
Energy: 1.0768228563468063
Energy: 1.0417042958419158
Energy: 1.0768228563510902
Energy: 1.041704295843201
Energy: 1.0768228563476632
Energy: 1.0417042958423444
Energy: 1.088192082349561
Energy: 1.0674778345948621
Energy: 1.088192082349133
Energy: 1.1047464515117418
Energy: 1.088192082350418
Energy: 1.0728857863522776
Energy: 1.0174409118862726
Energy: 1.1334074644815069
Energy: 1.0174409118914127
Energy: 1.13340746448065
Energy: 1.0174409118884145
Energy: 1.1334074644810785
Energy: 0.9393261054363622
Energy: 1.0814870989447958
Energy: 0.9393261054359338
Energy: 1.0814870989443672
Energy: 0.9393261054346486
Energy: 1.0814870989443672
Energy: 1.0869529780258755
Energy: 1.041997909647931
Energy: 1.0869529780421539
Energy: 1.041997909648788
Energy: 1.0869529780387268
Energy: 1.0419979096483594
Energy: 1.0839432787367946
Energy: 1.2399000001526654
Energy: 1.0839432787342242
Energy: 1.2399000001689435
Energy: 1.0839432787320822
Energy: 1.2399000001556642
Energy: 0.9966925923087299
Energy: 0.9675748550725479
Energy: 0.9966925923083017
Energy: 0.9675748550716913
Energy: 0.9966925923087299
Energy: 0.9675748550716913
Energy: 1.0278373438235167
Energy: 1.0697343346947028
Energy: 1.0278373438226598
Energy: 1.069734334695131
Energy: 1.0278373438273718
Energy: 1.069734334692989
Energy: 1.0487981895184952
Energy: 1.0517062037980556
Energy: 1.0487981895189233
Energy: 1.0517062037976272
Energy: 1.048798189526634
Energy: 1.0517062037954854
Energy: 1.0997040079671803
Energy: 0.9946267722101709
Energy: 1.099704007965895
Energy: 0.9946267722139873
Energy: 1.0997040079616114
Energy: 0.9946267722080291
Energy: 0.976739944231185
Energy: 1.073021715693665
Energy: 0.976739944231185
Energy: 1.0730217156928084
Energy: 0.9767399442324702
Energy: 1.0730217156923798
Energy: 0.9888439367404277
Energy: 1.0615938052546574
Energy: 0.9888439367322888
Energy: 1.0615938052563711
Energy: 0.9888439367352873
Energy: 1.0615938052503737
Energy: 1.2596041473076676
Energy: 0.9603959029529924
Energy: 1.2596041473098094
Energy: 0.9603959029534206
Energy: 1.2596041473098094
Energy: 0.9603959029525639
Energy: 0.990267476729457
Energy: 1.0372055472567696
Energy: 0.9902674767260301
Energy: 1.0372055472567696
Energy: 0.9902674767277437
Energy: 1.037205547256341
Energy: 0.9355721249374698
Energy: 1.2670016166952685
Energy: 0.9355721249391833
Energy: 1.2670016166948401
Energy: 0.935572124943467
Energy: 1.2670016166931268
Energy: 1.1604736147673105
Energy: 1.2120970971895184
Energy: 1.160473614766882
Energy: 0.9646707602312939
Energy: 1.1604736147690238
Energy: 0.9646707602295804
Energy: 0.9359908764099089
Energy: 1.26673667809192
Energy: 0.9359908764124791
Energy: 1.2667366780953468
Energy: 0.9359908764107656
Energy: 1.2667366780927767
Energy: 0.9902804084516981
Energy: 1.0372314095871717
Energy: 0.9902804084534114
Energy: 1.0372314095871717
Energy: 0.9902804084516981
Energy: 1.0372314095854582
Energy: 1.2594512697867097
Energy: 0.9600879444393351
Energy: 1.259451269784568
Energy: 0.9600879444401919
Energy: 1.259451269787995
Energy: 0.9600879444371934
Energy: 0.9892205565840546
Energy: 1.0801425285001764
Energy: 0.9892205565831979
Energy: 1.080142528495893
Energy: 0.9892205565823412
Energy: 1.08014252850189
Energy: 0.9770265337905404
Energy: 1.0729553886520278
Energy: 0.9770265337918256
Energy: 1.072955388653313
Energy: 0.977026533791397
Energy: 1.0729553886528846
Energy: 1.0997939069905218
Energy: 1.0765631167723178
Energy: 1.0997939069934815
Energy: 1.0765631167697476
Energy: 1.099793906991807
Energy: 1.0765631167718894
Energy: 1.049121818510525
Energy: 1.051672530994115
Energy: 1.049121818518197
Energy: 1.0516725309898314
Energy: 1.0491218185160551
Energy: 1.0516725309898314
Energy: 1.0278136236800728
Energy: 1.038999930196584
Energy: 1.0278136236766457
Energy: 1.0389999301995823
Energy: 1.0278136236809297
Energy: 1.0389999301987256
Energy: 0.9967133970816527
Energy: 0.9675399490846468
Energy: 0.9967133970833663
Energy: 0.9675399490855034
Energy: 0.9967133970812245
Energy: 0.967539949085075
Energy: 1.0834099623998439
Energy: 1.0101212625104332
Energy: 1.0834099623981304
Energy: 1.0101212625087197
Energy: 1.0834099623998439
Energy: 1.010121262516002
Energy: 1.087101059902809
Energy: 1.0421072949191883
Energy: 1.0871010599032374
Energy: 1.0421072949183314
Energy: 1.0871010599015238
Energy: 1.0421072949196164
Energy: 0.9392496878522577
Energy: 1.0813961786427175
Energy: 0.9392496878539711
Energy: 1.0813961786431459
Energy: 0.9392496878522577
Energy: 1.0813961786431459
Energy: 1.01729850700987
Energy: 1.1333595029397747
Energy: 1.0172985070094416
Energy: 1.1333595029397747
Energy: 1.0172985070102984
Energy: 1.133359502938918
Energy: 1.087959016347197
Energy: 1.0610444079930135
Energy: 1.0879590163489106
Energy: 1.0610444079904433
Energy: 1.0879590163454835
Energy: 1.0610444079895864
Energy: 1.0766833447398698
Energy: 1.0420691638116302
Energy: 1.0766833447372997
Energy: 1.042069163816342
Energy: 1.0766833447385846
Energy: 1.0420691638154853
Energy: 0.9993113962314077
Energy: 0.9597018586203662
Energy: 0.9993113962309793
Energy: 0.9597018586233648
Energy: 0.9993113962314077
Energy: 0.9597018586220797
Energy: 0.978802687564477
Energy: 1.0826452130513642
Energy: 0.9788026875631918
Energy: 1.0826452130509356
Energy: 0.9788026875640485
Energy: 1.0826452130509356
Energy: 1.0554620027193993
Energy: 0.9646353428584813
Energy: 1.0554620028097081
Energy: 0.964635342859338
Energy: 1.0554620027202173
Energy: 0.9646353428606231
Energy: 1.1046161989406544
Energy: 1.0677820030981762
Energy: 1.1046161989385128
Energy: 1.0677820030977478
Energy: 1.1046161989397978
Energy: 1.0677820030998897
Energy: 1.0557437294092398
Energy: 1.0331468087134614
Energy: 1.0557437294148089
Energy: 1.0331468087138898
Energy: 1.0557437294165222
Energy: 1.0331468087156033
Energy: 0.9788232743121754
Energy: 1.082644952350904
Energy: 0.9788232743083201
Energy: 1.0826449523526176
Energy: 0.9788232743126036
Energy: 1.0826449523590433
Energy: 0.9993813540666425
Energy: 0.9597011401811584
Energy: 0.9993813540687845
Energy: 0.9597011401845854
Energy: 0.9993813540653573
Energy: 0.9597011401820151
Energy: 1.0768228563480915
Energy: 1.0417042958496265
Energy: 1.07682285634852
Energy: 1.0417042958517682
Energy: 1.0768228563472348
Energy: 1.0417042958491982

minimum gb energy = 0.9355721249374698 eV
minimum distance =  2.29545260274132 Angstroms
sigma value = 57


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

Energy: 0.4823971613505528
Energy: 0.4942538754712364
Energy: 0.4823971613515279
Energy: 0.49425387547221156
Energy: 0.48239716135347815
Energy: 0.49425387547221156
Energy: 0.610680179251135
Energy: 0.48210832482191857
Energy: 0.6106801792521102
Energy: 0.4821083248238689
Energy: 0.610680179251135
Energy: 0.4821083248238689
Energy: 0.5389241642215423
Energy: 0.5999194883529011
Energy: 0.5389241642205672
Energy: 0.599919488351926
Energy: 0.5389241642215423
Energy: 0.5999194883529011
Energy: 0.4967986056332382
Energy: 0.48174016192491087
Energy: 0.49679860563226313
Energy: 0.4817401619268612
Energy: 0.49679860563421335
Energy: 0.481740161928767
Energy: 0.6075972599356633
Energy: 0.611766893075904
Energy: 0.6075972599337129
Energy: 0.6117668930739538
Energy: 0.6075972599366383
Energy: 0.6117668930778544
Energy: 0.4820276376661876
Energy: 0.5417170054508847
Energy: 0.4820276376671628
Energy: 0.5417170054528351
Energy: 0.4820276376671628
Energy: 0.5417170054538102
Energy: 0.4819970853829812
Energy: 0.5418114550563009
Energy: 0.48199708538200603
Energy: 0.5418114550669829
Energy: 0.48199708538590663
Energy: 0.5418114550650328
Energy: 0.6075520384664677
Energy: 0.6120178657662726
Energy: 0.6075520384654924
Energy: 0.6120178657682229
Energy: 0.6075520384645173
Energy: 0.6120178657691979
Energy: 0.4968021776916187
Energy: 0.4818051694241895
Energy: 0.4968021776925939
Energy: 0.4818051694241895
Energy: 0.4968021776955193
Energy: 0.48180516942516466
Energy: 0.5388979753513761
Energy: 0.5998361870692006
Energy: 0.5388979753513761
Energy: 0.5998361870692006
Energy: 0.5388979753513761
Energy: 0.5998361870692006
Energy: 0.6106785828970425
Energy: 0.48257151766781464
Energy: 0.6106785828960672
Energy: 0.4825715176726904
Energy: 0.6106785828960672
Energy: 0.4825715176668396
Energy: 0.4823971613515279
Energy: 0.49425387547318667
Energy: 0.4823971613505528
Energy: 0.49425387547221156
Energy: 0.482397161352503
Energy: 0.49425387547221156
Energy: 0.6106801792521102
Energy: 0.48210832482094346
Energy: 0.6106801792530853
Energy: 0.48210832482094346
Energy: 0.610680179251135
Energy: 0.4821083248199683
Energy: 0.5389241642225175
Energy: 0.5999194883529011
Energy: 0.5389241642215423
Energy: 0.5999194883529011
Energy: 0.5389241642215423
Energy: 0.5999194883509509
Energy: 0.49679860563421335
Energy: 0.4817401619268612
Energy: 0.49679860563421335
Energy: 0.48174016192393576
Energy: 0.49679860563421335
Energy: 0.48174016192588603
Energy: 0.6075972599366383
Energy: 0.6117668930739538
Energy: 0.607597259934688
Energy: 0.6117668930729787
Energy: 0.6075972599356633
Energy: 0.6117668930768793
Energy: 0.48202763766521245
Energy: 0.5417170054499539
Energy: 0.4820276376671628
Energy: 0.5417170054499539
Energy: 0.4820276376671628
Energy: 0.5417170054499539
Energy: 0.48199708538200603
Energy: 0.5418114550650328
Energy: 0.4819970853829812
Energy: 0.5418114550640576
Energy: 0.48199708538590663
Energy: 0.5418114550630825
Energy: 0.6075520384645173
Energy: 0.6120178657682229
Energy: 0.6075520384645173
Energy: 0.6120178657672477
Energy: 0.6075520384645173
Energy: 0.6120178657662726

minimum gb energy = 0.48174016192393576 eV
minimum distance =  2.39452399072294 Angstroms
sigma value = 11


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

Energy: 0.8612013729996846
Energy: 1.0530829027819093
Energy: 0.8612013729975416
Energy: 1.0530829027833377
Energy: 0.8612013730018274
Energy: 1.0530829027833377
Energy: 1.06645795573555
Energy: 0.9084043092565994
Energy: 1.0664579557341214
Energy: 0.9084043092587423
Energy: 1.0664579557362641
Energy: 0.9084043092565994
Energy: 1.068565025619144
Energy: 1.1972794135803666
Energy: 1.0685650256184296
Energy: 1.1972794135810811
Energy: 1.0685650256205725
Energy: 1.1972794135825096
Energy: 1.1979391446937604
Energy: 0.8073605495596643
Energy: 1.1979391446966177
Energy: 0.8073605495575215
Energy: 1.197939144697332
Energy: 0.8073605495603786
Energy: 1.0134081345984443
Energy: 0.7825411317434537
Energy: 1.0134081345984443
Energy: 0.7825411317427395
Energy: 1.0134081345984443
Energy: 0.7825411317441681
Energy: 0.9526319107773358
Energy: 0.7991295040258662
Energy: 0.9526319107759073
Energy: 0.7991295040265806
Energy: 0.9526319107794788
Energy: 0.7991295040315807
Energy: 0.7666036773382391
Energy: 0.8472074586408488
Energy: 0.7666036773375249
Energy: 0.8472074586437061
Energy: 0.7666036773368106
Energy: 0.8472074586422774
Energy: 1.04582224055744
Energy: 0.7457157468080946
Energy: 1.0458222405517257
Energy: 0.7457157468073803
Energy: 1.045822240555297
Energy: 0.7457157468073803
Energy: 1.0446536087173028
Energy: 0.7515437807385589
Energy: 1.0446536087165885
Energy: 0.7515437807378444
Energy: 1.0446536087165885
Energy: 0.7515437807392731
Energy: 0.7609025174874037
Energy: 1.1298071091938942
Energy: 0.7609025174888322
Energy: 1.1298071091967514
Energy: 0.7609025174895465
Energy: 1.1298071091924657
Energy: 0.9589710288221924
Energy: 0.9657758225630139
Energy: 0.9589710288229067
Energy: 0.9657758225658712
Energy: 0.958971028825764
Energy: 0.9657758225651567
Energy: 0.9101601869281274
Energy: 0.7857498434194363
Energy: 0.9101601869324131
Energy: 0.7857498434102153
Energy: 0.9101601869274131
Energy: 0.7857498434073581
Energy: 1.0679865770191002
Energy: 0.8145585706682203
Energy: 1.0679865770191002
Energy: 0.8145585706689347
Energy: 1.0679865770205288
Energy: 0.8145585706682203
Energy: 1.0481914138297133
Energy: 1.1636433123895435
Energy: 1.0481914138304276
Energy: 1.163643312388115
Energy: 1.0481914138275703
Energy: 1.1636433123938292
Energy: 1.064695266767533
Energy: 0.9061291914694782
Energy: 1.0646952667661043
Energy: 0.9061291914694782
Energy: 1.0646952667661043
Energy: 0.9061291914687639
Energy: 0.8303040362167458
Energy: 1.0459679579901269
Energy: 0.8303040362196029
Energy: 1.0459679579915555
Energy: 0.8303040362174601
Energy: 1.0459679579908414
Energy: 0.9212036590725985
Energy: 0.9020877017890003
Energy: 0.9212036590697413
Energy: 0.9020877017882861
Energy: 0.9212036590725985
Energy: 0.9020877017868575
Energy: 1.306272734068085
Energy: 1.005723606041729
Energy: 1.3062727340673705
Energy: 1.0057236060574435
Energy: 1.3062727340709421
Energy: 1.005723606056015
Energy: 0.9720549509938203
Energy: 0.8019279461741949
Energy: 0.9720549509938203
Energy: 0.8019279461727663
Energy: 0.9720549509981062
Energy: 0.8019279461741949
Energy: 0.8124619297843697
Energy: 0.9243941279864868
Energy: 0.8124619297850839
Energy: 0.9243941279857724
Energy: 0.8124619297950841
Energy: 0.9243941279872011
Energy: 0.7633849223544414
Energy: 0.8029799817408373
Energy: 0.7633849223572987
Energy: 0.8029799817394088
Energy: 0.763384922358013
Energy: 0.8029799817408373
Energy: 0.8114762502905615
Energy: 0.8468283179854743
Energy: 0.8114762502934187
Energy: 0.8468283179840458
Energy: 0.8114762502748467
Energy: 0.8468283179797598
Energy: 0.9341867048895081
Energy: 0.9263305398309669
Energy: 0.9341867048866508
Energy: 0.9263305398223952
Energy: 0.9341867048902224
Energy: 0.9263305398309669
Energy: 1.0443059310563123
Energy: 0.8960473751649187
Energy: 1.0443059310520264
Energy: 0.8960473751642044
Energy: 1.0443059310505978
Energy: 0.8960473751627759
Energy: 0.7633549450236627
Energy: 1.1306106546681927
Energy: 0.7633549450215198
Energy: 1.1306106546689068
Energy: 0.7633549450222341
Energy: 1.1306106546631924
Energy: 1.4717519436894284
Energy: 0.9642469905922125
Energy: 1.4717519436901425
Energy: 0.9642469905893551
Energy: 1.4717519436894284
Energy: 0.9642469905879265

minimum gb energy = 0.7457157468073803 eV
minimum distance =  2.30111045515242 Angstroms
sigma value = 41


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

Energy: 1.0380765341446692
Energy: 0.8759912142388042
Energy: 1.0380765341441058
Energy: 0.8759912142388042
Energy: 1.038076534143543
Energy: 0.8759912142382411
Energy: 1.1397641882842253
Energy: 1.0685159340336052
Energy: 1.1397641882814618
Energy: 1.0685159340347312
Energy: 1.1397641882837135
Energy: 1.0685159340341683
Energy: 1.013764905075935
Energy: 1.0031477312928307
Energy: 1.013764905075935
Energy: 1.0031477312911414
Energy: 1.013764905078187
Energy: 1.0031477312933936
Energy: 0.9101565025530597
Energy: 0.8513549599533148
Energy: 0.9101565025451779
Energy: 0.8513549599527518
Energy: 0.9101565025474299
Energy: 0.8513549599538778
Energy: 0.841694538291373
Energy: 0.915266398449114
Energy: 0.84169453829081
Energy: 0.915266398449114
Energy: 0.8416945382896838
Energy: 0.9152663984496768
Energy: 1.0984030606977058
Energy: 1.0817934439691184
Energy: 1.0984030606965802
Energy: 1.0817934439679926
Energy: 1.0984030606965802
Energy: 1.0817934439651775
Energy: 0.8457050952041046
Energy: 1.2429016048468742
Energy: 0.8457050952041046
Energy: 1.2429016048474373
Energy: 0.8457050952052306
Energy: 1.2429016048480002
Energy: 0.8213918343347054
Energy: 0.8512585515228779
Energy: 0.8213918343341426
Energy: 0.8512585515240038
Energy: 0.8213918343335797
Energy: 0.8512585515217517
Energy: 0.8561359447377676
Energy: 0.9044496558221906
Energy: 0.8561359447383305
Energy: 0.9044496558216276
Energy: 0.8561359447377676
Energy: 0.9044496558216276
Energy: 0.9131062251052726
Energy: 0.9268905771415858
Energy: 0.9131062251052726
Energy: 0.9268905771444008
Energy: 0.9131062251058355
Energy: 0.9268905771427118
Energy: 0.9033308985771695
Energy: 0.9362150413093602
Energy: 0.9033308985771695
Energy: 0.9362150413104862
Energy: 0.9033308985771695
Energy: 0.9362150413104862
Energy: 0.813400673908027
Energy: 1.0458100479420793
Energy: 0.8134006739085899
Energy: 1.0458100479420793
Energy: 0.813400673910279
Energy: 1.0458100479415162
Energy: 0.8210349934961616
Energy: 0.8483012595028735
Energy: 0.8210349934950354
Energy: 0.8483012595017475
Energy: 0.8210349934922206
Energy: 0.8483012595028735
Energy: 0.7991969855115
Energy: 0.9255189422933376
Energy: 0.799196985510937
Energy: 0.9255189422939006
Energy: 0.7991969855092481
Energy: 0.9255189422939006
Energy: 1.0952299771810179
Energy: 1.0784912712541346
Energy: 1.0952299771810179
Energy: 1.0784912712558234
Energy: 1.0952299771810179
Energy: 1.0784912712530086
Energy: 0.7907756377193923
Energy: 1.0777091135234
Energy: 0.7907756377199554
Energy: 1.077709113524526
Energy: 0.7907756377210813
Energy: 1.077709113524526
Energy: 0.8327447972238753
Energy: 0.8483802852584035
Energy: 0.8327447972244383
Energy: 0.8483802852578404
Energy: 0.8327447972238753
Energy: 0.8483802852567144
Energy: 0.8561268437652929
Energy: 1.0029899176881019
Energy: 0.8561268437664189
Energy: 1.002989917686976
Energy: 0.8561268437652929
Energy: 1.002989917687539
Energy: 0.9249307546667933
Energy: 1.0643534546823143
Energy: 0.9249307546578367
Energy: 1.0643534546828772
Energy: 0.9249307546516439
Energy: 1.0643534546828772
Energy: 0.8996512524369035
Energy: 0.854240065027449
Energy: 0.8996512524363405
Energy: 0.854240065028575
Energy: 0.8996512524340885
Energy: 0.854240065026886
Energy: 0.8349372404885614
Energy: 0.9315108879712647
Energy: 0.8349372404891244
Energy: 0.9315108879729534
Energy: 0.8349372404891244
Energy: 0.9315108879656346
Energy: 0.8755681506172321
Energy: 1.181217903074938
Energy: 0.875568150618921
Energy: 1.181217903073812
Energy: 0.8755681506076612
Energy: 1.181217903073812
Energy: 0.9112274773791162
Energy: 0.8536769252006369
Energy: 0.9112274773774274
Energy: 0.8536769252006369
Energy: 0.9112274773768645
Energy: 0.8536769252011999
Energy: 0.7906869219993967
Energy: 0.9252735599729076
Energy: 0.7906869219965819
Energy: 0.9252735599779747
Energy: 0.7906869219977077
Energy: 0.9252735599785376
Energy: 0.7921370988186536
Energy: 1.1050450726420193
Energy: 0.7921370988124606
Energy: 1.1050450726453975
Energy: 0.7921370988175276
Energy: 1.1050450726414565
Energy: 0.8445206569695941
Energy: 0.9202081238681452
Energy: 0.8445206569690311
Energy: 0.920208123869834
Energy: 0.8445206569695941
Energy: 0.920208123868708
Energy: 0.8346650472520406
Energy: 0.8537310999668867
Energy: 0.8346650472503516
Energy: 0.8537310999663237
Energy: 0.8346650472531665
Energy: 0.8537310999663237
Energy: 0.8550701638494735
Energy: 0.9162713584364699
Energy: 0.8550701638489107
Energy: 0.9162713584342178
Energy: 0.8550701638511626
Energy: 0.9162713584330918
Energy: 0.8990719738717393
Energy: 1.067950313124488
Energy: 0.8990719738706134
Energy: 1.0679503131233619
Energy: 0.8990719738711764
Energy: 1.067950313117169
Energy: 0.9875687044804036
Energy: 0.8751195253046113
Energy: 0.9875687044770256
Energy: 0.8751195253040484
Energy: 0.9875687044826554
Energy: 0.8751195253046113
Energy: 0.8255460332002912
Energy: 1.0430990073278357
Energy: 0.8255460332025432
Energy: 1.0430990073283986
Energy: 0.8255460332014172
Energy: 1.0430990073283986
Energy: 0.8640260949248684
Energy: 0.8941057943752737
Energy: 0.8640260949265574
Energy: 0.8941057943747107
Energy: 0.8640260949265574
Energy: 0.8941057943752737
Energy: 0.791923513861777
Energy: 0.8682687186455965
Energy: 0.7919235138634659
Energy: 0.8682687186439074
Energy: 0.7919235138606509
Energy: 0.8682687186455965

minimum gb energy = 0.7906869219965819 eV
minimum distance =  2.33100187884298 Angstroms
sigma value = 33


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

Energy: 0.9997099416499615
Energy: 0.9011862401861068
Energy: 0.9997099416519731
Energy: 0.9011862401849575
Energy: 0.9997099416483811
Energy: 0.9011862401865379
Energy: 0.9932447101261266
Energy: 0.8587674937603461
Energy: 0.9932447101300776
Energy: 0.8587674937587657
Energy: 0.9932447101316582
Energy: 0.8587674937583347
Energy: 0.9116438714312066
Energy: 1.0250460193031905
Energy: 0.9116438714248848
Energy: 1.0250460193052022
Energy: 0.9116438714299855
Energy: 1.0250460193024005
Energy: 0.907257033647757
Energy: 0.882437015439001
Energy: 0.9072570336469667
Energy: 0.8824370154397913
Energy: 0.9072570336489063
Energy: 0.8824370154386417
Energy: 0.9147129211640573
Energy: 0.9339736979490312
Energy: 0.9147129211604653
Energy: 0.9339736979565743
Energy: 0.9147129211656378
Energy: 0.9339736979537725
Energy: 1.2458839546836882
Energy: 0.9078362260148868
Energy: 1.2458839546836882
Energy: 0.9078362260153178
Energy: 1.2458839546805272
Energy: 0.9078362260145275
Energy: 0.8907233411491232
Energy: 0.9770020024570338
Energy: 0.8907233411428015
Energy: 0.9770020024522925
Energy: 0.8907233411467526
Energy: 0.9770020024562436
Energy: 0.9420064027488173
Energy: 0.9376206589433173
Energy: 0.9420064027515472
Energy: 0.9376206589488488
Energy: 0.9420064027444353
Energy: 0.9376206589445386
Energy: 1.047505511980029
Energy: 0.9368980874556929
Energy: 1.0475055119986354
Energy: 0.9368980874549027
Energy: 1.0475055120025865
Energy: 0.9368980874545434
Energy: 1.3081950747047628
Energy: 0.8864381698022401
Energy: 1.3081950747074926
Energy: 0.8864381698030304
Energy: 1.3081950747051219
Energy: 0.8864381698038205
Energy: 0.942523430371666
Energy: 0.9389418625543869
Energy: 0.9425234303705166
Energy: 0.9389418625559675
Energy: 0.9425234303705166
Energy: 0.9389418625575479
Energy: 1.5294162531219786
Energy: 0.8829260173593476
Energy: 1.5294162531188176
Energy: 0.8829260173581983
Energy: 1.5294162531216196
Energy: 0.8829260173601379
Energy: 0.9368628487442514
Energy: 1.0468044201668556
Energy: 0.9368628487434613
Energy: 1.0468044201850308
Energy: 0.9368628487403003
Energy: 1.0468044202114677
Energy: 0.9662353312953835
Energy: 0.942020554725983
Energy: 0.9662353312949524
Energy: 0.9420205547307244
Energy: 0.9662353312957428
Energy: 0.9420205547264141
Energy: 0.9498192761635977
Energy: 0.8866692588813943
Energy: 0.9498192761600776
Energy: 0.8866692588821845
Energy: 0.9498192761620172
Energy: 0.8866692588821845
Energy: 0.8959156736721512
Energy: 1.2524773435470749
Energy: 0.8959156736694213
Energy: 1.2524773435454941
Energy: 0.8959156736689903
Energy: 1.2524773435462846
Energy: 0.9727721042051006
Energy: 0.8662023423680161
Energy: 0.9727721041846266
Energy: 0.8662023423668668
Energy: 0.9727721042074713
Energy: 0.8662023423695966
Energy: 0.8750053968551416
Energy: 0.9108646741089229
Energy: 0.8750053968511905
Energy: 0.9108646741081328
Energy: 0.8750053968535612
Energy: 0.9108646741085639
Energy: 1.0307012280531338
Energy: 0.9102350325944722
Energy: 1.0307012280567258
Energy: 0.9102350325948316
Energy: 1.0307012280570849
Energy: 0.9102350325940414
Energy: 0.9623489615121951
Energy: 0.9195736832386285
Energy: 0.9623489615066636
Energy: 0.919573683237479
Energy: 0.9623489615110455
Energy: 0.9195736832362579
Energy: 0.8673195665602447
Energy: 0.9556054220997028
Energy: 0.8673195665582331
Energy: 0.9556054220989125
Energy: 0.867319566557874
Energy: 0.9556054220976912
Energy: 0.8523328776425186
Energy: 0.9959910091205911
Energy: 0.8523328776413692
Energy: 0.9959910091154188
Energy: 0.8523328776397888
Energy: 0.995991009112258
Energy: 0.9504628359327809
Energy: 0.8402799228867058
Energy: 0.9504628359343613
Energy: 0.8402799228859156
Energy: 0.9504628359316314
Energy: 0.8402799228859156
Energy: 0.8654241923997554
Energy: 0.9040069943558485
Energy: 0.8654241923982467
Energy: 0.9040069943562077
Energy: 0.8654241923986058
Energy: 0.9040069943590096
Energy: 0.9305116825892116
Energy: 0.8659705199744377
Energy: 0.9305116825852604
Energy: 0.8659705199732882
Energy: 0.9305116825856914
Energy: 0.8659705199760181
Energy: 0.9018218361172785
Energy: 1.2405589484265411
Energy: 0.9018218361149077
Energy: 1.2405589484257509
Energy: 0.9018218361172785
Energy: 1.2405589484257509
Energy: 0.9915468482416306
Energy: 0.8961518029952972
Energy: 0.9915468482420615
Energy: 0.8961518029984581
Energy: 0.9915468482381103
Energy: 0.8961518029940758
Energy: 0.954253546261331
Energy: 0.8660010265226047
Energy: 0.9542535462593913
Energy: 0.8660010265261967
Energy: 0.9542535462589603
Energy: 0.8660010265257656
Energy: 0.9385981750627272
Energy: 1.047292770871975
Energy: 0.9385981750639486
Energy: 1.0472927708778659
Energy: 0.9385981750572675
Energy: 1.0472927708770758
Energy: 0.880495436104865
Energy: 1.3023128860870905
Energy: 0.8804954361060863
Energy: 1.302312886085079
Energy: 0.8804954361072357
Energy: 1.3023128860863002
Energy: 0.9063326364058946
Energy: 0.869681858018722
Energy: 0.9063326364062537
Energy: 0.8696818580199432
Energy: 0.9063326364062537
Energy: 0.869681858019153
Energy: 0.8650596205171566
Energy: 1.2815253961590898
Energy: 0.8650596205203175
Energy: 1.28152539615557
Energy: 0.865059620515576
Energy: 1.2815253961649806
Energy: 0.9624414493378733
Energy: 0.8966787943343159
Energy: 0.9624414493367238
Energy: 0.8966787943339568
Energy: 0.9624414493386635
Energy: 0.8966787943358964
Energy: 0.9468517137317741
Energy: 0.9570053712285511
Energy: 0.9468517137317741
Energy: 0.9570053712340826
Energy: 0.9468517137329234
Energy: 0.9570053712293413
Energy: 0.9465628190881005
Energy: 0.9571637735130717
Energy: 0.9465628190885317
Energy: 0.957163773513862
Energy: 0.9465628190881005
Energy: 0.957163773513862
Energy: 0.9624809808175239
Energy: 0.896709371851199
Energy: 0.9624809808333284
Energy: 0.8967093718524203
Energy: 0.9624809808344778
Energy: 0.8967093718508398
Energy: 0.8650167266201855
Energy: 0.9192594094705576
Energy: 0.865016726621766
Energy: 0.9192594094634455
Energy: 0.865016726622125
Energy: 0.9192594095194798
Energy: 0.9063144417074479
Energy: 0.8696212355548867
Energy: 0.9063144417082382
Energy: 0.8696212355533062
Energy: 0.9063144417085974
Energy: 0.8696212355537374
Energy: 0.8804899640490351
Energy: 1.3022851336916847
Energy: 0.8804899640482449
Energy: 1.3022851336877335
Energy: 0.8804899640478856
Energy: 1.3022851336825612
Energy: 0.9386004973215385
Energy: 1.047207742265257
Energy: 0.9386004973218975
Energy: 1.04720774227553
Energy: 0.9386004973231189
Energy: 1.0472077422668373
Energy: 0.954365608010749
Energy: 0.8668632357201478
Energy: 0.9543656080131196
Energy: 0.8668632357225184
Energy: 0.9543656080154903
Energy: 0.8668632357244582
Energy: 0.9918511878676792
Energy: 0.8960513453889618
Energy: 0.9918511878653086
Energy: 0.8960513453877404
Energy: 0.9918511878680383
Energy: 0.8960513453885306
Energy: 0.9018907960060836
Energy: 1.2405668206564187
Energy: 0.9018907960096754
Energy: 1.2405668206548381
Energy: 0.9018907960073047
Energy: 1.2405668206540479
Energy: 0.9300612773463538
Energy: 0.8661889460469122
Energy: 0.9300612773561959
Energy: 0.8661889460454035
Energy: 0.9300612773482935
Energy: 0.8661889460422427
Energy: 0.8650122449465816
Energy: 0.9056104250086656
Energy: 0.8650122449489522
Energy: 0.905610425003134
Energy: 0.8650122449473718
Energy: 0.9056104250113957
Energy: 0.9508907205891617
Energy: 0.8403666505597264
Energy: 0.9508907205864318
Energy: 0.8403666505636774
Energy: 0.9508907205888024
Energy: 0.8403666505573557
Energy: 0.8523994597317438
Energy: 0.9962396529809021
Energy: 0.8523994597309535
Energy: 0.9962396529812614
Energy: 0.8523994597258528
Energy: 0.9962396529797527

minimum gb energy = 0.8402799228859156 eV
minimum distance =  2.32601084489647 Angstroms
sigma value = 67


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

Energy: 1.0576306710773746
Energy: 0.960090674578777
Energy: 1.057630671074734
Energy: 0.9600906745814176
Energy: 1.057630671074734
Energy: 0.9600906745814176
Energy: 1.0046955453955297
Energy: 0.8782228724046934
Energy: 1.0046955453955297
Energy: 0.8782228724046934
Energy: 1.0046955453928892
Energy: 0.8782228724046934
Energy: 0.9446199488592673
Energy: 1.132225412964425
Energy: 0.9446199488566267
Energy: 1.132225412964425
Energy: 0.9446199488592673
Energy: 1.132225412964425
Energy: 1.0045269221286706
Energy: 0.8783442899642602
Energy: 1.0045269221286706
Energy: 0.8783442899642602
Energy: 1.0045269221286706
Energy: 0.8783442899616195
Energy: 1.0576306710720935
Energy: 0.9600906745761363
Energy: 1.0576306710720935
Energy: 0.9600906745761363
Energy: 1.0576306710720935
Energy: 0.9600906745761363
Energy: 1.0046955453928892
Energy: 0.8782228724099147
Energy: 1.0046955453955297
Energy: 0.8782228724099147
Energy: 1.0046955453955297
Energy: 0.8782228724099147
Energy: 0.9446199488539859
Energy: 1.1322254129617844
Energy: 0.9446199488539859
Energy: 1.1322254129617844
Energy: 0.9446199488539859
Energy: 1.1322254129617844

minimum gb energy = 0.8782228724046934 eV
minimum distance =  2.33237929847511 Angstroms
sigma value = 3


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

Energy: 1.280107546512953
Energy: 1.157145365411351
Energy: 1.2310974253349334
Energy: 1.1571453654185382
Energy: 1.2801075465201401
Energy: 1.1571453654185382
Energy: 1.1550913640708251
Energy: 1.067877740580146
Energy: 1.155091364078012
Energy: 1.067877740580146
Energy: 1.1550913640672316
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Energy: 1.1762437646747212
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Energy: 1.1244062761840332
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Energy: 1.123881799580051
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Energy: 1.2321499941887415
Energy: 1.103071742500356
Energy: 1.2321499941887415
Energy: 1.0979976354484398
Energy: 1.2022518555287562
Energy: 1.0979987838703833
Energy: 1.2022518555251627
Energy: 1.0979976354376593
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Energy: 1.0723749113910845
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Energy: 1.1983952579380865
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Energy: 1.141419430951431
Energy: 1.1217299342164821
Energy: 1.1414194309406505
Energy: 1.1217299342164821
Energy: 1.1414194309442443
Energy: 1.2035726316945519
Energy: 1.1096284616841265
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Energy: 1.1096284616805332
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Energy: 1.1096284616805332
Energy: 1.1208466488630933
Energy: 1.0602302208996135
Energy: 1.1208466488666866
Energy: 1.060230220903207
Energy: 1.12084664887028
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Energy: 1.2335821004286893
Energy: 1.0686726061763092
Energy: 1.233582100432283
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Energy: 1.2335821004143155
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Energy: 1.1372622773815686
Energy: 1.210469421877348
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Energy: 1.1372622773636012
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Energy: 1.138421418124807
Energy: 1.2320393622355146
Energy: 1.138421418131994
Energy: 1.2320393622283274
Energy: 1.138421418131994
Energy: 1.2320393622211405
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Energy: 1.1820288503805518
Energy: 1.0978475886852572
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Energy: 1.125523533831704
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Energy: 1.2352720036846705
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Energy: 1.1775014844888967
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Energy: 1.2429642954479598
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Energy: 1.117818626593133
Energy: 1.1564595554736625
Energy: 1.0969666621366616
Energy: 1.156459555477256
Energy: 1.117818626593133
Energy: 1.156459555477256
Energy: 1.1032107498285249
Energy: 1.164590682200965
Energy: 1.1032107498357122
Energy: 1.164590682186591
Energy: 1.103210749821338
Energy: 1.164590682186591
Energy: 1.1548754647963775
Energy: 1.0354673113901427
Energy: 1.1548754648035646
Energy: 1.0354673113973298
Energy: 1.154875464814345
Energy: 1.0354673113973298
Energy: 1.1223033749733975
Energy: 1.0688385468122152
Energy: 1.1223033749769908
Energy: 1.0688385468158086
Energy: 1.1223033749769908
Energy: 1.0688385468122152
Energy: 1.168715337940552
Energy: 1.1144595484200357
Energy: 1.1169965846201804
Energy: 1.1144595484092554
Energy: 1.1687153379369584
Energy: 1.1144595484092554
Energy: 1.1544233198758393
Energy: 1.0678997898008138
Energy: 1.1038678276379974
Energy: 1.0678997898080005
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Energy: 1.0678997898008138
Energy: 1.1631963184403435
Energy: 1.0711349247855955
Energy: 1.1631963184403435
Energy: 1.071134924774815
Energy: 1.1631963184367502
Energy: 1.071134924774815
Energy: 1.1371935392866064
Energy: 1.0962533183287155
Energy: 1.137193539283013
Energy: 1.096438178530348
Energy: 1.1371935392794197
Energy: 1.0962243975793462
Energy: 1.1844344374288613
Energy: 1.1738843706620743
Energy: 1.1844344374180809
Energy: 1.1738843706441722
Energy: 1.184434437425268
Energy: 1.1738843706477005
Energy: 1.091282479068738
Energy: 1.1342046042514822
Energy: 1.091282479075925
Energy: 1.1342046042442953
Energy: 1.0912824790795186
Energy: 1.1342046042371083
Energy: 1.2493894822650016
Energy: 1.124588130864684
Energy: 1.2504409991527887
Energy: 1.1245881308610903
Energy: 1.2493894822506277
Energy: 1.124588130864684
Energy: 1.0974338515511848
Energy: 1.2485422523346474
Energy: 1.097436526025214
Energy: 1.2485422523310539
Energy: 1.0974338515619653
Energy: 1.2485422523346474
Energy: 1.1496666932673931
Energy: 1.122707255922239
Energy: 1.149666693253019
Energy: 1.1227072559150522
Energy: 1.1496666932350514
Energy: 1.1227072559150522
Energy: 1.070382348877426
Energy: 1.1768163318677989
Energy: 1.0703823488630522
Energy: 1.1768163318821727
Energy: 1.0703823488594586
Energy: 1.1768163318821727
Energy: 1.2112929548058844
Energy: 1.1247046541751142
Energy: 1.211292954726893
Energy: 1.1247046541894228
Energy: 1.2112929545580644
Energy: 1.1247046541930164
Energy: 1.1006476355699677
Energy: 1.1169585289696162
Energy: 1.1010126205528752
Energy: 1.1169585864004388
Energy: 1.1006476355879353
Energy: 1.1169585992702271
Energy: 1.2637572301957833
Energy: 1.091347033119354
Energy: 1.2637572301814093
Energy: 1.091347033097793
Energy: 1.2637572302029705
Energy: 1.0913470330941997
Energy: 1.1174374955693418
Energy: 1.1587567133804209
Energy: 1.1174374955729354
Energy: 1.158756713373234
Energy: 1.1174374955873092
Energy: 1.158756713373234
Energy: 1.16232456736749
Energy: 1.0713396829561301
Energy: 1.162324567381864
Energy: 1.0713396829453499
Energy: 1.1623245673854574
Energy: 1.0713396829453499
Energy: 1.1191153236221054
Energy: 1.164814865622346
Energy: 1.1191153236221054
Energy: 1.164814865622346
Energy: 1.1191153236221054
Energy: 1.164814865622346
Energy: 1.2292624383298507
Energy: 1.0836158765752164
Energy: 1.2292624383226638
Energy: 1.0836158765716228
Energy: 1.2292624383118833
Energy: 1.0836158765716228
Energy: 1.206735094647156
Energy: 1.0765012895154729
Energy: 1.206735041853503
Energy: 1.0765012895226598
Energy: 1.2067350946507494
Energy: 1.0765012895262531
Energy: 1.178842491936667
Energy: 1.112819759290077
Energy: 1.1788424919258864
Energy: 1.1128197592936708
Energy: 1.17884249192948
Energy: 1.1128197593008575
Energy: 1.100960857806786
Energy: 1.1834165396717258
Energy: 1.1009608578139731
Energy: 1.183416539660945
Energy: 1.100960857806786
Energy: 1.1834165396537581
Energy: 1.1548412518917648
Energy: 1.1234399936389432
Energy: 1.1548412518953586
Energy: 1.1234399936281627
Energy: 1.1548412519025455
Energy: 1.1234399936317563
Energy: 1.1597053134663702
Energy: 1.1235690113421573
Energy: 1.1597680531521164
Energy: 1.1235690113673114
Energy: 1.159705313459183
Energy: 1.1235690113673114

minimum gb energy = 1.0354673113901427 eV
minimum distance =  2.30064872134615 Angstroms
sigma value = 81


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

Energy: 1.201617679026451
Energy: 1.1318593236602899
Energy: 1.201617679026451
Energy: 1.131859323660783
Energy: 1.2016176790289173
Energy: 1.131859323660783
Energy: 1.08507184980525
Energy: 1.0464179692797397
Energy: 1.0850718498037704
Energy: 1.0464179692807263
Energy: 1.0850718498076712
Energy: 1.0464179692807263
Energy: 1.1628573859310432
Energy: 0.998699825608233
Energy: 1.162857385928084
Energy: 0.9986998256102058
Energy: 1.1628573859354818
Energy: 0.9986998256077396
Energy: 1.0986840878630588
Energy: 1.1129445639704385
Energy: 1.098684087863552
Energy: 1.1129445639733977
Energy: 1.0986840878640451
Energy: 1.1129445639699453
Energy: 1.0536756307270694
Energy: 1.0826550746189045
Energy: 1.053675630725096
Energy: 1.0826550746193977
Energy: 1.053675630724603
Energy: 1.0826550746198909
Energy: 1.0508592906342824
Energy: 0.9975990556111529
Energy: 1.0508592906313232
Energy: 0.9975990556081937
Energy: 1.0508592906337892
Energy: 0.9975990556096732
Energy: 1.000314952754636
Energy: 0.9960613928509671
Energy: 1.0003149527556225
Energy: 0.9960613928465283
Energy: 1.0003149527556225
Energy: 0.9960613928499807
Energy: 1.061999877150984
Energy: 1.1575022445008811
Energy: 1.061999877148518
Energy: 1.1575022445043337
Energy: 1.0619998771499977
Energy: 1.1575022445043337
Energy: 1.2509215501581872
Energy: 1.14697644610132
Energy: 1.2509215501572009
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Energy: 1.2509215501581872
Energy: 1.1469764461042793
Energy: 1.1204797448146495
Energy: 1.3430321695716936
Energy: 1.1204797448264863
Energy: 1.3430321695707073
Energy: 1.1204797448176087
Energy: 1.3430321695721867
Energy: 1.0712290666982454
Energy: 1.0429980889648718
Energy: 1.071229066700218
Energy: 1.042998088965365
Energy: 1.0712290666942996
Energy: 1.0429980889648718
Energy: 0.9957639498398175
Energy: 1.0334349658168562
Energy: 0.9957639498422837
Energy: 1.0334349658134034
Energy: 0.995763949838338
Energy: 1.0334349658153763
Energy: 1.0896128648913381
Energy: 1.0528082685582845
Energy: 1.0896128648893653
Energy: 1.0528082685577913
Energy: 1.0896128648923245
Energy: 1.0528082685558187
Energy: 1.148351265198936
Energy: 0.9985250567597389
Energy: 1.1483512651969632
Energy: 0.9985250567558382
Energy: 1.1483512651974563
Energy: 0.9985250567563315
Energy: 1.2045079064801032
Energy: 0.9870051965860936
Energy: 1.2045079064786237
Energy: 0.9870051965875731
Energy: 1.2045079064805964
Energy: 0.9870051965856004
Energy: 1.061982660694997
Energy: 0.9945852842684262
Energy: 1.0619826606940106
Energy: 0.9945852842689195
Energy: 1.061982660694997
Energy: 0.9945852842684262
Energy: 1.1609721152847614
Energy: 0.9958002837508653
Energy: 1.160972115284268
Energy: 0.9958002837508653
Energy: 1.1609721152872274
Energy: 0.995800283752838
Energy: 0.981518207710112
Energy: 1.173096894558505
Energy: 0.9815182077120848
Energy: 1.173096894558505
Energy: 0.9815182077145507
Energy: 1.1730968945589981
Energy: 0.9993612452350301
Energy: 1.1361125675979855
Energy: 0.9993612452315779
Energy: 1.136112567600945
Energy: 0.999361245234537
Energy: 1.1361125676004518
Energy: 1.1121752319857785
Energy: 1.277358513043659
Energy: 1.1121752319916967
Energy: 1.2773585130451388
Energy: 1.1121752319892306
Energy: 1.2773585130461251
Energy: 0.9982021262562396
Energy: 1.0530470454804364
Energy: 0.9982021262552531
Energy: 1.0530470454814227
Energy: 0.9982021262557463
Energy: 1.0530470454809295
Energy: 1.0643864021076412
Energy: 1.043796654797494
Energy: 1.064386402104682
Energy: 1.0437966548004534
Energy: 1.0643864021061618
Energy: 1.04379665479996
Energy: 1.064416856996218
Energy: 0.9811795758833093
Energy: 1.0644168569967112
Energy: 0.9811795758818298
Energy: 1.0644168569996704
Energy: 0.9811795758818298
Energy: 1.1008025437396525
Energy: 1.056068394583228
Energy: 1.1008025437396525
Energy: 1.0560683945842146
Energy: 1.1008025437391593
Energy: 1.0560683945837213
Energy: 1.1462455431007519
Energy: 1.243921150004901
Energy: 1.1462455430972993
Energy: 1.2439211500034215
Energy: 1.1462455431027248
Energy: 1.2439211500058873
Energy: 1.2085625184930269
Energy: 1.3560539741498365
Energy: 1.2085625184871085
Energy: 1.3560539741498365
Energy: 1.2085625184920403
Energy: 1.3560539741488502
Energy: 0.9832491587013311
Energy: 1.0975096562496347
Energy: 0.9832491586978787
Energy: 1.0975096562496347
Energy: 0.9832491586963988
Energy: 1.0975096562496347
Energy: 1.0328166668938357
Energy: 0.9962880671247544
Energy: 1.032816666892849
Energy: 0.9962880671232749
Energy: 1.032816666892849
Energy: 0.996288067121302
Energy: 1.1033968370699625
Energy: 1.0861356074695057
Energy: 1.1033968370714422
Energy: 1.0861356074685191
Energy: 1.1033968370714422
Energy: 1.0861356074680262
Energy: 0.9968893769105646
Energy: 0.9866211035231031
Energy: 0.9968893769145102
Energy: 0.9866211035231031
Energy: 0.9968893769125373
Energy: 0.9866211035231031
Energy: 1.1136098372263488
Energy: 1.1966220446129507
Energy: 1.1136098372244208
Energy: 1.196622044616403
Energy: 1.1136098372244208
Energy: 1.1966220446188691
Energy: 0.9956795547205954
Energy: 1.0548872870903154
Energy: 0.995679554719609
Energy: 1.0548872870883428
Energy: 0.9956795547191157
Energy: 1.0548872870898223
Energy: 0.9954376537301718
Energy: 1.027824686410242
Energy: 0.9954376537296786
Energy: 1.027824686407776
Energy: 0.9954376537316515
Energy: 1.0278246864107352
Energy: 1.0065556654425074
Energy: 0.9991281339697451
Energy: 1.0065556654434937
Energy: 0.9991281339687588
Energy: 1.0065556654395482
Energy: 0.9991281339687588
Energy: 1.054352836003694
Energy: 1.3744526344182506
Energy: 1.0543528360096124
Energy: 1.3744526344143049
Energy: 1.054352836003201
Energy: 1.374452634417264
Energy: 1.2889062810718899
Energy: 1.1124873512429534
Energy: 1.2889062810763285
Energy: 1.1124873512380216
Energy: 1.2889062810738625
Energy: 1.112487351241474
Energy: 1.103696881015156
Energy: 0.9994438428501263
Energy: 1.1036968810171286
Energy: 0.9994438428496332
Energy: 1.1036968810136765
Energy: 0.9994438428506196
Energy: 1.0434590431605182
Energy: 0.9958739779193806
Energy: 1.0434590431610113
Energy: 0.9958739779174078
Energy: 1.0434590431595316
Energy: 0.9958739779154351

minimum gb energy = 0.9811795758818298 eV
minimum distance =  2.35715859305385 Angstroms
sigma value = 43


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

Energy: 1.3323100320736052
Energy: 1.0255931022431586
Energy: 1.3323100320754226
Energy: 1.0255931022425526
Energy: 1.3323100320766341
Energy: 1.0255931022425526
Energy: 1.1477005108782847
Energy: 1.0323548014270074
Energy: 1.1477005108819196
Energy: 1.032354801426402
Energy: 1.1477005108770728
Energy: 1.032354801425796
Energy: 1.1874333563766153
Energy: 1.2529470650704073
Energy: 1.1874333563796442
Energy: 1.2529470650667727
Energy: 1.2114664435061449
Energy: 1.252947065066167
Energy: 1.059306140047529
Energy: 1.095206661401017
Energy: 1.0593061400493464
Energy: 1.095206661400411
Energy: 1.0593061400499522
Energy: 1.095206661400411
Energy: 1.0635875901254208
Energy: 1.1546640549714369
Energy: 1.0635875901254208
Energy: 1.1546640549793123
Energy: 1.0635875901254208
Energy: 1.1546640549787064
Energy: 1.0870625492368169
Energy: 1.112619415262018
Energy: 1.087062549236211
Energy: 1.1126194152632294
Energy: 1.0870625492368169
Energy: 1.1126194152626234
Energy: 1.1713776730377092
Energy: 1.198710460423267
Energy: 1.1713776730364978
Energy: 1.1987104604214494
Energy: 1.1713776730364978
Energy: 1.1987104604244785
Energy: 1.0845112596700923
Energy: 1.1395204386440578
Energy: 1.0845112596688808
Energy: 1.1395204386422406
Energy: 1.0845112596700923
Energy: 1.1395204386452698
Energy: 1.1827601600290996
Energy: 1.0325879140768826
Energy: 1.1827601600351576
Energy: 1.032587914077461
Energy: 1.1827601600351576
Energy: 1.0325879140768826
Energy: 1.085735084444968
Energy: 1.1173220807636812
Energy: 1.085735084442545
Energy: 1.117322080764893
Energy: 1.085735084444968
Energy: 1.117322080764893
Energy: 1.2106553167927983
Energy: 1.0461441019152642
Energy: 1.2106553167915863
Energy: 1.0461441019146585
Energy: 1.2106553167903749
Energy: 1.0461441019164759
Energy: 1.0845193114600298
Energy: 1.0725604866545901
Energy: 1.0845193114600298
Energy: 1.0725604866539842
Energy: 1.0845193114600298
Energy: 1.0725604866551957
Energy: 1.17347530753253
Energy: 1.11277171762825
Energy: 1.1734727221192403
Energy: 1.1127717176288558
Energy: 1.1734630977888303
Energy: 1.1127717176288558
Energy: 0.9947197745851205
Energy: 1.2539831954693792
Energy: 0.9947197745863322
Energy: 1.2539831954663498
Energy: 0.9947197745851205
Energy: 1.2539831954675618
Energy: 1.0642110023198725
Energy: 1.1532388744976647
Energy: 1.0642110023204785
Energy: 1.1532388744988766
Energy: 1.0642110023216902
Energy: 1.1532388744970592
Energy: 1.1184100341815058
Energy: 1.0970452796952135
Energy: 1.1184100341809
Energy: 1.0970452796909729
Energy: 1.1184100341821115
Energy: 1.0970452796927903
Energy: 1.1682742136498456
Energy: 1.0296536757426629
Energy: 1.1682742136371236
Energy: 1.0296536757426629
Energy: 1.168274213651663
Energy: 1.0296536757432686
Energy: 1.184082987360121
Energy: 1.0995492773251032
Energy: 1.1840829873613323
Energy: 1.0995492773263145
Energy: 1.1840829873595151
Energy: 1.0995492773257087
Energy: 1.2615607730252087
Energy: 1.0791906418498425
Energy: 1.2615607730264207
Energy: 1.0791906418504484
Energy: 1.261560773027026
Energy: 1.0791906418504484
Energy: 1.1676851512828013
Energy: 1.0295152836453787
Energy: 1.167685151296129
Energy: 1.0295152836453787
Energy: 1.1676851512749258
Energy: 1.0295152836465906
Energy: 1.118436145135862
Energy: 1.1440725013506423
Energy: 1.118436145135862
Energy: 1.1440725013506423
Energy: 1.1184361451340445
Energy: 1.1440725013506423
Energy: 1.192859831543452
Energy: 1.1541859679486113
Energy: 1.1928598315422407
Energy: 1.1541859679486113
Energy: 1.192859831543452
Energy: 1.1541859679486113
Energy: 0.9934236119969444
Energy: 1.173363945631202
Energy: 0.9934236119993676
Energy: 1.1733639456299905
Energy: 0.9934236119993676
Energy: 1.1733639456305964
Energy: 1.199871780892974
Energy: 1.1138871841604394
Energy: 1.1998717808941857
Energy: 1.1138871841610454
Energy: 1.1998717808947916
Energy: 1.1138871841598337
Energy: 1.0846554678149296
Energy: 1.0795978511278488
Energy: 1.0846554678143239
Energy: 1.0795978511278488
Energy: 1.084655467816747
Energy: 1.0795978511284543
Energy: 1.1938081675861387
Energy: 1.1248945013011047
Energy: 1.1938081675873502
Energy: 1.1248945013017102
Energy: 1.1938081675861387
Energy: 1.1248945013011047
Energy: 1.1144558492578966
Energy: 1.2162825241404813
Energy: 1.1144558492615315
Energy: 1.2162825241416932
Energy: 1.1144558492578966
Energy: 1.2162825241416932
Energy: 1.1852723941671783
Energy: 1.0214171723501817
Energy: 1.1852723941702075
Energy: 1.0214171723501817
Energy: 1.1852723941689958
Energy: 1.0214171723507874
Energy: 1.0845836356301488
Energy: 1.1389425051135846
Energy: 1.0845836356301488
Energy: 1.1389425051117674
Energy: 1.0845836356307548
Energy: 1.138942505112373
Energy: 1.1411656705053579
Energy: 1.1698109379878632
Energy: 1.1411656705065694
Energy: 1.1698109379884691
Energy: 1.1411656705065694
Energy: 1.1698109379878632
Energy: 1.088151725958381
Energy: 1.1128730859523097
Energy: 1.088151725958987
Energy: 1.1128730859523097
Energy: 1.0881517259577753
Energy: 1.112873085951098

minimum gb energy = 0.9934236119969444 eV
minimum distance =  2.31411125682304 Angstroms
sigma value = 57


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

Energy: 1.1294253558816885
Energy: 0.9770381783999089
Energy: 1.1294253558809038
Energy: 0.9770381783999089
Energy: 1.1294253558809038
Energy: 0.9770381783999089
Energy: 1.0915892337720534
Energy: 0.990775527991008
Energy: 1.0915892337704847
Energy: 0.9907755279917924
Energy: 1.0915892337712692
Energy: 0.9907755279917924
Energy: 1.1225734515619037
Energy: 1.2251317255200744
Energy: 1.1225734515579817
Energy: 1.2251317255200744
Energy: 1.122573451556413
Energy: 1.225131725523212
Energy: 1.1218352331597021
Energy: 1.1499452794287799
Energy: 1.1218352331416608
Energy: 1.1499452794295641
Energy: 1.1218352331471517
Energy: 1.1499452794287799
Energy: 1.0273583931048937
Energy: 1.1452532123439625
Energy: 1.0273583931072467
Energy: 1.1452532123439625
Energy: 1.0273583931048937
Energy: 1.145253212344747
Energy: 1.0821972384032859
Energy: 1.0769843784959439
Energy: 1.0821972384072078
Energy: 1.0769843784959439
Energy: 1.0821972384040703
Energy: 1.0769843784967283
Energy: 1.1161770723993527
Energy: 1.2264770499322308
Energy: 1.1161770723985684
Energy: 1.2264770499314464
Energy: 1.1161770724009217
Energy: 1.2264770499330153
Energy: 1.106660601523081
Energy: 0.9821050065965579
Energy: 1.1066606015262184
Energy: 0.9821050065957735
Energy: 1.1066606015222964
Energy: 0.9821050065973425
Energy: 1.04823811875944
Energy: 0.9837951628882867
Energy: 1.0482381187570866
Energy: 0.9837951628859335
Energy: 1.0482381187625776
Energy: 0.9837951628859335
Energy: 0.9883297662418985
Energy: 1.0814514932237902
Energy: 0.9883297662418985
Energy: 1.0814514932245747
Energy: 0.9883297662411141
Energy: 1.0814514932245747
Energy: 1.1155701239880822
Energy: 1.1533105561612862
Energy: 1.1155701239865132
Energy: 1.1533105561628547
Energy: 1.115570123985729
Energy: 1.1533105561612862
Energy: 1.0304679235403085
Energy: 1.1447265643530011
Energy: 1.0304679235403085
Energy: 1.1447265643530011
Energy: 1.030467923541093
Energy: 1.1447265643522166
Energy: 1.1448459554574102
Energy: 0.9847261169599809
Energy: 1.144845955455057
Energy: 0.9847261169615495
Energy: 1.1448459554621164
Energy: 0.9847261169615495
Energy: 1.0606737641983892
Energy: 0.9955759542986499
Energy: 1.0606737642172146
Energy: 0.9955759543002187
Energy: 1.060673764220352
Energy: 0.9955759542978655
Energy: 1.0613951228184686
Energy: 0.9852968370684515
Energy: 1.0613951228176841
Energy: 0.9852968370676669
Energy: 1.0613951228184686
Energy: 0.9852968370692358
Energy: 1.0369769961479054
Energy: 0.9790705571053377
Energy: 1.0369769961486897
Energy: 0.9790705571061222
Energy: 1.036976996147121
Energy: 0.9790705571061222
Energy: 0.9703669615249874
Energy: 1.0904961911268833
Energy: 0.9703669615257717
Energy: 1.0904961911268833
Energy: 0.9703669615226341
Energy: 1.0904961911260993
Energy: 1.112276093915891
Energy: 1.1106726834157805
Energy: 1.1122760939143224
Energy: 1.110672683413427
Energy: 1.1122760939143224
Energy: 1.1106726834095408
Energy: 0.9707012316591112
Energy: 1.090139980685659
Energy: 0.9707012316598955
Energy: 1.0901399806864434
Energy: 0.9707012316598955
Energy: 1.0901399806864434
Energy: 1.0371406605120181
Energy: 0.9789281266753743
Energy: 1.0371406605151556
Energy: 0.978928126684787
Energy: 1.03714066051594
Energy: 0.9789281266824338
Energy: 1.061400846790541
Energy: 0.9852751270654356
Energy: 1.0614008467889722
Energy: 0.9852751270638668
Energy: 1.0614008467897564
Energy: 0.9852751270638668
Energy: 1.0619454599931824
Energy: 0.9954463650838639
Energy: 1.0619454600355396
Energy: 0.9954463650870014
Energy: 1.061945460006517
Energy: 0.9954463650760198
Energy: 1.1447563228937516
Energy: 0.9847766400452741
Energy: 1.1447563228961048
Energy: 0.9847766400452741
Energy: 1.1447563228929674
Energy: 0.9847766400452741
Energy: 1.0305034079120392
Energy: 1.1445291314956607
Energy: 1.0305034079128232
Energy: 1.144529131499583
Energy: 1.0305034079112545
Energy: 1.1445291314956607

minimum gb energy = 0.9703669615226341 eV
minimum distance =  2.34519963087396 Angstroms
sigma value = 17


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

Energy: 1.1254471297309505
Energy: 1.007748740068178
Energy: 1.1254471297309505
Energy: 1.0077487400670686
Energy: 1.1254471297309505
Energy: 1.0077487400670686
Energy: 0.9778644571456665
Energy: 0.9694549468135363
Energy: 0.9778644571456665
Energy: 0.969454946815755
Energy: 0.9778644571456665
Energy: 0.9694549468135363
Energy: 1.1783137953149756
Energy: 1.152195607086382
Energy: 1.1783137953138665
Energy: 1.152195607086382
Energy: 1.1783137953138665
Energy: 1.1521956070852726
Energy: 0.894322287259222
Energy: 1.1194502757405864
Energy: 0.8943222872570036
Energy: 1.1194502757405864
Energy: 0.8943222872603313
Energy: 1.119450275739477
Energy: 1.0089707606141756
Energy: 1.074960130686881
Energy: 1.0089707606152851
Energy: 1.0749601306857717
Energy: 1.0089707606152851
Energy: 1.0749601306857717
Energy: 1.029125466073719
Energy: 1.111005539825292
Energy: 1.0291254660726097
Energy: 1.1110055398241827
Energy: 1.029125466073719
Energy: 1.1110055398230736
Energy: 1.1107509532104074
Energy: 0.9681417168202278
Energy: 1.1107509532081885
Energy: 0.9681417168169
Energy: 1.1107509532081885
Energy: 0.9681417168191183
Energy: 0.9399485816748676
Energy: 1.0821844766623236
Energy: 0.939948581675977
Energy: 1.0821844766634328
Energy: 0.939948581675977
Energy: 1.0821844766623236
Energy: 1.0830118293306301
Energy: 0.9708146981760153
Energy: 1.0830118293328486
Energy: 0.9708146981771245
Energy: 1.0830118293317395
Energy: 0.9708146981771245
Energy: 1.0407490373473962
Energy: 0.9751575358896142
Energy: 1.040749037346287
Energy: 0.9751575358928917
Energy: 1.0407490373473962
Energy: 0.9751575358907235
Energy: 1.0238153783116921
Energy: 0.9424762302893012
Energy: 1.0238153783116921
Energy: 0.9424762302904105
Energy: 1.0238153783105828
Energy: 0.9424762302904105
Energy: 1.0159975501605287
Energy: 0.9700823175140585
Energy: 1.0159975501594194
Energy: 0.970082317516277
Energy: 1.0159975501594194
Energy: 0.9700823175151677
Energy: 0.9185298301530779
Energy: 1.1136447136249183
Energy: 0.9185298301541873
Energy: 1.1136447136249183
Energy: 0.9185298301541873
Energy: 1.1136447136249183
Energy: 1.0401361976472905
Energy: 1.0971895749159575
Energy: 1.0401361976472905
Energy: 1.0971895749159575
Energy: 1.0401361976472905
Energy: 1.0971895749170668
Energy: 1.0337976640824225
Energy: 0.9249544983194051
Energy: 1.0337976640790947
Energy: 0.9249544983160771
Energy: 1.0337976640790947
Energy: 0.9249544983182957
Energy: 1.0331195164089033
Energy: 1.1160129800619107
Energy: 1.0331195164100127
Energy: 1.1160129800608014
Energy: 1.0331195164100127
Energy: 1.1160129800619107
Energy: 1.0377944459685453
Energy: 1.0957504766755812
Energy: 1.0377944459663266
Energy: 1.0957504766766906
Energy: 1.037794445967436
Energy: 1.0957504766755812

minimum gb energy = 0.8943222872570036 eV
minimum distance =  2.29896585408338 Angstroms
sigma value = 17


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

Energy: 1.0285458395431495
Energy: 0.9188557703681575
Energy: 1.0285458395444347
Energy: 0.9188557703690141
Energy: 1.0285458395410467
Energy: 0.9188557703694425
Energy: 0.9312152646235129
Energy: 0.9441357741324401
Energy: 0.9312152646230845
Energy: 0.9438007358708994
Energy: 0.931215264624798
Energy: 0.9441357741392942
Energy: 1.0271225923674379
Energy: 0.9796520692468388
Energy: 1.0271225923695795
Energy: 0.9796520692472672
Energy: 1.0271225923682945
Energy: 0.9796520692468388
Energy: 0.8594890599022293
Energy: 0.9775210856877244
Energy: 0.8594890599018011
Energy: 0.9775210856855826
Energy: 0.8594890598992309
Energy: 0.9775210856877244
Energy: 0.9336826491299283
Energy: 0.8851185216192035
Energy: 0.9336826491342122
Energy: 0.8851185216153481
Energy: 0.9336826491290716
Energy: 0.8851185216243438
Energy: 0.9788246552610078
Energy: 0.9335090540107226
Energy: 0.978824655258866
Energy: 0.9335090540137213
Energy: 0.9788246552601512
Energy: 0.9335090540141497
Energy: 0.9325309299984316
Energy: 0.9247614061194437
Energy: 0.932530930000145
Energy: 0.9247614061207289
Energy: 0.9325309299971465
Energy: 0.9247614061177302
Energy: 0.9433366448623046
Energy: 1.0352355518977354
Energy: 0.9433366448635898
Energy: 1.0352355519448173
Energy: 0.9433366448614481
Energy: 1.0352355519405336
Energy: 0.9588031386754362
Energy: 0.9846889512262831
Energy: 0.9588031386767214
Energy: 0.9846889512262831
Energy: 0.9588031386737227
Energy: 0.9846889512271397
Energy: 0.9320148563734271
Energy: 0.8430626417967954
Energy: 0.9320148563700001
Energy: 0.8430626417976521
Energy: 0.9320148563725704
Energy: 0.8430626417967954
Energy: 0.8597337939225101
Energy: 0.9979502116745093
Energy: 0.8597337939165128
Energy: 0.9979502116757945
Energy: 0.8597337939203682
Energy: 0.9979502116800782
Energy: 1.0318180771011047
Energy: 0.9124000623374405
Energy: 1.0318180770951464
Energy: 0.9124000623365838
Energy: 1.031818077097288
Energy: 0.9124000623537186
Energy: 0.9524852662917219
Energy: 0.9115220785341418
Energy: 0.9524852662870098
Energy: 0.9115220785345701
Energy: 0.9524852662895802
Energy: 0.9115220785367121
Energy: 0.9374881002481747
Energy: 0.9255742387879791
Energy: 0.9374881002486031
Energy: 0.9255742387768414
Energy: 0.9374881002490315
Energy: 0.9255742387802683
Energy: 0.9792254790275443
Energy: 1.0053299354514262
Energy: 0.9792254790194052
Energy: 1.0053299354479994
Energy: 0.9792254790241174
Energy: 1.0053299354445724
Energy: 0.8597697913853616
Energy: 1.0187952549822266
Energy: 0.8597697913896452
Energy: 1.0187952549822266
Energy: 0.8597697913879317
Energy: 1.018795254984797
Energy: 0.9512274808400513
Energy: 0.9651328757958278
Energy: 0.9512274808417648
Energy: 0.9651328757958278
Energy: 0.9512274808349108
Energy: 0.9651328757953995
Energy: 0.9814384841381649
Energy: 0.9746284688410081
Energy: 0.9814384841390217
Energy: 0.9746284688392945
Energy: 0.9814384841385934
Energy: 0.9746284688392945
Energy: 0.943886499615331
Energy: 0.9699414910718056
Energy: 0.9438864996149028
Energy: 0.969941491070092
Energy: 0.9438864996144744
Energy: 0.9699414910726621
Energy: 0.9502631089151594
Energy: 0.8426508105943303
Energy: 0.9502631089083053
Energy: 0.8426508105891898
Energy: 0.9502631089151594
Energy: 0.8426508105951869
Energy: 0.9440917041093775
Energy: 0.9703295518601599
Energy: 0.9440917041098058
Energy: 0.9703295518593029
Energy: 0.9440917041106627
Energy: 0.9703295518601599
Energy: 0.9814578244714658
Energy: 0.974666894812814
Energy: 0.9814578244680389
Energy: 0.9746668948098155
Energy: 0.9814578244697525
Energy: 0.9746668948072453
Energy: 0.9510452532062393
Energy: 0.9652013611878869
Energy: 0.9510452532062393
Energy: 0.9652013611870303
Energy: 0.9510452532049543
Energy: 0.9652013611874587
Energy: 0.8596858623920407
Energy: 1.0474010717946354
Energy: 0.859685862392469
Energy: 1.0474010717959206
Energy: 0.859685862392469
Energy: 1.0474010717954925
Energy: 0.9641342239170629
Energy: 1.0043856150413246
Energy: 0.9641342239217748
Energy: 1.004385615039611
Energy: 0.9641342239187765
Energy: 1.004385615041753
Energy: 0.9374552101998164
Energy: 0.9257855495493004
Energy: 0.9374552101972851
Energy: 0.9257855495488719
Energy: 0.9374552101981419
Energy: 0.9257855495497287
Energy: 0.9525943339948006
Energy: 0.9113387945385185
Energy: 0.9525943339948006
Energy: 0.9113387945363766
Energy: 0.9525943339935156
Energy: 0.911338794539375
Energy: 1.0318179481677552
Energy: 0.9124802708167106
Energy: 1.0318179481681835
Energy: 0.9124802708201375
Energy: 1.0318179481681835
Energy: 0.9124802708201375
Energy: 0.8596143521749823
Energy: 0.9977029068761862
Energy: 0.8596143521766959
Energy: 0.9977029068796134
Energy: 0.8596143521741257
Energy: 0.997702906875758
Energy: 0.9320580702019151
Energy: 0.843314230937764
Energy: 0.9320580702010582
Energy: 0.8433142309373356
Energy: 0.9320580702032
Energy: 0.8433142309390491
Energy: 0.9590584051846727
Energy: 0.9847651298478788
Energy: 0.9590584051859578
Energy: 0.9847651298495923
Energy: 0.9590584051851011
Energy: 0.9847651298495923
Energy: 0.9433736388190457
Energy: 1.0353618411627306
Energy: 0.9433736388211875
Energy: 1.0353618411627306
Energy: 0.9433736388130485
Energy: 1.035361841163159
Energy: 0.9325256916774268
Energy: 0.9246693214285293
Energy: 0.9325256916808538
Energy: 0.9246693214298145
Energy: 0.9325256916688592
Energy: 0.9246693214319562
Energy: 0.9788335441054296
Energy: 0.9000063086904366
Energy: 0.9788335441054296
Energy: 0.90000630868958
Energy: 0.9788335441041445
Energy: 0.9000063086904366
Energy: 0.9299211083392346
Energy: 0.8851219636199802
Energy: 0.9299211083358077
Energy: 0.8851219636225505
Energy: 0.9299211083306672
Energy: 0.8851219636212654
Energy: 0.8595614539609769
Energy: 0.9833654510189758
Energy: 0.8595614539592633
Energy: 0.9833654510176906
Energy: 0.8595614539596917
Energy: 0.9833654510194042
Energy: 1.0274010369894075
Energy: 0.9793846789574482
Energy: 1.0274010369898359
Energy: 0.9793846789574482
Energy: 1.0274010369906925
Energy: 0.9793846789578766
Energy: 0.9316604707919875
Energy: 0.8994991520752601
Energy: 0.9316604707945578
Energy: 0.8994991520752601
Energy: 0.9316604707919875
Energy: 0.8994991520748319
Energy: 1.028545839541475
Energy: 0.9188557703685859
Energy: 1.0285458395431495
Energy: 0.9188557703698711
Energy: 1.0285458395401899
Energy: 0.9188557703694425
Energy: 0.931215264624798
Energy: 0.8960556291544028
Energy: 0.931215264621371
Energy: 0.8960556291561164
Energy: 0.9312152646217993
Energy: 0.8960556291561164
Energy: 1.0271225923640108
Energy: 0.9796520692481239
Energy: 1.027122592364439
Energy: 0.9796520692485524
Energy: 1.027122592364439
Energy: 0.9796520692485524
Energy: 0.8594890599018011
Energy: 0.9648152821333462
Energy: 0.859489059898374
Energy: 0.9648152821320611
Energy: 0.8594890599030861
Energy: 0.9648152821307759
Energy: 0.9336826491273581
Energy: 0.8851185216127778
Energy: 0.9336826491282147
Energy: 0.885118521622202
Energy: 0.9336826491265013
Energy: 0.8851185216200601

minimum gb energy = 0.8426508105891898 eV
minimum distance =  2.32152813952194 Angstroms
sigma value = 57


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

Energy: 0.9438383280296453
Energy: 0.8496862435868622
Energy: 0.9438383280275529
Energy: 0.8496862435875597
Energy: 0.9438383280352253
Energy: 0.8496862435889547
Energy: 0.9616735428777176
Energy: 0.8372054338914209
Energy: 0.9616735428812049
Energy: 0.8372054338935134
Energy: 0.9616735428812049
Energy: 0.8372054338935134
Energy: 0.9665011224103669
Energy: 0.9079890151471528
Energy: 0.9665011224138544
Energy: 0.9079890151478504
Energy: 0.9665011224117619
Energy: 0.9079890151492453
Energy: 0.8079691371664465
Energy: 0.9286304101091691
Energy: 0.8079691371692365
Energy: 0.9286304101084716
Energy: 0.807969137167144
Energy: 0.9286304101084716
Energy: 0.8486867020236732
Energy: 0.8302576475917901
Energy: 0.8486867020578504
Energy: 0.8302576475896976
Energy: 0.8486867020208833
Energy: 0.8302576475896976
Energy: 0.9199133449595976
Energy: 0.8363533499017328
Energy: 0.9199133449616268
Energy: 0.8363533499010354
Energy: 0.9199133449616268
Energy: 0.8363533499003378
Energy: 0.7947745823803506
Energy: 0.8944442115490854
Energy: 0.7947745823803506
Energy: 0.8944442115539679
Energy: 0.7947745823810481
Energy: 0.8944442115518754
Energy: 1.0564634305199876
Energy: 0.8738346642347342
Energy: 1.056463430518593
Energy: 0.8738346642361292
Energy: 1.0564634305178953
Energy: 0.8738346642326419
Energy: 0.8431355773058544
Energy: 0.8388798972517265
Energy: 0.8431355773093419
Energy: 0.838879897251029
Energy: 0.8431355773072494
Energy: 0.8388798972503315
Energy: 0.8569483980907535
Energy: 0.8579810209224317
Energy: 0.8569483980914511
Energy: 0.8579810209231291
Energy: 0.8569483980928461
Energy: 0.8579810209238264
Energy: 0.7954099026792257
Energy: 0.9685322293265506
Energy: 0.7954099026813181
Energy: 0.9685322293293406
Energy: 0.7954099026799232
Energy: 0.968532229328643
Energy: 0.8799536579762324
Energy: 0.8057083647439273
Energy: 0.8799536579748374
Energy: 0.8057083647460197
Energy: 0.8799536579741398
Energy: 0.805708364748112
Energy: 0.8547566040090029
Energy: 0.9145464382322787
Energy: 0.8547566040062129
Energy: 0.9145464382308837
Energy: 0.8547566040097003
Energy: 0.9145464382287911
Energy: 0.8097662721721022
Energy: 0.8826059782935549
Energy: 0.8097662721686146
Energy: 0.8826059782984375
Energy: 0.8097662721693122
Energy: 0.8826059782949499
Energy: 0.9492502417329944
Energy: 0.8513809737487287
Energy: 0.949250241736482
Energy: 0.8513809737501236
Energy: 0.9492502417343894
Energy: 0.8513809737487287
Energy: 0.8534810994839078
Energy: 0.8485086234437121
Energy: 0.853481099474143
Energy: 0.8485086234374347
Energy: 0.8534810994832103
Energy: 0.8485086234367372
Energy: 0.881085397535599
Energy: 0.963020334232342
Energy: 0.8810853975321115
Energy: 0.963020334232342
Energy: 0.881085397535599
Energy: 0.9630203342316446
Energy: 0.9072517109267418
Energy: 0.9333298868385845
Energy: 0.9072517109239518
Energy: 0.9333298868462568
Energy: 0.9072517109274394
Energy: 0.9333298868441643
Energy: 0.8222375584660322
Energy: 1.0092994206056929
Energy: 0.8222375584653349
Energy: 1.0092994206049952
Energy: 0.8222375584639399
Energy: 1.0092994206049952
Energy: 0.8137300157571998
Energy: 0.9203703805653641
Energy: 0.8137300157558048
Energy: 0.9203703805653641
Energy: 0.8137300157571998
Energy: 0.9203703805653641
Energy: 0.8996515445385799
Energy: 0.9005667192877256
Energy: 0.8996515445420673
Energy: 0.9005667192891206
Energy: 0.8996515445385799
Energy: 0.9005667192863306
Energy: 0.7946360443018176
Energy: 1.0138273283376735
Energy: 0.7946360443018176
Energy: 1.013827328336976
Energy: 0.7946360443060024
Energy: 1.0138273283634809
Energy: 0.8786190651766848
Energy: 0.8785808241265821
Energy: 0.8786190651801723
Energy: 0.8785808241258846
Energy: 0.8786190651808699
Energy: 0.8785808241265821
Energy: 0.882661441070889
Energy: 1.0145962693898527
Energy: 0.882661441070889
Energy: 1.014596269385731
Energy: 0.882661441072284
Energy: 1.0145962693968276
Energy: 0.8709423793673223
Energy: 1.0820600645744733
Energy: 0.8709423793666248
Energy: 1.0820600645730785
Energy: 0.8709423793673223
Energy: 1.082060064573776
Energy: 0.8524084041103542
Energy: 0.8779475249153031
Energy: 0.8524084041103542
Energy: 0.8779475249160007
Energy: 0.8524084041103542
Energy: 0.8779475249160007
Energy: 0.8078957542224415
Energy: 1.0075457954167615
Energy: 0.8078957542231391
Energy: 1.0075457954153664
Energy: 0.8078957542231391
Energy: 1.0075457954153664

minimum gb energy = 0.7946360443018176 eV
minimum distance =  2.28633289915315 Angstroms
sigma value = 43


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

Energy: 0.811227015101131
Energy: 0.7644382092114138
Energy: 0.811227015101131
Energy: 0.7644382092114138
Energy: 0.8112270151006229
Energy: 0.7644382092103975
Energy: 0.8364953418736858
Energy: 0.7752018446623656
Energy: 0.8364953418731778
Energy: 0.7752018446623656
Energy: 0.8364953418741938
Energy: 0.7752018446638902
Energy: 0.8327469717845114
Energy: 0.8249545862108596
Energy: 0.8327469717845114
Energy: 0.8249545862108596
Energy: 0.8327469717840031
Energy: 0.8249545862098431
Energy: 0.864474757982888
Energy: 0.7996178838782484
Energy: 0.8644747579823797
Energy: 0.7996178838802812
Energy: 0.864474757983396
Energy: 0.7996178838802812
Energy: 0.8332840033387265
Energy: 0.7382635036010232
Energy: 0.8332840033422838
Energy: 0.7382635036020395
Energy: 0.8332840033397428
Energy: 0.7382635036010232
Energy: 0.7848015575463418
Energy: 0.749999244082754
Energy: 0.7848015575463418
Energy: 0.749999244082754
Energy: 0.7848015575453254
Energy: 0.7499992440822457
Energy: 0.7112667469153302
Energy: 0.7735335858853516
Energy: 0.7112667469178711
Energy: 0.7735335858868763
Energy: 0.7112667469178711
Energy: 0.7735335858868763
Energy: 1.015241394037173
Energy: 0.7259639395988313
Energy: 1.0152413940351404
Energy: 0.7259639395983232
Energy: 1.015241394036665
Energy: 0.7259639395983232
Energy: 0.7510219740250131
Energy: 0.7401323854698189
Energy: 0.751021974024505
Energy: 0.740132385470327
Energy: 0.7510219740255213
Energy: 0.7401323854698189
Energy: 0.8401268558860902
Energy: 0.7356242605849769
Energy: 0.8401268558871066
Energy: 0.7356242605824359
Energy: 0.8401268558860902
Energy: 0.7356242605814195
Energy: 0.9073339512411739
Energy: 0.8115090021341523
Energy: 0.9073339512396493
Energy: 0.8115090021341523
Energy: 0.9073339512396493
Energy: 0.8115090021336441
Energy: 0.7122064610982405
Energy: 0.742244691336587
Energy: 0.7122064610967158
Energy: 0.7422446913360788
Energy: 0.7122064610982405
Energy: 0.7422446913350624
Energy: 0.8390550635740238
Energy: 0.7016657512735646
Energy: 0.8390550635735158
Energy: 0.7016657512735646
Energy: 0.8390550635730076
Energy: 0.7016657512750892
Energy: 0.9059004635659936
Energy: 0.8119047259037682
Energy: 0.9059004635644691
Energy: 0.8119047259037682
Energy: 0.9059004635670102
Energy: 0.8119047259047847
Energy: 0.7359723283632772
Energy: 0.7397648734118392
Energy: 0.7359723283617527
Energy: 0.7397648734123472
Energy: 0.7359723283632772
Energy: 0.7397648734118392
Energy: 0.7850997784729381
Energy: 0.7799922894681628
Energy: 0.7850997784759873
Energy: 0.7799922894681628
Energy: 0.7850997784764956
Energy: 0.7799922894681628
Energy: 0.836867116720035
Energy: 0.8968448730506158
Energy: 0.8368671167190186
Energy: 0.8968448730501075
Energy: 0.8368671167195268
Energy: 0.8968448730506158
Energy: 0.7573409031682435
Energy: 0.7423853253480666
Energy: 0.7573409031672271
Energy: 0.7423853253318506
Energy: 0.7573409031677353
Energy: 0.7423853253394272
Energy: 0.7526698910869707
Energy: 0.8256008663258553
Energy: 0.7526698910839216
Energy: 0.825600866325347
Energy: 0.752669891085446
Energy: 0.8256008663263634
Energy: 0.7829538158843129
Energy: 0.8144366849933155
Energy: 0.7829538158827882
Energy: 0.8144366849933155
Energy: 0.7829538158822801
Energy: 0.8144366849922992
Energy: 0.8205761283855356
Energy: 0.7743832107871516
Energy: 0.8205761283829944
Energy: 0.7743832107876599
Energy: 0.8205761283835028
Energy: 0.7743832107871516
Energy: 0.7736492598544296
Energy: 0.8283003145415366
Energy: 0.7736492598549378
Energy: 0.8283003145415366
Energy: 0.7736492598559542
Energy: 0.8283003145425528
Energy: 0.7988321667019809
Energy: 0.827337684632291
Energy: 0.7988321667055382
Energy: 0.8273376846333074
Energy: 0.7988321667045218
Energy: 0.8273376846312746
Energy: 0.8671183556904672
Energy: 0.7766067262711884
Energy: 0.867118355689959
Energy: 0.7766067262711884
Energy: 0.867118355689959
Energy: 0.7766067262727131
Energy: 0.7125160298830785
Energy: 0.8123255142677669
Energy: 0.7125160298805375
Energy: 0.8123255142667505
Energy: 0.7125160298856196
Energy: 0.8123255142672587
Energy: 0.7320024570844683
Energy: 0.7985581318969908
Energy: 0.7320024570865012
Energy: 0.7985581318969908
Energy: 0.7320024570880257
Energy: 0.7985581318980071
Energy: 0.807461830083946
Energy: 0.7293940346056381
Energy: 0.8074618300788642
Energy: 0.7293940346066544
Energy: 0.7983607141224264
Energy: 0.7293940346066544
Energy: 0.7061689434641518
Energy: 0.8085346892072093
Energy: 0.7061689434636436
Energy: 0.8085346892077174
Energy: 0.7061689434631353
Energy: 0.8085346892061929
Energy: 0.7319052465940399
Energy: 0.7490734027956553
Energy: 0.7319052465945481
Energy: 0.7490734027951469
Energy: 0.7319052465935317
Energy: 0.7490734027956553
Energy: 0.7303536551006787
Energy: 0.910999708937286
Energy: 0.7303536551016951
Energy: 0.910999708937286
Energy: 0.7303536550991543
Energy: 0.910999708937286
Energy: 0.6975380098027842
Energy: 0.8081783440833094
Energy: 0.697538009799227
Energy: 0.8081783440807684
Energy: 0.6975380098022761
Energy: 0.8081783440817848
Energy: 0.732291694712025
Energy: 0.7237831647419911
Energy: 0.7322916947105005
Energy: 0.7237831647419911
Energy: 0.7322916947130416
Energy: 0.7237831647419911
Energy: 0.708048573008061
Energy: 0.8114227351145282
Energy: 0.7080485730151296
Energy: 0.81142273511402
Energy: 0.7080485730100938
Energy: 0.8114227351135118
Energy: 0.8410658641332086
Energy: 0.9109996066853545
Energy: 0.8410658641352414
Energy: 0.9109996066853545
Energy: 0.8410658641352414
Energy: 0.9109996066858626
Energy: 0.7334819005717995
Energy: 0.7031726662030076
Energy: 0.7334819005702751
Energy: 0.7031726662030076
Energy: 0.7334819005728159
Energy: 0.703172666204024
Energy: 0.6574106194573298
Energy: 0.8101101591343042
Energy: 0.6574106194593626
Energy: 0.8101101591317631
Energy: 0.657410619457838
Energy: 0.8101101591383697

minimum gb energy = 0.6574106194573298 eV
minimum distance =  2.27746881687104 Angstroms
sigma value = 81


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

Energy: 0.33171630373051814
Energy: 0.3794586906760459
Energy: 0.026169706724406203
Energy: 0.3794586906760459
Energy: 0.33171630373051814
Energy: 0.3794586906760459
Energy: 0.9027316512453076
Energy: 0.027553026502915173
Energy: 0.9027316512453076
Energy: 0.027553026501090382
Energy: 0.9027316512453076
Energy: 0.02755302650478241
Energy: 0.3793618885355605
Energy: 0.026937671525450655
Energy: 0.37936188853369335
Energy: 0.02693767152358342
Energy: 0.37936188853182606
Energy: 0.026937671527317884
Energy: 0.026169706724406203
Energy: 0.37945869067791316
Energy: 0.026169706724406203
Energy: 0.37945869067791316
Energy: 0.026169706724406203
Energy: 0.37945869067791316
Energy: 0.9027316512434405
Energy: 0.027553026502915173
Energy: 0.9027316512434405
Energy: 0.027553026501090382
Energy: 0.9027316512434405
Energy: 0.027553026502915173
Energy: 0.3793618885355605
Energy: 0.026937671527317884
Energy: 0.37936188853369335
Energy: 0.026937671527317884
Energy: 0.3793618885355605
Energy: 0.026937671529185116
Energy: 0.33171630373238536
Energy: 0.37945869067791316
Energy: 0.026169706724406203
Energy: 0.37945869067791316
Energy: 0.33171630373238536
Energy: 0.37945869067791316
Energy: 0.9027316512453076
Energy: 0.027553026502915173
Energy: 0.9027316512434405
Energy: 0.027553026501090382
Energy: 0.9027316512453076
Energy: 0.027553026502915173
Energy: 0.37936188853742775
Energy: 0.026937671527317884
Energy: 0.37936188853369335
Energy: 0.026937671527317884
Energy: 0.3793618885355605
Energy: 0.026937671529185116
Energy: 0.026169706724406203
Energy: 0.3794586906760459
Energy: 0.026169706724406203
Energy: 0.3794586906760459
Energy: 0.02616970672627343
Energy: 0.3794586906760459

minimum gb energy = 0.026169706724406203 eV
minimum distance =  2.44456506539513 Angstroms
sigma value = 3


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

Energy: 0.706805305740334
Energy: 0.6858507960713399
Energy: 0.7068053057408927
Energy: 0.6858507960702223
Energy: 0.7068053057408927
Energy: 0.6858507960702223
Energy: 0.5968634400603364
Energy: 0.6777975096812415
Energy: 0.5968634400608952
Energy: 0.6777975096812415
Energy: 0.5968634400586601
Energy: 0.6777975096818003
Energy: 0.7532376045089855
Energy: 0.6782092093652797
Energy: 0.6934524590454023
Energy: 0.6782092093652797
Energy: 0.6934524590459612
Energy: 0.6782092093652797
Energy: 0.7214053875972023
Energy: 0.657322705254161
Energy: 0.7214053875888206
Energy: 0.6573227052558372
Energy: 0.721405387600555
Energy: 0.6573227052552785
Energy: 0.5874907622564248
Energy: 0.6800300791348317
Energy: 0.5874907622581012
Energy: 0.6800300791353905
Energy: 0.5874907622558662
Energy: 0.6800300791348317
Energy: 0.6958408233860632
Energy: 0.6883080272582044
Energy: 0.6958408233871808
Energy: 0.6883080272576455
Energy: 0.695840823386622
Energy: 0.6883080272576455
Energy: 0.6829457847638399
Energy: 0.6651125568346734
Energy: 0.6829457847632813
Energy: 0.6651125568363498
Energy: 0.6829457847638399
Energy: 0.6651125568357911
Energy: 0.5824385966624909
Energy: 0.6820982822341203
Energy: 0.5824385966636083
Energy: 0.6820982822335615
Energy: 0.5824385966647259
Energy: 0.6820982822330028
Energy: 0.709154595378171
Energy: 0.6968633675031997
Energy: 0.709154595378171
Energy: 0.6968633675015232
Energy: 0.7091545953776124
Energy: 0.696863367502082
Energy: 0.6475372517111718
Energy: 0.6372474994104919
Energy: 0.647537251713407
Energy: 0.6372474994110505
Energy: 0.647537251710613
Energy: 0.6372474994099331
Energy: 0.6248222932991807
Energy: 0.6713259975811325
Energy: 0.6248222933002984
Energy: 0.6713259975805738
Energy: 0.6248222933002984
Energy: 0.671325997582758
Energy: 0.7260934947644082
Energy: 0.7333893638851194
Energy: 0.726093494764967
Energy: 0.733389363884002
Energy: 0.7260934947638495
Energy: 0.7333893638851194
Energy: 0.6800401979345262
Energy: 0.6000957838928906
Energy: 0.680040197935085
Energy: 0.6000957838923319
Energy: 0.6800401979345262
Energy: 0.6000957838923319
Energy: 0.6518734037114821
Energy: 0.7116439620561815
Energy: 0.6518734037131584
Energy: 0.7116439620572991
Energy: 0.6518734037125996
Energy: 0.7116439620556227
Energy: 0.6896600745840327
Energy: 0.7116366164886365
Energy: 0.6896600745851503
Energy: 0.7116366164886365
Energy: 0.6896600745840327
Energy: 0.711636616487519
Energy: 0.6829264748027669
Energy: 0.5892339503421709
Energy: 0.6829264748022081
Energy: 0.5892339503421709
Energy: 0.6829264748027669
Energy: 0.5892339503432884
Energy: 0.6845347685235939
Energy: 0.7314791765032889
Energy: 0.6845347685230352
Energy: 0.7314791765021713
Energy: 0.6845347685224764
Energy: 0.7314791765010539
Energy: 0.677184909868078
Energy: 0.6701447818754573
Energy: 0.6771849098703131
Energy: 0.6701447818765749
Energy: 0.6771849098686368
Energy: 0.6701447818760161
Energy: 0.6843649475009062
Energy: 0.6505927987183759
Energy: 0.6843649474992299
Energy: 0.6505927987217286
Energy: 0.6843649475003474
Energy: 0.6505927987189347
Energy: 0.5133040786380503
Energy: 0.7516750803940552
Energy: 0.5133040786408442
Energy: 0.7516750803940552
Energy: 0.5133040786492258
Energy: 0.7516750803940552
Energy: 0.690902664749382
Energy: 0.49831509861464385
Energy: 0.6909026647499409
Energy: 0.4983150986163201
Energy: 0.6909026647499409
Energy: 0.49831509861687884
Energy: 0.6537492206704983
Energy: 0.6604397649277864
Energy: 0.6537492206677045
Energy: 0.660439764928904
Energy: 0.6537492206710571
Energy: 0.660439764928904
Energy: 0.6806172931173227
Energy: 0.6542166273609334
Energy: 0.6806172931184402
Energy: 0.6542166273603746
Energy: 0.6806172931173227
Energy: 0.6542166273603746
Energy: 0.6906988279920139
Energy: 0.6560889915652222
Energy: 0.6906988279920139
Energy: 0.6560889915652222
Energy: 0.6906988279914552
Energy: 0.6560889915663398
Energy: 0.6751620965389111
Energy: 0.6929549595195491
Energy: 0.6751620965383524
Energy: 0.6929549595184316
Energy: 0.6751620965383524
Energy: 0.6929549595195491
Energy: 0.6759534863392038
Energy: 0.6743876492977552
Energy: 0.675953486338645
Energy: 0.6743876492966376
Energy: 0.6759534863380863
Energy: 0.6743876492977552
Energy: 0.7683693142339028
Energy: 0.5765413897252623
Energy: 0.7683693142322263
Energy: 0.5765413897241446
Energy: 0.7683693142339028
Energy: 0.5765413897263798
Energy: 0.6909765973425258
Energy: 0.7161340654783546
Energy: 0.6909765973425258
Energy: 0.7161340654783546
Energy: 0.6909765973469959
Energy: 0.7161340654789133
Energy: 0.6646829677074693
Energy: 0.6790880760721757
Energy: 0.6646829677074693
Energy: 0.6790880760716169
Energy: 0.6646829677074693
Energy: 0.6790880760716169
Energy: 0.7754297822957869
Energy: 0.6203296012352131
Energy: 0.7754297822941104
Energy: 0.6203296012374481
Energy: 0.7754297822946693
Energy: 0.6203296012352131
Energy: 0.736568265404945
Energy: 0.7092003026844833
Energy: 0.7365682654060625
Energy: 0.7092003026844833
Energy: 0.7365682654066212
Energy: 0.7092003026844833
Energy: 0.6341583397938443
Energy: 0.6720962522655711
Energy: 0.6341583397921681
Energy: 0.6720962522661299
Energy: 0.6341583397921681
Energy: 0.6720962522650124
Energy: 0.7140797881160832
Energy: 0.6913349399865137
Energy: 0.7140797881127305
Energy: 0.6913349399853962
Energy: 0.7140797881149656
Energy: 0.691334939985955

minimum gb energy = 0.49831509861464385 eV
minimum distance =  2.32979835971319 Angstroms
sigma value = 67


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

Energy: 0.9254135719091793
Energy: 0.8590883432630505
Energy: 0.9254135719099753
Energy: 0.8590883432646428
Energy: 0.9254135719091793
Energy: 0.859088343265439
Energy: 0.8552219033887565
Energy: 0.8736827476261623
Energy: 0.8552219033871641
Energy: 0.8736827476253659
Energy: 0.8552219033879602
Energy: 0.8736827476261623
Energy: 0.9016314708346324
Energy: 0.8846382935983849
Energy: 0.9016314708362249
Energy: 0.884638293599181
Energy: 0.9016314708354287
Energy: 0.8846382935999771
Energy: 0.9009907187194569
Energy: 0.8705756508585112
Energy: 0.9009907187186605
Energy: 0.870575650857715
Energy: 0.9009907187178645
Energy: 0.8705756508593073
Energy: 0.7777277320152644
Energy: 0.835672377666268
Energy: 0.7777277320144681
Energy: 0.8356723776646755
Energy: 0.7777277320144681
Energy: 0.8356723776694527
Energy: 0.9020496938391478
Energy: 0.8848432819859919
Energy: 0.9020496938391478
Energy: 0.8848432819851958
Energy: 0.9020496938391478
Energy: 0.8848432819843994
Energy: 0.8384348498328059
Energy: 0.8431510809619758
Energy: 0.838434849829621
Energy: 0.8431510809587909
Energy: 0.8384348498288249
Energy: 0.8431510809579947
Energy: 0.8326167150447019
Energy: 0.8215470885852689
Energy: 0.8326167150462944
Energy: 0.8215470885852689
Energy: 0.8326167150454981
Energy: 0.8215470885852689
Energy: 0.926492171604678
Energy: 0.9380951189680555
Energy: 0.926492171604678
Energy: 0.9380951189672593
Energy: 0.9264921716062704
Energy: 0.9380951189664631
Energy: 0.8738545272553878
Energy: 0.7934799218151048
Energy: 0.8738545272561842
Energy: 0.7934799218103276
Energy: 0.8738545272553878
Energy: 0.7934799218182895
Energy: 0.87492073077047
Energy: 0.8920647071770423
Energy: 0.8749207307688776
Energy: 0.892064707176246
Energy: 0.8749207307688776
Energy: 0.8920647071770423
Energy: 0.8554783512811116
Energy: 0.8875167018038874
Energy: 0.855478351278723
Energy: 0.8875167018046836
Energy: 0.8554783512795192
Energy: 0.8875167018062758
Energy: 0.8734210842024758
Energy: 0.8462793971088255
Energy: 0.8734210842024758
Energy: 0.8462793971088255
Energy: 0.8734210842040682
Energy: 0.8462793971088255
Energy: 0.8602121880397141
Energy: 0.902918071937749
Energy: 0.860212188038918
Energy: 0.9029180719345641
Energy: 0.860212188038918
Energy: 0.9029180719361565
Energy: 0.8459363313411769
Energy: 0.8474837094230682
Energy: 0.8459363313403807
Energy: 0.847483709422272
Energy: 0.8459363313403807
Energy: 0.847483709422272
Energy: 0.8967222712016243
Energy: 0.8606682022814635
Energy: 0.8967222712024204
Energy: 0.8606682022814635
Energy: 0.896722271200828
Energy: 0.8606682022806674
Energy: 0.8859375665017422
Energy: 0.8906472791772609
Energy: 0.8859375665009459
Energy: 0.8906472791764648
Energy: 0.8859375665017422
Energy: 0.8906472791764648
Energy: 0.8492150024937852
Energy: 0.8341207292696896
Energy: 0.8492150024929891
Energy: 0.8341207292696896
Energy: 0.8492150024906006
Energy: 0.8341207292712818
Energy: 0.87982422132438
Energy: 0.9049295316761788
Energy: 0.8798242213259724
Energy: 0.904929531676975
Energy: 0.8798242213267686
Energy: 0.9049295316761788
Energy: 0.7780135627705159
Energy: 0.8863958938855357
Energy: 0.778013562766535
Energy: 0.8863958938863319
Energy: 0.7780135627681274
Energy: 0.8863958938855357
Energy: 0.9216588569400649
Energy: 0.8493648115607862
Energy: 0.9216588569392687
Energy: 0.8493648115591941
Energy: 0.9216588569400649
Energy: 0.8493648115576016
Energy: 0.9142104711978993
Energy: 0.940442478141637
Energy: 0.9142104711939184
Energy: 0.9404424781448217
Energy: 0.9142104711963069
Energy: 0.9404424781448217
Energy: 0.7911001679645552
Energy: 0.8866251586451498
Energy: 0.7911001679621665
Energy: 0.8866251586443537
Energy: 0.7911001679653512
Energy: 0.8866251586451498

minimum gb energy = 0.7777277320144681 eV
minimum distance =  2.33302139731001 Angstroms
sigma value = 33


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

Energy: 1.0473995338709443
Energy: 0.9733673483116593
Energy: 1.04739953387448
Energy: 0.9733673483106491
Energy: 1.0473995338734698
Energy: 0.9733673483106491
Energy: 0.9694296110456734
Energy: 0.9919914300569537
Energy: 0.9694296110446632
Energy: 0.9919914300554386
Energy: 0.969429611043653
Energy: 0.9919914300569537
Energy: 1.0187577674314783
Energy: 1.0006311896516347
Energy: 1.0187577674324886
Energy: 1.0006311896516347
Energy: 1.0187577674329935
Energy: 1.0006311896521396
Energy: 1.0243766793852844
Energy: 0.9981722893058905
Energy: 1.0243766793842743
Energy: 0.9981722893058905
Energy: 1.0243766793852844
Energy: 0.9981722893063956
Energy: 0.9859832785649164
Energy: 0.9916123902709012
Energy: 0.9859832785654216
Energy: 0.9916123902714062
Energy: 0.985983278563401
Energy: 0.9916123902709012
Energy: 1.079038339720573
Energy: 1.0989124605715364
Energy: 1.079038339720573
Energy: 1.0756097744168125
Energy: 1.0790383397200676
Energy: 1.0756097744168125
Energy: 0.9707168837971284
Energy: 0.9545977599901585
Energy: 0.9707168837976334
Energy: 0.9545977599911686
Energy: 0.9707168837966234
Energy: 0.9545977599896535
Energy: 1.0345114799604653
Energy: 1.0275692244246084
Energy: 1.0345114799614754
Energy: 1.0275692244256187
Energy: 1.0345114799629909
Energy: 1.0275692244261239
Energy: 1.0240232011079
Energy: 1.037902960986568
Energy: 1.0240232011058796
Energy: 1.037902960986568
Energy: 1.0240232011053745
Energy: 1.0379029609870731
Energy: 1.0370440899370559
Energy: 0.9968931647544194
Energy: 1.0370440899360458
Energy: 0.9551207303759249
Energy: 1.037044089938066
Energy: 0.9551207303779453
Energy: 1.0300759439861347
Energy: 0.9977427768093666
Energy: 1.0300759439851246
Energy: 0.9977427768103767
Energy: 1.0300759439856297
Energy: 0.9977427768083563
Energy: 0.968925996951775
Energy: 0.9799909466900308
Energy: 0.9689259969558155
Energy: 0.9799909466895258
Energy: 0.968925996951775
Energy: 0.979990946690536
Energy: 1.0365949081966628
Energy: 0.9728042829879411
Energy: 1.0365949081956527
Energy: 0.9728042829879411
Energy: 1.0365949081966628
Energy: 0.972804282986931
Energy: 0.9756724536655073
Energy: 1.0045915325691792
Energy: 0.9756724536670224
Energy: 1.0045915325696844
Energy: 0.9756724536675274
Energy: 1.0045915325701893
Energy: 1.0005932048187884
Energy: 0.9936303086985151
Energy: 1.0005932048192936
Energy: 0.9936303086985151
Energy: 1.0005932048177784
Energy: 0.9936303086980098
Energy: 1.0230997259786996
Energy: 1.0250341950125295
Energy: 1.0230997259781944
Energy: 1.0250341950125295
Energy: 1.0230997259792045
Energy: 1.0250341950125295
Energy: 0.9257803940445057
Energy: 1.001761678924212
Energy: 0.9257803940470313
Energy: 1.001761678923202
Energy: 0.9257803940485005
Energy: 1.001761678924212
Energy: 1.0509715612380808
Energy: 1.0646400038749764
Energy: 1.0509715612370707
Energy: 1.0646400038764916
Energy: 1.050971561239596
Energy: 1.0646400038749764
Energy: 0.9563796774127048
Energy: 1.0373912986102292
Energy: 0.9563796774152303
Energy: 1.0373912986122495
Energy: 0.9563796774106844
Energy: 1.0373912986107343
Energy: 0.9785509392142879
Energy: 1.000576536239524
Energy: 0.9785509392158034
Energy: 1.000576536240029
Energy: 0.9785509392117626
Energy: 1.000576536240534
Energy: 1.0169383242056595
Energy: 1.02872936183873
Energy: 1.0169383242076797
Energy: 1.028729361840245
Energy: 1.0169383242086898
Energy: 1.0287293618397402
Energy: 0.983833245748825
Energy: 0.9648266786877093
Energy: 0.983833245748825
Energy: 0.9648266786882145
Energy: 0.9838332457493301
Energy: 0.9648266786882145
Energy: 1.0130253999657977
Energy: 0.9979787527786964
Energy: 1.0130253999652925
Energy: 0.9979787527802116
Energy: 1.0130253999622623
Energy: 0.9979787527792016
Energy: 1.0337380932697535
Energy: 0.9742266355060735
Energy: 1.033738093266723
Energy: 0.9742266355060735
Energy: 1.0337380932682383
Energy: 0.9742266355055684
Energy: 0.968094881931606
Energy: 1.0094154474882344
Energy: 0.968094881932111
Energy: 1.0094154474897497
Energy: 0.9680948819336265
Energy: 1.0094154474892447
Energy: 1.0120582191999463
Energy: 1.0199418415823815
Energy: 1.0120582192014616
Energy: 1.0199418415828867
Energy: 1.0120582192024719
Energy: 1.019941841584402
Energy: 0.9703672731074324
Energy: 0.9660080073749479
Energy: 0.9703672731023815
Energy: 0.9660080073744427
Energy: 0.9703672731038969
Energy: 0.966008007375958
Energy: 1.0185431903133964
Energy: 1.091752808641995
Energy: 1.0185431903118811
Energy: 1.0917528086425001
Energy: 1.0185431903139013
Energy: 1.091752808641995
Energy: 0.9774607815221116
Energy: 0.9895463205549884
Energy: 0.9774607815205963
Energy: 0.9895463205549884
Energy: 0.9774607815221116
Energy: 0.9895463205544832
Energy: 0.956612108496564
Energy: 0.9500848319407511
Energy: 0.9566121084955538
Energy: 0.9500848319412561
Energy: 0.9566121084980793
Energy: 0.9500848319412561
Energy: 1.080760412568065
Energy: 1.0667051325669106
Energy: 1.0807604125665498
Energy: 1.0667051325669106
Energy: 1.0807604125675598
Energy: 1.0667051325669106
Energy: 0.9929309192990632
Energy: 0.9992793606704065
Energy: 0.9929309192990632
Energy: 0.9992793606709116
Energy: 0.9929309192970429
Energy: 0.9992793606709116
Energy: 1.0265865242970285
Energy: 1.0244840455029827
Energy: 1.0265865242990488
Energy: 1.0244840455029827
Energy: 1.0265865242960184
Energy: 1.0244840455039927
Energy: 0.9948087862258348
Energy: 0.9935886221165656
Energy: 0.9948087862278552
Energy: 0.9935886221165656
Energy: 0.9948087862253298
Energy: 0.9935886221155554
Energy: 0.9737922945214341
Energy: 1.0015020426522465
Energy: 0.9737922945239595
Energy: 1.0015020426522465
Energy: 0.9737922945229494
Energy: 1.0015020426527517
Energy: 1.0488081940057092
Energy: 0.9705317211192215
Energy: 1.0488081940067193
Energy: 0.9705317211192215
Energy: 1.0488081940062142
Energy: 0.9705317211187164
Energy: 0.9720741217768932
Energy: 0.9867101272639858
Energy: 0.9720741217763882
Energy: 0.9867101272634806
Energy: 0.9720741217753781
Energy: 0.9867101272649959

minimum gb energy = 0.9257803940445057 eV
minimum distance =  2.316318807498 Angstroms
sigma value = 41


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

Energy: 1.2160090392276315
Energy: 1.1765884296295095
Energy: 1.2160090392276315
Energy: 1.1765884296295095
Energy: 1.2160090392276315
Energy: 1.1765884296295095
Energy: 1.1466561384840195
Energy: 1.193832497789881
Energy: 1.1466561384853984
Energy: 1.193832497789881
Energy: 1.1466561384826404
Energy: 1.193832497787123
Energy: 1.3195353229728464
Energy: 1.1736265280546754
Energy: 1.2690701542810754
Energy: 1.1736265280546754
Energy: 1.2690701542810754
Energy: 1.1736265280546754
Energy: 1.2068867417939848
Energy: 1.2342751158457832
Energy: 1.2068867417953637
Energy: 1.2342751158457832
Energy: 1.2068867417926057
Energy: 1.2342751158471625
Energy: 1.1393734878776227
Energy: 1.17079724103739
Energy: 1.1393734878776227
Energy: 1.170797241036011
Energy: 1.1393734878762438
Energy: 1.170797241036011
Energy: 1.3081717870786365
Energy: 1.2608285876864667
Energy: 1.3081717870786365
Energy: 1.2608285876864667
Energy: 1.3081717870786365
Energy: 1.2608285876864667
Energy: 1.2053319364250736
Energy: 1.125636962150603
Energy: 1.2053319364264528
Energy: 1.125636962151982
Energy: 1.2053319364250736
Energy: 1.125636962151982
Energy: 1.2125442171207783
Energy: 1.1799105514912687
Energy: 1.2125442171207783
Energy: 1.1799105514898895
Energy: 1.2125442171207783
Energy: 1.1799105514898895
Energy: 1.1518713984108706
Energy: 1.1473012536593312
Energy: 1.1518713984122497
Energy: 1.1473012536607106
Energy: 1.1518713984108706
Energy: 1.1473012536593312
Energy: 1.20686549861366
Energy: 1.1893090637608683
Energy: 1.206865498615039
Energy: 1.1893090637608683
Energy: 1.20686549861366
Energy: 1.1893090637608683
Energy: 1.1471758646405232
Energy: 1.1741417221528394
Energy: 1.1471758646405232
Energy: 1.17414172215146
Energy: 1.1471758646391443
Energy: 1.1741417221528394
Energy: 1.2031113605623174
Energy: 1.1961488830504226
Energy: 1.2031113605636963
Energy: 1.1961488830490432
Energy: 1.2031113605636963
Energy: 1.1961488830490432
Energy: 1.2240414615258788
Energy: 1.2339790216093702
Energy: 1.2240414615258788
Energy: 1.2339790216093702
Energy: 1.2240414615231208
Energy: 1.2339790216079913
Energy: 1.1419051571709424
Energy: 1.17926959251297
Energy: 1.1419051571709424
Energy: 1.17926959251297
Energy: 1.1419051571709424
Energy: 1.1792695925115908

minimum gb energy = 1.125636962150603 eV
minimum distance =  2.29461291030497 Angstroms
sigma value = 11


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

Energy: 1.4338446972020782
Energy: 1.3861375248933387
Energy: 1.4338446972020782
Energy: 1.3861375248933387
Energy: 1.4338446972014722
Energy: 1.3861375248933387
Energy: 1.2686421842903464
Energy: 1.3336435227327503
Energy: 1.2686421842903464
Energy: 1.3336435227321444
Energy: 1.2686421842903464
Energy: 1.3336435227321444
Energy: 1.4096499419652846
Energy: 1.3387579355318988
Energy: 1.4096499419677078
Energy: 1.3387579355325048
Energy: 1.3499332618563338
Energy: 1.3387579355312929
Energy: 1.3356768732547368
Energy: 1.2849125753081823
Energy: 1.3356768732535254
Energy: 1.2849125753081823
Energy: 1.3356768732541309
Energy: 1.2849125753087882
Energy: 1.364507321149725
Energy: 1.3223351367368856
Energy: 1.3645073211479077
Energy: 1.3223351367362797
Energy: 1.364507321149725
Energy: 1.3223351367368856
Energy: 1.3195867745131227
Energy: 1.3716134139147969
Energy: 1.3195867745131227
Energy: 1.3716134139141911
Energy: 1.3195867745137284
Energy: 1.3716134139141911
Energy: 1.329647799734809
Energy: 1.3138808368833363
Energy: 1.329647799734203
Energy: 1.3138808368827306
Energy: 1.329647799735415
Energy: 1.3138808368827306
Energy: 1.325982875266613
Energy: 1.3315549696435658
Energy: 1.325982875267219
Energy: 1.3315549696435658
Energy: 1.3259828752678244
Energy: 1.3315549696441717
Energy: 1.3434312971446936
Energy: 1.3282284534778521
Energy: 1.3434312971440878
Energy: 1.3282284534778521
Energy: 1.3434312971446936
Energy: 1.3282284534778521
Energy: 1.3217796704566704
Energy: 1.3495714385043287
Energy: 1.321779670455459
Energy: 1.3495714385043287
Energy: 1.3217796704572762
Energy: 1.3495714385043287
Energy: 1.3218995694046056
Energy: 1.3265139265924577
Energy: 1.3218995694027884
Energy: 1.3265139265924577
Energy: 1.321899569404
Energy: 1.3265139265918517
Energy: 1.3502709443103649
Energy: 1.3479593176935096
Energy: 1.3502709443103649
Energy: 1.3479593176916922
Energy: 1.3502709443103649
Energy: 1.3479593176922982
Energy: 1.3383267626731825
Energy: 1.3101714242649074
Energy: 1.3383267626731825
Energy: 1.310171424263696
Energy: 1.3383267626731825
Energy: 1.3101714242655131
Energy: 1.3377980806533476
Energy: 1.352546790146011
Energy: 1.337798080655165
Energy: 1.352546790146011
Energy: 1.3377980806527419
Energy: 1.352546790146011
Energy: 1.3119313241476285
Energy: 1.3227398931732137
Energy: 1.31193132414884
Energy: 1.3227398931732137
Energy: 1.3119313241482344
Energy: 1.322739893172608
Energy: 1.3320970778785974
Energy: 1.3148902936688343
Energy: 1.3320970778773857
Energy: 1.3148902936688343
Energy: 1.3320970778773857
Energy: 1.31489029366944
Energy: 1.2926581866278355
Energy: 1.324367207465385
Energy: 1.292658186629047
Energy: 1.324367207465385
Energy: 1.2926581866272298
Energy: 1.324367207464779
Energy: 1.3848096179410987
Energy: 1.362245237893977
Energy: 1.384809617940493
Energy: 1.3622452378933712
Energy: 1.3848096179410987
Energy: 1.3622452378964
Energy: 1.3045753635274573
Energy: 1.253207031831936
Energy: 1.304575363528669
Energy: 1.25320703183133
Energy: 1.304575363528669
Energy: 1.2532070318325417
Energy: 1.3176914334924
Energy: 1.3249184148559836
Energy: 1.3176914334905823
Energy: 1.3249184148559836
Energy: 1.317691433488765
Energy: 1.3249184148559836
Energy: 1.2880164144837787
Energy: 1.3085923695053585
Energy: 1.2880164144837787
Energy: 1.3085923695029351
Energy: 1.2880164144849902
Energy: 1.3085923695053585
Energy: 1.3829558917848193
Energy: 1.3728719631489013
Energy: 1.3829558917842133
Energy: 1.3728719631476896
Energy: 1.3829558917854248
Energy: 1.3728719631489013
Energy: 1.3342059733675022
Energy: 1.3384777868639635
Energy: 1.3342059733656848
Energy: 1.338477786864569
Energy: 1.3342059733638671
Energy: 1.3384777868639635
Energy: 1.3807011542790306
Energy: 1.334595961888989
Energy: 1.3807011542790306
Energy: 1.3345959618877778
Energy: 1.3807011542790306
Energy: 1.3345959618877778
Energy: 1.3265803620317622
Energy: 1.3292127804084795
Energy: 1.326580362032974
Energy: 1.3292127804084795
Energy: 1.3265803620323682
Energy: 1.3292127804078737
Energy: 1.3095621922187677
Energy: 1.3259729188132732
Energy: 1.309562192218162
Energy: 1.3259729188132732
Energy: 1.3095621922187677
Energy: 1.3259729188138791
Energy: 1.3157361842794495
Energy: 1.3703860997504527
Energy: 1.315736184278844
Energy: 1.3703860997492412
Energy: 1.3157361842794495
Energy: 1.370386099746212
Energy: 1.3520055760771388
Energy: 1.3112331599117586
Energy: 1.3520055760777447
Energy: 1.3112331599117586
Energy: 1.3520055760789562
Energy: 1.3112331599123646
Energy: 1.335084248068789
Energy: 1.3435372055401382
Energy: 1.3350842480681833
Energy: 1.3435372055389267
Energy: 1.3350842480681833
Energy: 1.3435372055401382
Energy: 1.3121011740460724
Energy: 1.259571289193259
Energy: 1.3121011740448607
Energy: 1.259571289193259
Energy: 1.312101174064825
Energy: 1.2595712891926532
Energy: 1.3158655888460151
Energy: 1.3815581314355552
Energy: 1.3158655888460151
Energy: 1.3815581314367669
Energy: 1.3158655888454094
Energy: 1.3815581314361611

minimum gb energy = 1.25320703183133 eV
minimum distance =  2.26881227930521 Angstroms
sigma value = 57


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

Energy: 1.2891574894644984
Energy: 1.270762326456885
Energy: 1.2891574894634203
Energy: 1.270762326456885
Energy: 1.2891574894644984
Energy: 1.270762326456885
Energy: 1.3507937655892703
Energy: 1.4324044896995158
Energy: 1.3507937655914264
Energy: 1.4324044896995158
Energy: 1.3507937655925046
Energy: 1.4324044896984378
Energy: 1.3617965584962932
Energy: 1.3403544632353757
Energy: 1.3617965584887468
Energy: 1.3403544632364537
Energy: 1.3617965584952152
Energy: 1.3403544632364537
Energy: 1.29046893871187
Energy: 1.3780337879053095
Energy: 1.290468938712948
Energy: 1.286944680099608
Energy: 1.29046893871187
Energy: 1.3104715101926339
Energy: 1.3617097983332256
Energy: 1.340403439957926
Energy: 1.3617097983321476
Energy: 1.340403439957926
Energy: 1.3617097983321476
Energy: 1.340403439957926
Energy: 1.3508266522387031
Energy: 1.2611890148587794
Energy: 1.3508266522397812
Energy: 1.2611890148566234
Energy: 1.3508266522397812
Energy: 1.2611890148566234
Energy: 1.2891574894644984
Energy: 1.270762326460119
Energy: 1.2891574894644984
Energy: 1.270762326460119
Energy: 1.2891574894644984
Energy: 1.2707623264611971
Energy: 1.3507937655935827
Energy: 1.432404489703828
Energy: 1.3507937655925046
Energy: 1.4324044897027501
Energy: 1.3507937655935827
Energy: 1.4324044896995158
Energy: 1.3617965584919811
Energy: 1.3403544632375317
Energy: 1.3617965584962932
Energy: 1.3403544632375317
Energy: 1.3617965584941372
Energy: 1.3403544632364537
Energy: 1.290468938714026
Energy: 1.3242266618534533
Energy: 1.290468938715104
Energy: 1.2527819150040478
Energy: 1.290468938714026
Energy: 1.3290466719331808
Energy: 1.3617097983289135
Energy: 1.3404034399611602
Energy: 1.3617097983289135
Energy: 1.3404034399622384
Energy: 1.3617097983267574
Energy: 1.3404034399622384
Energy: 1.3508266522408592
Energy: 1.2611890148566234
Energy: 1.3508266522376744
Energy: 1.2611890148577016
Energy: 1.3508266522387031
Energy: 1.2611890148598577
Energy: 1.2891574894634203
Energy: 1.270762326456885
Energy: 1.2891574894634203
Energy: 1.270762326456885
Energy: 1.2891574894634203
Energy: 1.270762326456885
Energy: 1.3507937655914264
Energy: 1.4324044897027501
Energy: 1.3507937655914264
Energy: 1.4324044897027501
Energy: 1.3507937655914264
Energy: 1.4324044897005939
Energy: 1.3617965584984495
Energy: 1.3403544632364537
Energy: 1.3617965584919811
Energy: 1.3403544632353757
Energy: 1.3617965584952152
Energy: 1.3403544632364537
Energy: 1.29046893871187
Energy: 1.2527819150018917
Energy: 1.290468938712948
Energy: 1.2527819150029698
Energy: 1.29046893871187
Energy: 1.3242266618556093
Energy: 1.3617097983289135
Energy: 1.3404034399590041
Energy: 1.3617097983321476
Energy: 1.3404034399590041
Energy: 1.3617097983321476
Energy: 1.3404034399590041

minimum gb energy = 1.2527819150018917 eV
minimum distance =  2.30368736850984 Angstroms
sigma value = 9


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

Energy: 1.4126438987969971
Energy: 1.331668483267397
Energy: 1.4126438987969971
Energy: 1.3316684832647565
Energy: 1.4126438987969971
Energy: 1.331668483267397
Energy: 1.3717735325066347
Energy: 1.369546395665104
Energy: 1.371773532507515
Energy: 1.369546395665104
Energy: 1.3717735325048743
Energy: 1.3695463956642238
Energy: 1.3611578189316742
Energy: 1.368534443838288
Energy: 1.3611578189299138
Energy: 1.3685344438391684
Energy: 1.3611578189307942
Energy: 1.368534443838288
Energy: 1.3450747224791069
Energy: 1.4493987395298717
Energy: 1.3450747224782267
Energy: 1.4493987395298717
Energy: 1.345074722479987
Energy: 1.4493987395289916
Energy: 1.3617025490708339
Energy: 1.3878128867677952
Energy: 1.3617025490690737
Energy: 1.3878128867677952
Energy: 1.3617025490690737
Energy: 1.3878128867669148
Energy: 1.3750914891190529
Energy: 1.3727716636010592
Energy: 1.3750914891199328
Energy: 1.3727716636010592
Energy: 1.3750914891190529
Energy: 1.3727716636010592
Energy: 1.355455261911331
Energy: 1.378210099375952
Energy: 1.3554552619130913
Energy: 1.3782100993777124
Energy: 1.355455261911331
Energy: 1.3782100993768325
Energy: 1.3484340282233185
Energy: 1.402213958561158
Energy: 1.348434028220678
Energy: 1.4022139585620381
Energy: 1.348434028221558
Energy: 1.4022139585602778
Energy: 1.4704497057509347
Energy: 1.4158519599715207
Energy: 1.470449705752695
Energy: 1.4158519599715207
Energy: 1.470449705752695
Energy: 1.415851959973281
Energy: 1.3576612117966678
Energy: 1.3520940412929132
Energy: 1.3576612117966678
Energy: 1.352094041292033
Energy: 1.3576612117966678
Energy: 1.3520940412929132
Energy: 1.3341672968906346
Energy: 1.367692520957985
Energy: 1.3341672968897542
Energy: 1.367692520957985
Energy: 1.334167296888874
Energy: 1.3676925209597455
Energy: 1.4322690362490806
Energy: 1.3740840214508956
Energy: 1.4322690362490806
Energy: 1.3740840214508956
Energy: 1.43226903624732
Energy: 1.3740840214517756
Energy: 1.3671055075861027
Energy: 1.4070711497637525
Energy: 1.3671055075852223
Energy: 1.4070711497637525
Energy: 1.3671055075843423
Energy: 1.4070711497637525
Energy: 1.3630697572227761
Energy: 1.356270818277818
Energy: 1.3630697572245365
Energy: 1.356270818277818
Energy: 1.3630697572227761
Energy: 1.356270818277818
Energy: 1.4451174624884207
Energy: 1.36051368109044
Energy: 1.4451174624875405
Energy: 1.36051368109044
Energy: 1.4451174624875405
Energy: 1.3605136810895595
Energy: 1.421634025165852
Energy: 1.3681286576345795
Energy: 1.421634025165852
Energy: 1.3681286576336993
Energy: 1.421634025165852
Energy: 1.3681286576345795
Energy: 1.4041898625988367
Energy: 1.3670245689898135
Energy: 1.4041898625979565
Energy: 1.3670245689906935
Energy: 1.4041898625988367
Energy: 1.3670245689898135
Energy: 1.5159241226066456
Energy: 1.3626504017915841
Energy: 1.5159241226031246
Energy: 1.3626504017907037
Energy: 1.5159241226066456
Energy: 1.3626504017915841
Energy: 1.3519299680599544
Energy: 1.3602073701756185
Energy: 1.3519299680590742
Energy: 1.3602073701756185
Energy: 1.3519299680599544
Energy: 1.360207370177379
Energy: 1.3643324682286646
Energy: 1.329947358619506
Energy: 1.364332468229545
Energy: 1.329947358618626
Energy: 1.3643324682286646
Energy: 1.329947358619506
Energy: 1.4354910537453254
Energy: 1.3897443488054333
Energy: 1.4354910537462056
Energy: 1.3897443488054333
Energy: 1.4354910537444452
Energy: 1.3897443488054333

minimum gb energy = 1.329947358618626 eV
minimum distance =  2.27488365353901 Angstroms
sigma value = 27


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

Energy: 1.3337736468668566
Energy: 1.267238999011496
Energy: 1.3337736468690826
Energy: 1.2672389990122381
Energy: 1.3337736468675985
Energy: 1.267238999011496
Energy: 1.274919630582442
Energy: 1.3063749218300147
Energy: 1.2749196305817
Energy: 1.3063749218300147
Energy: 1.274919630583184
Energy: 1.3063749218307568
Energy: 1.3129627413728042
Energy: 1.2897519350609854
Energy: 1.3129627413720624
Energy: 1.2897519350602433
Energy: 1.3129627413720624
Energy: 1.2897519350602433
Energy: 1.3082623978765866
Energy: 1.3142754956053888
Energy: 1.3082623978780707
Energy: 1.3142754956053888
Energy: 1.3082623978743608
Energy: 1.3142754956046467
Energy: 1.3074601876665926
Energy: 1.2645203281416229
Energy: 1.3074601876658507
Energy: 1.2645203281423651
Energy: 1.3074601876665926
Energy: 1.2645203281423651
Energy: 1.2668230206862316
Energy: 1.338420476377655
Energy: 1.2668230206847477
Energy: 1.338420476376171
Energy: 1.2668230206854896
Energy: 1.338420476377655
Energy: 1.3334867632450256
Energy: 1.2594408941465638
Energy: 1.3334867632450256
Energy: 1.2594408941465638
Energy: 1.3334867632479934
Energy: 1.2594408941465638
Energy: 1.3713933994567846
Energy: 1.3681874692012466
Energy: 1.3713933994567846
Energy: 1.3681874692012466
Energy: 1.3713933994553007
Energy: 1.368187469196795
Energy: 1.2590127236618132
Energy: 1.3382816874425054
Energy: 1.259012723658845
Energy: 1.3382816874395713
Energy: 1.2590127236581032
Energy: 1.3382816874380874
Energy: 1.3090194092160323
Energy: 1.2590092181680512
Energy: 1.3090194092160323
Energy: 1.2590092181680512
Energy: 1.309019409214548
Energy: 1.2590092181680512
Energy: 1.3087867775685302
Energy: 1.2590168186153508
Energy: 1.308786777570756
Energy: 1.2590168186153508
Energy: 1.3087867775648205
Energy: 1.2590168186153508
Energy: 1.2590213921322844
Energy: 1.3386759293007606
Energy: 1.2590213921322844
Energy: 1.3386759292992767
Energy: 1.2590213921308004
Energy: 1.3386759293000188
Energy: 1.3711515096527707
Energy: 1.3681495564664317
Energy: 1.371151509651287
Energy: 1.3681495564671735
Energy: 1.3711515096535127
Energy: 1.3681495564671735
Energy: 1.3335003809542614
Energy: 1.2593718979924555
Energy: 1.3335003809527775
Energy: 1.2593718979931972
Energy: 1.3335003809535193
Energy: 1.2593718979924555
Energy: 1.266801283178687
Energy: 1.3387280925442153
Energy: 1.2668012831794286
Energy: 1.3387280925442153
Energy: 1.266801283177203
Energy: 1.3387280925434735
Energy: 1.3076005355423939
Energy: 1.263311213181436
Energy: 1.3076005355416518
Energy: 1.263311213183662
Energy: 1.3076005355431357
Energy: 1.2633112131792104
Energy: 1.3082560500449611
Energy: 1.3140710105863487
Energy: 1.3082560500442193
Energy: 1.3140710105863487
Energy: 1.3082560500457032
Energy: 1.3140710105856066
Energy: 1.3130147768454208
Energy: 1.2896316113580986
Energy: 1.3130147768454208
Energy: 1.2896316113595825
Energy: 1.3130147768461629
Energy: 1.2896316113595825
Energy: 1.2749514981447403
Energy: 1.3062798603359944
Energy: 1.2749514981439984
Energy: 1.3062798603367365
Energy: 1.2749514981439984
Energy: 1.3062798603337686
Energy: 1.3337736468690826
Energy: 1.2672389990122381
Energy: 1.3337736468668566
Energy: 1.267238999011496
Energy: 1.3337736468683405
Energy: 1.267238999011496
Energy: 1.2749196305817
Energy: 1.306374921828531
Energy: 1.274919630582442
Energy: 1.3063749218292726
Energy: 1.274919630582442
Energy: 1.3063749218314988
Energy: 1.3129627413705784
Energy: 1.2897519350609854
Energy: 1.3129627413713203
Energy: 1.2897519350609854
Energy: 1.3129627413720624
Energy: 1.2897519350617273
Energy: 1.3082623978765866
Energy: 1.3142754956061307
Energy: 1.3082623978773287
Energy: 1.3142754956053888
Energy: 1.3082623978758445
Energy: 1.3142754956046467
Energy: 1.3074601876673346
Energy: 1.2645203281416229
Energy: 1.3074601876665926
Energy: 1.264520328143849
Energy: 1.3074601876680765
Energy: 1.264520328143849
Energy: 1.2668230206862316
Energy: 1.338420476377655
Energy: 1.2668230206854896
Energy: 1.338420476378397
Energy: 1.2668230206869735
Energy: 1.338420476378397

minimum gb energy = 1.2590092181680512 eV
minimum distance =  2.30171284566393 Angstroms
sigma value = 19


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

Energy: 1.3242186173066761
Energy: 1.3285727491692332
Energy: 1.3242186173066761
Energy: 1.3285727491698736
Energy: 1.3242186173085975
Energy: 1.3285727491685926
Energy: 1.320358264218696
Energy: 1.3031299008141946
Energy: 1.3203582642180556
Energy: 1.303129900814835
Energy: 1.320358264218696
Energy: 1.3031299008154755
Energy: 1.3893193802124082
Energy: 1.2675117422679754
Energy: 1.32949249913884
Energy: 1.2675117422667237
Energy: 1.3294924991394803
Energy: 1.267511742267364
Energy: 1.2855837203149132
Energy: 1.3111940382119893
Energy: 1.285583720316194
Energy: 1.311194038211349
Energy: 1.2855837203149132
Energy: 1.311194038210097
Energy: 1.3211571520283996
Energy: 1.3531820417366893
Energy: 1.3211571520264782
Energy: 1.3531820417373297
Energy: 1.3211571520283996
Energy: 1.3531820417379699
Energy: 1.3059074009068328
Energy: 1.2902287037286366
Energy: 1.3059074009061922
Energy: 1.2902287037292772
Energy: 1.3059074009068328
Energy: 1.2902287037286366
Energy: 1.2726377938639133
Energy: 1.4139045892444715
Energy: 1.2726377938626323
Energy: 1.4139045892444715
Energy: 1.272637793863273
Energy: 1.4139045892444715
Energy: 1.30441069711809
Energy: 1.3451262053087631
Energy: 1.3044106971174498
Energy: 1.3451262053081228
Energy: 1.30441069711809
Energy: 1.345126205310044
Energy: 1.3899022476666607
Energy: 1.2657871337694797
Energy: 1.3899022476666607
Energy: 1.2657871337688391
Energy: 1.3899022476660203
Energy: 1.2657871337694797
Energy: 1.3467181595009996
Energy: 1.3121248199748934
Energy: 1.3467181595016398
Energy: 1.3121248199755338
Energy: 1.3467181595022801
Energy: 1.3121248199748934
Energy: 1.2697143788515648
Energy: 1.3428137017261859
Energy: 1.269714378852846
Energy: 1.3428137017268265
Energy: 1.2697143788522054
Energy: 1.3428137017268265
Energy: 1.3262202877286453
Energy: 1.2659851250780012
Energy: 1.3262202877286453
Energy: 1.2659851250780012
Energy: 1.3262202877299263
Energy: 1.2659851250792822
Energy: 1.3154467714695162
Energy: 1.304844886927953
Energy: 1.3154467714688756
Energy: 1.304844886927953
Energy: 1.3154467714682352
Energy: 1.304844886927953
Energy: 1.2856937416770398
Energy: 1.3107769664028122
Energy: 1.2856937416770398
Energy: 1.3107769664028122
Energy: 1.2856937416770398
Energy: 1.3107769664028122
Energy: 1.3399640513786162
Energy: 1.273861977363596
Energy: 1.3399640513818187
Energy: 1.2738619773629554
Energy: 1.3399640513805375
Energy: 1.273861977363596
Energy: 1.3299470034018714
Energy: 1.2672510866250404
Energy: 1.3299470034005902
Energy: 1.2672510866243998
Energy: 1.3299470034018714
Energy: 1.2672510866243998
Energy: 1.2851369517802724
Energy: 1.3218678219276339
Energy: 1.2851369517815532
Energy: 1.3218678219276339
Energy: 1.2851369517809128
Energy: 1.3218678219276339
Energy: 1.3328704081688858
Energy: 1.36668680615681
Energy: 1.3328704081688858
Energy: 1.3666868061561697
Energy: 1.3328704081688858
Energy: 1.36668680615681
Energy: 1.3039858555599169
Energy: 1.2873170395493212
Energy: 1.303985855558636
Energy: 1.2873170395486806
Energy: 1.3039858555592765
Energy: 1.2873170395493212
Energy: 1.290077245297594
Energy: 1.3222178035452365
Energy: 1.290077245297594
Energy: 1.3222178035445962
Energy: 1.2900772452982343
Energy: 1.322217803543956
Energy: 1.2744543079256698
Energy: 1.3438052638898483
Energy: 1.2744543079256698
Energy: 1.3438052638898483
Energy: 1.2744543079263104
Energy: 1.343805263890489
Energy: 1.3931337378511626
Energy: 1.2814011572114519
Energy: 1.393133737850522
Energy: 1.2814011572114519
Energy: 1.393133737851803
Energy: 1.2814011572114519
Energy: 1.3876071646710895
Energy: 1.3185616107782099
Energy: 1.3876071646704489
Energy: 1.3185616107788503
Energy: 1.3876071646704489
Energy: 1.3185616107788503
Energy: 1.3232057339747518
Energy: 1.335777992084136
Energy: 1.323205733975392
Energy: 1.3357779920847763
Energy: 1.323205733975392
Energy: 1.335777992084136
Energy: 1.3093759675087222
Energy: 1.2814186268938665
Energy: 1.3093759675100034
Energy: 1.281418626894507
Energy: 1.3093759675087222
Energy: 1.2814186268932262
Energy: 1.3235744430720515
Energy: 1.2932247538357473
Energy: 1.3235744430720515
Energy: 1.2932247538357473
Energy: 1.3235744430752538
Energy: 1.2932247538351067
Energy: 1.2674826447102154
Energy: 1.316665735080289
Energy: 1.2674826447102154
Energy: 1.3166657350809294
Energy: 1.267482644710856
Energy: 1.3166657350796485
Energy: 1.3365574055149232
Energy: 1.2956093187108755
Energy: 1.3365574055142828
Energy: 1.2956093187108755
Energy: 1.3365574055136424
Energy: 1.2956093187108755
Energy: 1.318667005600478
Energy: 1.2954540211927335
Energy: 1.3186670055985563
Energy: 1.2954540211927335
Energy: 1.3186670055985563
Energy: 1.2954540211920929

minimum gb energy = 1.2657871337688391 eV
minimum distance =  2.273845810295 Angstroms
sigma value = 101


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

Energy: 1.2510029415774662
Energy: 1.3254655181015071
Energy: 1.2510029415780293
Energy: 1.325465518100944
Energy: 1.2510029415769033
Energy: 1.325465518100944
Energy: 1.3196072444087075
Energy: 1.269574466811737
Energy: 1.3196072444070186
Energy: 1.2421074999230204
Energy: 1.3196072444092706
Energy: 1.2421074999235833
Energy: 1.288009238920012
Energy: 1.208804613656324
Energy: 1.2880092389228268
Energy: 1.20880461365745
Energy: 1.2880092389205748
Energy: 1.20880461365745
Energy: 1.20087760837784
Energy: 1.3876165172019295
Energy: 1.20087760837784
Energy: 1.2833637058732936
Energy: 1.2008776083767143
Energy: 1.2833637058732936
Energy: 1.2524163896160896
Energy: 1.2519656197394666
Energy: 1.2524163896177785
Energy: 1.2519656197400295
Energy: 1.2524163896194673
Energy: 1.2519656197400295
Energy: 1.3002448902740666
Energy: 1.2083004855420825
Energy: 1.3002448902740666
Energy: 1.2083004855420825
Energy: 1.3002448902729409
Energy: 1.2083004855426456
Energy: 1.2447374697526519
Energy: 1.292865107299925
Energy: 1.2447374697537779
Energy: 1.292865107301051
Energy: 1.2447374697532148
Energy: 1.292865107301614
Energy: 1.2013626896381968
Energy: 1.428997678086284
Energy: 1.2013626896381968
Energy: 1.2956486241695
Energy: 1.2013626896381968
Energy: 1.2956486241689371
Energy: 1.277468279532642
Energy: 1.2102217502654755
Energy: 1.2774682795298269
Energy: 1.2102217502649124
Energy: 1.2774682795337682
Energy: 1.2102217502660384
Energy: 1.2529604174054905
Energy: 1.286718865861719
Energy: 1.2529604174054905
Energy: 1.314165943361188
Energy: 1.2529604174049274
Energy: 1.3318721522475458
Energy: 1.197752035793793
Energy: 1.4254462802932168
Energy: 1.197752035794919
Energy: 1.4254462802943428
Energy: 1.1977520357943559
Energy: 1.42544628029378
Energy: 1.333336989231407
Energy: 1.2451494182807523
Energy: 1.333336989231407
Energy: 1.2451494182813154
Energy: 1.33333698923197
Energy: 1.2451494182813154
Energy: 1.2781612939739806
Energy: 1.208027293931512
Energy: 1.2781612939734177
Energy: 1.208027293931512
Energy: 1.2781612939745437
Energy: 1.208027293931512
Energy: 1.2512762189172253
Energy: 1.3375842298801082
Energy: 1.251276218915536
Energy: 1.312602049089401
Energy: 1.251276218915536
Energy: 1.3126020490899641
Energy: 1.3182536412751211
Energy: 1.2507084981376038
Energy: 1.3182536412734318
Energy: 1.2507084981376038
Energy: 1.3182536412768098
Energy: 1.2507084981376038
Energy: 1.2883119777137273
Energy: 1.2301154937402567
Energy: 1.288311977712038
Energy: 1.2301154937396939
Energy: 1.288311977712601
Energy: 1.2301154937402567
Energy: 1.1948026683039568
Energy: 1.3078846112754732
Energy: 1.1948026683045199
Energy: 1.3078846112754732
Energy: 1.1948026683039568
Energy: 1.307884611276036
Energy: 1.1933430753548984
Energy: 1.2867375888356944
Energy: 1.1933430753560246
Energy: 1.2867375888334425
Energy: 1.1933430753554615
Energy: 1.2867375888362578
Energy: 1.2751067205007476
Energy: 1.2099171688197858
Energy: 1.2751067205035627
Energy: 1.2099171688197858
Energy: 1.2751067205024367
Energy: 1.2099171688197858
Energy: 1.2426161348072264
Energy: 1.2832171103562324
Energy: 1.2426161348066636
Energy: 1.2832171103567953
Energy: 1.2426161348072264
Energy: 1.2832171103573584
Energy: 1.1984472862102895
Energy: 1.4249823266785386
Energy: 1.1984472862108524
Energy: 1.4249823266779755
Energy: 1.1984472862086004
Energy: 1.4249823266791013
Energy: 1.3205727483745138
Energy: 1.2022234284538327
Energy: 1.3205727483835215
Energy: 1.2022234284515807
Energy: 1.3205727483880256
Energy: 1.2022234284515807
Energy: 1.3160588487598817
Energy: 1.205031931782031
Energy: 1.3160588487615705
Energy: 1.2050319317814682
Energy: 1.3160588487604448
Energy: 1.205031931782031
Energy: 1.2009497610876279
Energy: 1.3177489286277309
Energy: 1.200949761083124
Energy: 1.3177489286271677
Energy: 1.200949761087065
Energy: 1.3177489286271677
Energy: 1.3340059775253843
Energy: 1.2516654547949473
Energy: 1.3340059775265103
Energy: 1.2516654547960735
Energy: 1.3340059775253843
Energy: 1.2516654547932582
Energy: 1.2813187353515507
Energy: 1.2080227729365407
Energy: 1.2813187353504247
Energy: 1.2080227729371038
Energy: 1.2813187353538025
Energy: 1.2080227729359778
Energy: 1.2505172536242015
Energy: 1.2947318201222475
Energy: 1.2505172536225129
Energy: 1.2947318201222475
Energy: 1.2505172536230755
Energy: 1.2947318201222475
Energy: 1.2506804187191771
Energy: 1.3001752538894495
Energy: 1.2506804187197404
Energy: 1.3001752538900124
Energy: 1.2506804187163623
Energy: 1.3001752538894495
Energy: 1.3165392447025526
Energy: 1.224058573859463
Energy: 1.3165392447014266
Energy: 1.2240585738600258
Energy: 1.3165392447014266
Energy: 1.224058573858337
Energy: 1.1938928220997302
Energy: 1.3016693107050374
Energy: 1.1938928221019822
Energy: 1.3016693107056005
Energy: 1.1938928221008562
Energy: 1.3016693107050374
Energy: 1.194694148183056
Energy: 1.2671703539552268
Energy: 1.194694148182493
Energy: 1.267170353954664
Energy: 1.1946941481836189
Energy: 1.267170353953538
Energy: 1.3164229438678432
Energy: 1.20255738229962
Energy: 1.3164229438678432
Energy: 1.202557382299057
Energy: 1.316422943866717
Energy: 1.20255738229962
Energy: 1.3228056560256483
Energy: 1.2054873610446903
Energy: 1.3228056560250854
Energy: 1.2054873610446903
Energy: 1.3228056560284633
Energy: 1.2054873610435644

minimum gb energy = 1.1933430753548984 eV
minimum distance =  2.2882212118891 Angstroms
sigma value = 33


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

Energy: 0.020537874528093792
Energy: 0.9651368018835976
Energy: 0.020537874528093792
Energy: 0.9651368018840656
Energy: 0.020537874528093792
Energy: 0.9651368018844814
Energy: 0.02138672647509253
Energy: 0.37001540532030985
Energy: 0.021386726474624758
Energy: 0.3700154053198421
Energy: 0.02138672647509253
Energy: 0.3700154053198421
Energy: 0.9649861904364386
Energy: 0.3710578155393911
Energy: 0.965033722269779
Energy: 0.3710578155247862
Energy: 0.9648385697400323
Energy: 0.371057815537572
Energy: 0.02138672647644387
Energy: 0.3700154053198421
Energy: 0.021386726475976097
Energy: 0.3700154053194263
Energy: 0.021386726476911637
Energy: 0.3700154053194263

minimum gb energy = 0.020537874528093792 eV
minimum distance =  2.47795776874665 Angstroms
sigma value = 1