Model name: model_name=SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.166686400771141
cohesive_energy=6.879122063701007
mass=95.95
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: 6.87704751902673 eV

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

Energy: 0.017292024520787944
Energy: 0.017292118090974484
Energy: 1.3983201435407935
Energy: 0.017292118090565793
Energy: 0.017292024520787944
Energy: 0.017292118090565793
Energy: 0.017292118090565793
Energy: 3.888336632579366
Energy: 0.017292118090565793
Energy: 3.888336632579366
Energy: 0.017292118090565793
Energy: 3.888336632579366
Energy: 1.3983201435407935
Energy: 0.017292118090565793
Energy: 0.017292024520787944
Energy: 0.017292118090565793
Energy: 1.3983201435407935
Energy: 0.017292118090565793
Energy: 0.017292118090565793
Energy: 3.888336632579366
Energy: 0.017292118090565793
Energy: 3.888336632579366
Energy: 0.017292118090565793
Energy: 3.888336632579366
Energy: 0.017292024520787944
Energy: 0.017292118090565793
Energy: 1.3983201435407935
Energy: 0.017292118090565793
Energy: 0.017292024520787944
Energy: 0.017292118090565793
Energy: 0.017292118090565793
Energy: 3.888336632579366
Energy: 0.017292118090974484
Energy: 3.888336632579366
Energy: 0.017292118090565793
Energy: 3.888336632579366

minimum gb energy = 0.017292024520787944 eV
minimum distance =  2.56356468717424 Angstroms
sigma value = 1


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

Energy: 2.1456283163919263
Energy: 2.039817553119075
Energy: 2.062561412224753
Energy: 2.039817553119075
Energy: 2.1456283163919263
Energy: 2.039817553119075
Energy: 2.0590360164976658
Energy: 2.0020652563453907
Energy: 2.0869172609484106
Energy: 2.0020652563453907
Energy: 2.0590360164976658
Energy: 2.0020652563453907
Energy: 1.971288951555387
Energy: 2.002047026605475
Energy: 2.0869047632319555
Energy: 2.002047026605475
Energy: 1.971288951555387
Energy: 2.002047026605475
Energy: 2.117118605354366
Energy: 2.0760156333582698
Energy: 2.0590347361589334
Energy: 2.0760156333582698
Energy: 2.117118605354366
Energy: 2.0760156333582698
Energy: 2.1171267031682146
Energy: 2.0386502987120108
Energy: 2.0224290063489607
Energy: 2.0386502987120108
Energy: 2.1171267031682146
Energy: 2.0386502987120108
Energy: 2.0869153956886906
Energy: 2.002124043393749
Energy: 1.977826366785738
Energy: 2.0021240433947325
Energy: 2.086915395689674
Energy: 2.0021240433947325
Energy: 2.086914535272086
Energy: 2.0020576200357856
Energy: 1.9712720850203997
Energy: 2.0020576200357856
Energy: 2.086914535272086
Energy: 2.0020576200357856
Energy: 2.1370080154606863
Energy: 2.0386432876576017
Energy: 1.9603566616154
Energy: 2.0386432876576017
Energy: 2.1370080154606863
Energy: 2.0386432876576017
Energy: 2.1171790194518056
Energy: 2.0762640631148965
Energy: 2.0590369936266444
Energy: 2.0762640631148965
Energy: 2.1171790194518056
Energy: 2.0762640631148965
Energy: 2.0868983183631453
Energy: 2.0020453842488948
Energy: 1.977825547768314
Energy: 2.002045384247911
Energy: 2.0868983183631453
Energy: 2.002045384247911
Energy: 2.0793869104648666
Energy: 2.133589806248343
Energy: 2.0869097884782515
Energy: 2.133589806248343
Energy: 2.0793869104648666
Energy: 2.133589806248343
Energy: 1.9603517855136698
Energy: 2.0386504445880127
Energy: 1.960351315364979
Energy: 2.0386504445880127
Energy: 1.9603517855136698
Energy: 2.0386504445880127
Energy: 2.086911606887248
Energy: 2.133589806248343
Energy: 2.044826446309285
Energy: 2.133589806248343
Energy: 2.086911606887248
Energy: 2.133589806248343
Energy: 1.9778257954376444
Energy: 2.002045548313534
Energy: 2.0868997130277678
Energy: 2.002045548314518
Energy: 1.9778257954376444
Energy: 2.002045548313534
Energy: 2.059036138103116
Energy: 2.0762664028420876
Energy: 2.1171807533671885
Energy: 2.0762664028420876
Energy: 2.059036138103116
Energy: 2.0762664028420876
Energy: 1.9603567149452996
Energy: 2.0386597206994903
Energy: 2.1370074171890465
Energy: 2.0386597206994903
Energy: 1.9603567149452996
Energy: 2.0386597206994903
Energy: 1.9712719101322258
Energy: 2.0020568101446305
Energy: 2.086913430846165
Energy: 2.0020568101446305
Energy: 1.9712719101322258
Energy: 2.0020568101446305
Energy: 1.9778243962841393
Energy: 2.0021221375028575
Energy: 2.086914049046949
Energy: 2.0021221375028575
Energy: 1.9778243962841393
Energy: 2.0021221375028575
Energy: 2.117123019029481
Energy: 2.038651276964943
Energy: 2.117124529388771
Energy: 2.038651276964943
Energy: 2.117123019029481
Energy: 2.038651276964943
Energy: 2.0590339543320013
Energy: 2.0760230255955974
Energy: 2.1171197749101984
Energy: 2.0760230255955974
Energy: 2.0590339543320013
Energy: 2.0760230255955974
Energy: 2.0869047281133204
Energy: 2.002046119409917
Energy: 1.9712891087879012
Energy: 2.002046119409917
Energy: 2.0869047281133204
Energy: 2.002046119409917
Energy: 2.08691547413773
Energy: 2.002063892237767
Energy: 2.0590356714845823
Energy: 2.002063892237767
Energy: 2.08691547413773
Energy: 2.002063892237767
Energy: 2.088410376878047
Energy: 2.039817553119075
Energy: 2.1456283163919263
Energy: 2.039817553119075
Energy: 2.088410376878047
Energy: 2.039817553119075

minimum gb energy = 1.960351315364979 eV
minimum distance =  2.41063260587549 Angstroms
sigma value = 33


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

Energy: 2.193249449673303
Energy: 2.2100404730578807
Energy: 2.1130686180558254
Energy: 2.2100404730578807
Energy: 2.193249449673303
Energy: 2.2100404730578807
Energy: 2.1156059714540927
Energy: 2.1591275115316857
Energy: 2.243423976739921
Energy: 2.1591275115316857
Energy: 2.1156059714540927
Energy: 2.1591275115316857
Energy: 2.0562658428260474
Energy: 2.212042464261397
Energy: 2.2665878923870575
Energy: 2.212042464261397
Energy: 2.0562658428260474
Energy: 2.212042464261397
Energy: 2.130847659982751
Energy: 2.20787411694769
Energy: 2.270654016619007
Energy: 2.20787411694769
Energy: 2.130847659982192
Energy: 2.20787411694769
Energy: 2.130840871163181
Energy: 2.167799460529804
Energy: 2.187574859582659
Energy: 2.167799460529804
Energy: 2.130840871163181
Energy: 2.167799460529804
Energy: 2.143934523770291
Energy: 2.167798110850679
Energy: 2.0793826650296108
Energy: 2.167798110850679
Energy: 2.1439345237708505
Energy: 2.167798110850679
Energy: 2.14393476170944
Energy: 2.1678062282783186
Energy: 2.233226616865969
Energy: 2.1678062282783186
Energy: 2.14393476170944
Energy: 2.1678062282783186
Energy: 2.0886159868676404
Energy: 2.1677965278512423
Energy: 2.183458599940381
Energy: 2.1677965278512423
Energy: 2.0886159868676404
Energy: 2.1677965278512423
Energy: 2.1308465786314206
Energy: 2.207872870137657
Energy: 2.242664254710571
Energy: 2.207872870137657
Energy: 2.1308465786314206
Energy: 2.207872870137657
Energy: 2.115644666898131
Energy: 2.2120446597578063
Energy: 2.113213132089641
Energy: 2.2120446597578063
Energy: 2.115644666898131
Energy: 2.2120446597578063
Energy: 2.1246143992861417
Energy: 2.183179782731492
Energy: 2.2706553819528215
Energy: 2.183179782731492
Energy: 2.1246143992861417
Energy: 2.183179782731492
Energy: 2.2667438265060955
Energy: 2.170861653652817
Energy: 2.11942683369359
Energy: 2.170861653652817
Energy: 2.2667438265060955
Energy: 2.170861653652817
Energy: 2.243418688964007
Energy: 2.215312690209356
Energy: 2.12461614667984
Energy: 2.215312690209356
Energy: 2.243418688964007
Energy: 2.215312690209356
Energy: 2.1758261447074934
Energy: 2.2090932581335845
Energy: 2.1782284500059648
Energy: 2.2090932581335845
Energy: 2.1758261447074934
Energy: 2.2090932581335845
Energy: 2.2665886620155704
Energy: 2.167850722555175
Energy: 2.2197865637869407
Energy: 2.167850722555175
Energy: 2.2665886620155704
Energy: 2.167850722555175
Energy: 2.2665895218616083
Energy: 2.167811231076744
Energy: 2.119437136286529
Energy: 2.167811231076744
Energy: 2.2665895218616083
Energy: 2.167811231076744
Energy: 2.2706644811362957
Energy: 2.1678013140562697
Energy: 2.1132119999614805
Energy: 2.1678013140562697
Energy: 2.2706644811362957
Energy: 2.1678013140562697
Energy: 2.2706665770758203
Energy: 2.1591186960688695
Energy: 2.307192210327348
Energy: 2.1591186960688695
Energy: 2.2706665770758203
Energy: 2.1591186960688695
Energy: 2.0794039948975125
Energy: 2.167801649181894
Energy: 2.183458994731441
Energy: 2.167801649181894
Energy: 2.0794039948975125
Energy: 2.167801649181894
Energy: 2.1132378554021836
Energy: 2.207881811951319
Energy: 2.2426665300178033
Energy: 2.207881811951319
Energy: 2.1132378554021836
Energy: 2.207881811951319
Energy: 2.294605432772644
Energy: 2.212030897263577
Energy: 2.0793769942636158
Energy: 2.212030897263577
Energy: 2.2946054327720846
Energy: 2.212030897263577
Energy: 2.1246098094944843
Energy: 2.183238763176167
Energy: 2.270657558937005
Energy: 2.183238763176167
Energy: 2.1246098094944843
Energy: 2.183238763176167
Energy: 2.1132014486682333
Energy: 2.170852366643636
Energy: 2.2301791634464703
Energy: 2.170852366643636
Energy: 2.1132014486682333
Energy: 2.170852366643636
Energy: 2.2706485626198747
Energy: 2.1591126660747366
Energy: 2.243419289630342
Energy: 2.1591126660747366
Energy: 2.2706485626198747
Energy: 2.1591126660747366
Energy: 2.160682892269155
Energy: 2.1678105692208236
Energy: 2.2665752470721627
Energy: 2.1678105692208236
Energy: 2.160682892269155
Energy: 2.1678105692208236
Energy: 2.2737782110608262
Energy: 2.209099001492447
Energy: 2.1461178076279417
Energy: 2.209099001492447
Energy: 2.2737782110608262
Energy: 2.209099001492447
Energy: 2.2737767814998646
Energy: 2.209100729870059
Energy: 2.151779156874397
Energy: 2.209100729870059
Energy: 2.2737767814998646
Energy: 2.2091007298694993
Energy: 2.160681128416471
Energy: 2.1678103582954926
Energy: 2.266574258017235
Energy: 2.1678103582954926
Energy: 2.160681128416471
Energy: 2.1678103582954926
Energy: 2.2706500862122403
Energy: 2.1591210703529753
Energy: 2.2434176919192317
Energy: 2.1591210703529753
Energy: 2.2706500862122403
Energy: 2.1591210703529753
Energy: 2.1132014188785755
Energy: 2.170852400635968
Energy: 2.2706673350107893
Energy: 2.170852400635968
Energy: 2.1132014188785755
Energy: 2.170852400635968
Energy: 2.124612673287893
Energy: 2.183238763176167
Energy: 2.270653730096718
Energy: 2.183238763176167
Energy: 2.124612673287893
Energy: 2.183238763176167
Energy: 2.2946044385955275
Energy: 2.212031272674378
Energy: 2.079376507037431
Energy: 2.212031272674378
Energy: 2.2946044385955275
Energy: 2.212031272674378
Energy: 2.113237140866105
Energy: 2.2078887233149778
Energy: 2.2426665452071406
Energy: 2.2078887233149778
Energy: 2.113237140865545
Energy: 2.2078887233149778
Energy: 2.079403767682133
Energy: 2.1677991749393395
Energy: 2.218120588077692
Energy: 2.1677991749393395
Energy: 2.079403767682133
Energy: 2.1677991749393395
Energy: 2.2706655079164513
Energy: 2.1591159297835825
Energy: 2.2197834470989433
Energy: 2.1591159297835825
Energy: 2.2706655079164513
Energy: 2.1591159297835825
Energy: 2.2706644525094615
Energy: 2.1678011639345782
Energy: 2.1132118623214513
Energy: 2.1678011639345782
Energy: 2.2706644525094615
Energy: 2.1678011639345782
Energy: 2.266574203281039
Energy: 2.1678091643809987
Energy: 2.1432064170689804
Energy: 2.1678091643809987
Energy: 2.266574203281039
Energy: 2.1678091643809987
Energy: 2.266592649893626
Energy: 2.167850484515915
Energy: 2.2197871521500634
Energy: 2.167850484515915
Energy: 2.2665926498941857
Energy: 2.167850484515915
Energy: 2.1758272452975658
Energy: 2.2090931529131077
Energy: 2.1781394827280574
Energy: 2.2090931529131077
Energy: 2.1758272452975658
Energy: 2.2090931529131077
Energy: 2.243418582016312
Energy: 2.215312790817151
Energy: 2.124616880642063
Energy: 2.215312790817151
Energy: 2.243418582016312
Energy: 2.215312790817151
Energy: 2.2667818441168595
Energy: 2.17086154953529
Energy: 2.143213153842632
Energy: 2.17086154953529
Energy: 2.2667818441168595
Energy: 2.17086154953529

minimum gb energy = 2.0562658428260474 eV
minimum distance =  2.39942903675948 Angstroms
sigma value = 51


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

Energy: 2.393969551011605
Energy: 2.3358194143210196
Energy: 2.1183222543135374
Energy: 2.3358194143210196
Energy: 2.393969551011605
Energy: 2.3358194143210196
Energy: 2.104072985494525
Energy: 2.3623339571623285
Energy: 2.4338790911346595
Energy: 2.3623339571623285
Energy: 2.104072985494525
Energy: 2.3623339571623285
Energy: 2.1040546337519817
Energy: 2.335836464316093
Energy: 2.347208998864088
Energy: 2.335836464316093
Energy: 2.1040546337519817
Energy: 2.335836464316093
Energy: 2.118301471672278
Energy: 2.2647692586460675
Energy: 2.433866602339698
Energy: 2.2647692586460675
Energy: 2.118301471672278
Energy: 2.2647692586460675
Energy: 2.118316206308078
Energy: 2.258920206798675
Energy: 2.433869804601876
Energy: 2.258920206798675
Energy: 2.118316206308078
Energy: 2.258920206798675
Energy: 2.3826301328727353
Energy: 2.258874644517287
Energy: 2.448633896060978
Energy: 2.258874644517287
Energy: 2.3826301328727353
Energy: 2.258874644517287
Energy: 2.3825919903124495
Energy: 2.258888161201279
Energy: 2.4338696104051523
Energy: 2.258888161201279
Energy: 2.3825919903124495
Energy: 2.258888161201279
Energy: 2.118308429966864
Energy: 2.258897976697667
Energy: 2.0884898310998516
Energy: 2.258897976697667
Energy: 2.118308429966864
Energy: 2.258897976697667
Energy: 2.3825957952166905
Energy: 2.3838656027970138
Energy: 2.1190785004721437
Energy: 2.3838656027970138
Energy: 2.3825957952166905
Energy: 2.3838656027970138
Energy: 2.1040310590693223
Energy: 2.3311848376518496
Energy: 2.0884884410066578
Energy: 2.3311848376518496
Energy: 2.1040310590693223
Energy: 2.3311848376518496
Energy: 2.4136696120923737
Energy: 2.258986656223283
Energy: 2.4338676967717867
Energy: 2.258986656223283
Energy: 2.4136696120923737
Energy: 2.258986656223283
Energy: 2.3826215838319293
Energy: 2.331194432896947
Energy: 2.448621664298223
Energy: 2.331194432896947
Energy: 2.3826215838319293
Energy: 2.331194432896947
Energy: 2.241297280832498
Energy: 2.2588845714747725
Energy: 2.433868504025941
Energy: 2.2588845714747725
Energy: 2.241297280832498
Energy: 2.2588845714747725
Energy: 2.104037407013686
Energy: 2.335835318280301
Energy: 2.433861425943903
Energy: 2.335835318280301
Energy: 2.104037407013686
Energy: 2.335835318280301
Energy: 2.104043114865075
Energy: 2.331194616984189
Energy: 2.433867537710133
Energy: 2.331194616984189
Energy: 2.104043114865075
Energy: 2.331194616984189
Energy: 2.1183256522005918
Energy: 2.258904018874007
Energy: 2.4338610696258463
Energy: 2.258904018874007
Energy: 2.1183256522005918
Energy: 2.258904018874007
Energy: 2.3826516911475353
Energy: 2.3311824289108642
Energy: 2.4486562687174955
Energy: 2.3311824289108642
Energy: 2.3826516911475353
Energy: 2.3311824289108642
Energy: 2.3826385148961844
Energy: 2.2589176828747255
Energy: 2.4338627436403453
Energy: 2.2589176828747255
Energy: 2.3826385148961844
Energy: 2.2589176828747255

minimum gb energy = 2.0884884410066578 eV
minimum distance =  2.39873376421982 Angstroms
sigma value = 19


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

Energy: 2.5623310067106844
Energy: 2.4887313148281387
Energy: 2.3074549728312026
Energy: 2.4887313148281387
Energy: 2.5623310067106844
Energy: 2.4887313148281387
Energy: 2.217129538824112
Energy: 2.6322313065363443
Energy: 2.3106579483081675
Energy: 2.6322313065363443
Energy: 2.217129538824112
Energy: 2.6322313065363443
Energy: 2.1608167169841908
Energy: 2.488742255893515
Energy: 2.3106642945795577
Energy: 2.488742255893515
Energy: 2.1608167169841908
Energy: 2.488742255893515
Energy: 2.2371415109317048
Energy: 2.4655668201636503
Energy: 2.310667540639527
Energy: 2.4655668201636503
Energy: 2.2371415109317048
Energy: 2.4655668201636503
Energy: 2.228237054853934
Energy: 2.4835009134721977
Energy: 2.3675529840455583
Energy: 2.4835009134721977
Energy: 2.228237054853934
Energy: 2.4835009134721977
Energy: 2.3106669693353985
Energy: 2.483500867994083
Energy: 2.228236216171369
Energy: 2.483500867994083
Energy: 2.3106669693353985
Energy: 2.483500867994083
Energy: 2.3106685096689494
Energy: 2.46557415057796
Energy: 2.2371375438547436
Energy: 2.46557415057796
Energy: 2.3106685096681803
Energy: 2.46557415057796
Energy: 2.3106645899342
Energy: 2.488745300619823
Energy: 2.1608167753550083
Energy: 2.488745300619823
Energy: 2.3106645899342
Energy: 2.488745300619823
Energy: 2.310659317513518
Energy: 2.632245864087992
Energy: 2.1608386188383455
Energy: 2.632245864087992
Energy: 2.310659317513518
Energy: 2.632245864087992
Energy: 2.444444206419518
Energy: 2.4887313148281387
Energy: 2.5623310067106844
Energy: 2.4887313148281387
Energy: 2.444444206419518
Energy: 2.4887313148281387
Energy: 2.3106579483081675
Energy: 2.6322313065363443
Energy: 2.1608381698865995
Energy: 2.6322313065363443
Energy: 2.3106579483081675
Energy: 2.6322313065363443
Energy: 2.3106642945795577
Energy: 2.488742255893515
Energy: 2.1608167169841908
Energy: 2.488742255893515
Energy: 2.3106642945795577
Energy: 2.488742255893515
Energy: 2.310667540639527
Energy: 2.4655668201636503
Energy: 2.2549643499102503
Energy: 2.4655668201636503
Energy: 2.310667540639527
Energy: 2.4655668201636503
Energy: 2.34810928641679
Energy: 2.4835009134721977
Energy: 2.228237054853934
Energy: 2.4835009134721977
Energy: 2.34810928641679
Energy: 2.4835009134721977
Energy: 2.228236216171369
Energy: 2.483500867994083
Energy: 2.3106669693353985
Energy: 2.483500867994083
Energy: 2.228236216171369
Energy: 2.483500867994083
Energy: 2.208736943087957
Energy: 2.46557415057796
Energy: 2.3106685096681803
Energy: 2.46557415057796
Energy: 2.208736943087957
Energy: 2.46557415057796
Energy: 2.1608167753550083
Energy: 2.488745300619823
Energy: 2.3106645899342
Energy: 2.488745300619823
Energy: 2.1608167753550083
Energy: 2.488745300619823
Energy: 2.1608386188383455
Energy: 2.632245864087992
Energy: 2.310659317513518
Energy: 2.632245864087992
Energy: 2.1608386188383455
Energy: 2.632245864087992
Energy: 2.5623310067106844
Energy: 2.4887313148281387
Energy: 2.347384103237755
Energy: 2.4887313148281387
Energy: 2.5623310067106844
Energy: 2.4887313148281387
Energy: 2.1608381698865995
Energy: 2.6322313065363443
Energy: 2.3106579483081675
Energy: 2.6322313065363443
Energy: 2.1608381698865995
Energy: 2.6322313065363443
Energy: 2.1608167169841908
Energy: 2.488742255893515
Energy: 2.3106642945795577
Energy: 2.488742255893515
Energy: 2.1608167169841908
Energy: 2.488742255893515
Energy: 2.2549643499102503
Energy: 2.4655668201636503
Energy: 2.310667540639527
Energy: 2.4655668201636503
Energy: 2.2549643499102503
Energy: 2.4655668201636503
Energy: 2.228237054853934
Energy: 2.4835009134721977
Energy: 2.34810928641679
Energy: 2.4835009134721977
Energy: 2.228237054853934
Energy: 2.4835009134721977
Energy: 2.3106669693353985
Energy: 2.483500867994083
Energy: 2.228236216171369
Energy: 2.483500867994083
Energy: 2.3106669693353985
Energy: 2.483500867994083
Energy: 2.3106685096689494
Energy: 2.46557415057796
Energy: 2.208736943087957
Energy: 2.46557415057796
Energy: 2.3106685096689494
Energy: 2.46557415057796
Energy: 2.3106645899342
Energy: 2.488745300619823
Energy: 2.1608167753550083
Energy: 2.488745300619823
Energy: 2.3106645899342
Energy: 2.488745300619823
Energy: 2.310659317513518
Energy: 2.632245864087992
Energy: 2.1608386188383455
Energy: 2.632245864087992
Energy: 2.310659317513518
Energy: 2.632245864087992
Energy: 2.3481316256274387
Energy: 2.4887313148281387
Energy: 2.5623310067106844
Energy: 2.4887313148281387
Energy: 2.3481316256274387
Energy: 2.4887313148281387
Energy: 2.3106579483081675
Energy: 2.6322313065363443
Energy: 2.1608381698865995
Energy: 2.6322313065363443
Energy: 2.3106579483081675
Energy: 2.6322313065363443
Energy: 2.3106642945795577
Energy: 2.488742255893515
Energy: 2.1608167169841908
Energy: 2.488742255893515
Energy: 2.3106642945795577
Energy: 2.488742255893515

minimum gb energy = 2.1608167169841908 eV
minimum distance =  2.36778578806077 Angstroms
sigma value = 27


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

Energy: 2.325798350378477
Energy: 2.5175948385790403
Energy: 2.0450999295834507
Energy: 2.5175948385790403
Energy: 2.325798350378477
Energy: 2.5175948385790403
Energy: 1.9805946046625298
Energy: 2.3099545285028036
Energy: 2.2303764840161415
Energy: 2.3099545285028036
Energy: 1.9805946046625298
Energy: 2.3099545285028036
Energy: 2.230387098326016
Energy: 2.642395149834327
Energy: 2.230384646276069
Energy: 2.642395149834327
Energy: 2.230387098326016
Energy: 2.642395149834327
Energy: 2.0263346767839114
Energy: 2.48888386530744
Energy: 2.0177205715085043
Energy: 2.48888386530744
Energy: 2.0263346767839114
Energy: 2.48888386530744
Energy: 2.2683588488696462
Energy: 2.488873821051872
Energy: 2.017718030847744
Energy: 2.488873821051872
Energy: 2.2683588488696462
Energy: 2.488873821051872
Energy: 2.2303751112014765
Energy: 2.6708276210747037
Energy: 2.2133530409932796
Energy: 2.6708276210747037
Energy: 2.2303751112014765
Energy: 2.6708276210747037
Energy: 2.230383884096648
Energy: 2.332807603274387
Energy: 2.230377477306787
Energy: 2.332807603274387
Energy: 2.230383884096648
Energy: 2.332807603274387
Energy: 2.3257978315870234
Energy: 2.50348043699934
Energy: 2.278253079122278
Energy: 2.50348043699934
Energy: 2.3257978315870234
Energy: 2.50348043699934
Energy: 2.2133524162510403
Energy: 2.3455750093832526
Energy: 2.230378798521575
Energy: 2.3455750093832526
Energy: 2.2133524162510403
Energy: 2.3455750093832526
Energy: 2.2303788509273628
Energy: 2.635127839253687
Energy: 2.230378482687723
Energy: 2.635127839253687
Energy: 2.2303788509273628
Energy: 2.635127839253687
Energy: 2.035251646244104
Energy: 2.4889161845193293
Energy: 2.017716312925275
Energy: 2.4889161845193293
Energy: 2.035251646244104
Energy: 2.4889161845193293
Energy: 2.2683723583288313
Energy: 2.4888937297974354
Energy: 2.02632504105334
Energy: 2.4888937297974354
Energy: 2.2683723583288313
Energy: 2.4888937297974354

minimum gb energy = 1.9805946046625298 eV
minimum distance =  2.4229131559647 Angstroms
sigma value = 9


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

Energy: 2.293070763445884
Energy: 2.705407615453745
Energy: 2.4369810952826714
Energy: 2.705407615453745
Energy: 2.293070763445884
Energy: 2.705407615453745
Energy: 2.3279280706480505
Energy: 2.668282237100727
Energy: 2.1707199642483
Energy: 2.668282237100727
Energy: 2.3279280706480505
Energy: 2.668282237100727
Energy: 2.1831379283120893
Energy: 2.665065913251142
Energy: 2.1707373972966764
Energy: 2.6650659132506127
Energy: 2.1831379283120893
Energy: 2.6650659132506127
Energy: 2.1258211527295647
Energy: 2.6654752412786173
Energy: 2.0905608844549484
Energy: 2.6654752412786173
Energy: 2.1258211527295647
Energy: 2.6654752412786173
Energy: 2.125832270759897
Energy: 2.640727583638572
Energy: 2.1195317018780293
Energy: 2.640727583638572
Energy: 2.125832270760427
Energy: 2.640727583638572
Energy: 2.095423214389993
Energy: 2.448350039210794
Energy: 2.2339630153304113
Energy: 2.518318572200704
Energy: 2.095423214389993
Energy: 2.448350039210794
Energy: 2.371987219613692
Energy: 2.6341233223160625
Energy: 2.1652280531745216
Energy: 2.6341233223160625
Energy: 2.371987219613692
Energy: 2.6341233223160625
Energy: 2.165225414317543
Energy: 2.640742533386948
Energy: 2.2907677680616363
Energy: 2.640742533386948
Energy: 2.165225414317543
Energy: 2.640742533386948
Energy: 2.3180049393310367
Energy: 2.493278718875404
Energy: 2.179106836196987
Energy: 2.493278718875404
Energy: 2.3180049393310367
Energy: 2.493278718875404
Energy: 2.1853552488142216
Energy: 2.665057415193026
Energy: 2.1258330568817447
Energy: 2.665057415193026
Energy: 2.1853552488142216
Energy: 2.665057415193026
Energy: 2.2799304664997155
Energy: 2.635745772551871
Energy: 2.1707210835701805
Energy: 2.635745772551871
Energy: 2.2799304664997155
Energy: 2.635745772551871
Energy: 2.1707220462393946
Energy: 2.640719941158133
Energy: 2.16523711969342
Energy: 2.640719941158133
Energy: 2.1707220462393946
Energy: 2.640719941158133
Energy: 2.0954259983259593
Energy: 2.44833161890949
Energy: 2.2188743015127277
Energy: 2.44833161890949
Energy: 2.0954259983259593
Energy: 2.44833161890949
Energy: 2.377128102386592
Energy: 2.6650762836286375
Energy: 2.1113756033851097
Energy: 2.6650762836286375
Energy: 2.377128102386592
Energy: 2.6650762836286375
Energy: 2.170720007497264
Energy: 2.6407201314541413
Energy: 2.236694211856365
Energy: 2.6407201314541413
Energy: 2.170720007497264
Energy: 2.6407201314541413
Energy: 2.264840736311267
Energy: 2.641860072855454
Energy: 2.165265798403289
Energy: 2.641860072855454
Energy: 2.264840736311267
Energy: 2.641860072855454
Energy: 2.1853460518654506
Energy: 2.665080066266345
Energy: 2.125818833773684
Energy: 2.665080066266345
Energy: 2.1853460518654506
Energy: 2.665080066266345
Energy: 2.1956397268287935
Energy: 2.458081927625687
Energy: 2.1707503260454204
Energy: 2.458081927625687
Energy: 2.1956397268287935
Energy: 2.458081927625687
Energy: 2.165228354646916
Energy: 2.682429803642227
Energy: 2.095429263957583
Energy: 2.682429803642227
Energy: 2.165228354646916
Energy: 2.682429803642227
Energy: 2.095430110885159
Energy: 2.673714472292188
Energy: 2.095432177280617
Energy: 2.673714472292188
Energy: 2.095430110885159
Energy: 2.673714472292188
Energy: 2.0954291451008586
Energy: 2.6824297524246035
Energy: 2.165235565219266
Energy: 2.6824297524246035
Energy: 2.0954291451008586
Energy: 2.6824297524246035
Energy: 2.170750152105209
Energy: 2.4580809450405985
Energy: 2.195640238495653
Energy: 2.4580809450405985
Energy: 2.170750152105209
Energy: 2.4580809450405985
Energy: 2.125818510471249
Energy: 2.6650801501200183
Energy: 2.185340205404507
Energy: 2.6650801501200183
Energy: 2.125818510471249
Energy: 2.6650801501200183
Energy: 2.165265948941074
Energy: 2.6418627042172513
Energy: 2.2648415295663558
Energy: 2.6418627042172513
Energy: 2.165265948941074
Energy: 2.6418627042172513
Energy: 2.23669472747262
Energy: 2.6407204984562576
Energy: 2.1707196584318007
Energy: 2.6407204984562576
Energy: 2.23669472747262
Energy: 2.6407204984557286
Energy: 2.111375283653867
Energy: 2.6650732315314163
Energy: 2.377127715513014
Energy: 2.6650732315314163
Energy: 2.111375283653867
Energy: 2.6650732315314163
Energy: 2.218871991748174
Energy: 2.448334898058598
Energy: 2.0954264513736494
Energy: 2.448334898058598
Energy: 2.218871991748174
Energy: 2.448334898058598
Energy: 2.1652379913809647
Energy: 2.6407213276550965
Energy: 2.170721798344214
Energy: 2.6407213276550965
Energy: 2.1652379913809647
Energy: 2.6407213276550965
Energy: 2.1707201769293376
Energy: 2.6357547510671937
Energy: 2.341302283196021
Energy: 2.6357547510671937
Energy: 2.1707201769293376
Energy: 2.6357547510671937
Energy: 2.1258323421844105
Energy: 2.6650581781658818
Energy: 2.185355327063061
Energy: 2.6650581781658818
Energy: 2.1258323421844105
Energy: 2.6650581781658818
Energy: 2.1707199406538837
Energy: 2.493278718875404
Energy: 2.3180037573543655
Energy: 2.493278718875404
Energy: 2.1707199406538837
Energy: 2.493278718875404
Energy: 2.290763227579735
Energy: 2.640743055582563
Energy: 2.1652262270727216
Energy: 2.640743055582563
Energy: 2.290763227579735
Energy: 2.640743055582563
Energy: 2.1652301094702406
Energy: 2.6341237249936733
Energy: 2.3719878924201345
Energy: 2.6341237249936733
Energy: 2.1652301094702406
Energy: 2.6341237249936733
Energy: 2.2339632939956413
Energy: 2.553583085868492
Energy: 2.0954237052526787
Energy: 2.553583085868492
Energy: 2.2339632939956413
Energy: 2.553583085868492
Energy: 2.0905624970028094
Energy: 2.640725916408284
Energy: 2.125831959952304
Energy: 2.640725916408284
Energy: 2.0905624970028094
Energy: 2.640725916408284
Energy: 2.0905745186604747
Energy: 2.6654768305055625
Energy: 2.1258203204425867
Energy: 2.6654768305055625
Energy: 2.0905745186604747
Energy: 2.6654768305055625
Energy: 2.1707380010080746
Energy: 2.66505618389062
Energy: 2.1831395527568342
Energy: 2.66505618389062
Energy: 2.1707380010080746
Energy: 2.66505618389062
Energy: 2.1707194411956143
Energy: 2.5642661991479234
Energy: 2.3279280668472895
Energy: 2.5642661991479234
Energy: 2.1707194411956143
Energy: 2.5642661991479234
Energy: 2.193155257806101
Energy: 2.705407615453745
Energy: 2.293070763445884
Energy: 2.705407615453745
Energy: 2.1931552578082183
Energy: 2.705407615453745
Energy: 2.1707199642483
Energy: 2.668282237100727
Energy: 2.3279280706480505
Energy: 2.668282237100727
Energy: 2.1707199642483
Energy: 2.668282237100727
Energy: 2.1707373972966764
Energy: 2.6650659132506127
Energy: 2.1831379283120893
Energy: 2.6650659132506127
Energy: 2.1707373972966764
Energy: 2.6650659132506127
Energy: 2.0905608844549484
Energy: 2.6654752412786173
Energy: 2.1258211527295647
Energy: 2.6654752412786173
Energy: 2.0905608844549484
Energy: 2.6654752412786173
Energy: 2.139098690246948
Energy: 2.640727583638572
Energy: 2.125832270760427
Energy: 2.640727583638572
Energy: 2.139098690246948
Energy: 2.640727583638572

minimum gb energy = 2.0905608844549484 eV
minimum distance =  2.36813961796999 Angstroms
sigma value = 57


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

Energy: 2.093695957449534
Energy: 2.5138453690055704
Energy: 2.415540274743021
Energy: 2.5138453690055704
Energy: 2.093695957449534
Energy: 2.5138453690055704
Energy: 1.9305852700706825
Energy: 2.5912319939890995
Energy: 2.0388508470420046
Energy: 2.5912319939890995
Energy: 1.9305852700706825
Energy: 2.5912319939890995
Energy: 1.9349502205703113
Energy: 2.4772749678394708
Energy: 2.0010077989150594
Energy: 2.4772749678394708
Energy: 1.9349502205703113
Energy: 2.4772749678394708
Energy: 1.9634220401686366
Energy: 2.4772442890790205
Energy: 1.963409533984972
Energy: 2.4772442890790205
Energy: 1.9634220401686366
Energy: 2.4772442890790205
Energy: 1.963392976488171
Energy: 2.5095238799431994
Energy: 2.0388526887585523
Energy: 2.5095238799431994
Energy: 1.963392976488171
Energy: 2.5095238799431994
Energy: 1.963422898931715
Energy: 2.4772902235176897
Energy: 1.934933791347731
Energy: 2.4772902235176897
Energy: 1.963422898931715
Energy: 2.4772902235176897
Energy: 1.9634249875005674
Energy: 2.4772889027755274
Energy: 1.934933489184158
Energy: 2.4772889027755274
Energy: 1.9634249875005674
Energy: 2.4772889027755274
Energy: 1.963394360744201
Energy: 2.5095240130997443
Energy: 1.9634176609169478
Energy: 2.5095240130997443
Energy: 1.963394360744201
Energy: 2.5095240130997443
Energy: 1.9634216356203398
Energy: 2.477244446794181
Energy: 2.03885051329738
Energy: 2.477244446794181
Energy: 1.9634216356203398
Energy: 2.477244446794181
Energy: 1.9349506479502716
Energy: 2.477230377762224
Energy: 2.001002686575513
Energy: 2.477230377762224
Energy: 1.9349506479502716
Energy: 2.477230377762224
Energy: 1.9305850512033509
Energy: 2.5912319939890995
Energy: 2.038849071428684
Energy: 2.5912319939890995
Energy: 1.9305850512033509
Energy: 2.5912319939890995
Energy: 2.093695957449534
Energy: 2.5138453690055704
Energy: 2.17716477515331
Energy: 2.5138453690055704
Energy: 2.093695957449534
Energy: 2.5138453690055704
Energy: 1.9305852700706825
Energy: 2.5912319939890995
Energy: 1.967863833408709
Energy: 2.5912319939890995
Energy: 1.9305852700706825
Energy: 2.5912319939890995
Energy: 1.9349502205703113
Energy: 2.4772749678394708
Energy: 2.0010077989150594
Energy: 2.4772749678394708
Energy: 1.9349502205703113
Energy: 2.4772749678394708
Energy: 1.9634220401686366
Energy: 2.4772442890790205
Energy: 1.963409533984972
Energy: 2.4772442890790205
Energy: 1.9634220401686366
Energy: 2.4772442890790205
Energy: 1.963392976488171
Energy: 2.5095238799431994
Energy: 1.9678553231908753
Energy: 2.5095238799419946
Energy: 1.963392976488171
Energy: 2.5095238799431994
Energy: 1.963422898931715
Energy: 2.4772902235176897
Energy: 1.934933791347731
Energy: 2.4772902235176897
Energy: 1.963422898931715
Energy: 2.4772902235176897
Energy: 1.9634249875005674
Energy: 2.4772889027755274
Energy: 1.934933489184158
Energy: 2.4772889027755274
Energy: 1.9634249875005674
Energy: 2.4772889027755274
Energy: 1.963394360744201
Energy: 2.5095240130997443
Energy: 1.9634176609169478
Energy: 2.5095240130997443
Energy: 1.963394360744201
Energy: 2.5095240130997443

minimum gb energy = 1.9305850512033509 eV
minimum distance =  2.38919781499833 Angstroms
sigma value = 11


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

Energy: 1.9751386005091889
Energy: 2.4060674649022498
Energy: 2.2688070074585314
Energy: 2.4060674649022498
Energy: 1.9751386005091889
Energy: 2.4060674649022498
Energy: 2.292596761196941
Energy: 2.3461710687954573
Energy: 1.8462429512897847
Energy: 2.3461710687954573
Energy: 2.292596761196941
Energy: 2.3461710687954573
Energy: 1.9387771817980906
Energy: 2.3044196291832666
Energy: 1.8970970568080663
Energy: 2.3044196291832666
Energy: 1.9387771817980906
Energy: 2.3044196291832666
Energy: 2.074603149849107
Energy: 2.2935131273515257
Energy: 1.846249759371522
Energy: 2.2935131273515257
Energy: 2.074603149849107
Energy: 2.2935131273515257
Energy: 1.8462046809491686
Energy: 2.394589303879896
Energy: 1.9014140519740204
Energy: 2.394589303879896
Energy: 1.8462046809491686
Energy: 2.394589303879896
Energy: 1.8677991480875842
Energy: 2.3849254749917184
Energy: 1.8462522581746632
Energy: 2.3849254749917184
Energy: 1.8677991480875842
Energy: 2.3849254749917184
Energy: 1.8677939217363024
Energy: 2.29866887179596
Energy: 1.8462255087990398
Energy: 2.29866887179596
Energy: 1.8677939217363024
Energy: 2.29866887179596
Energy: 2.3244677712045188
Energy: 2.430486416146385
Energy: 1.8834783596134819
Energy: 2.430486416146385
Energy: 2.3244677712045188
Energy: 2.430486416146385
Energy: 2.324547554551631
Energy: 2.4304947614022563
Energy: 2.081151030967666
Energy: 2.4304947614022563
Energy: 2.324547554551631
Energy: 2.4304947614022563
Energy: 1.8678729472422757
Energy: 2.2986841189011304
Energy: 1.8462411021469456
Energy: 2.2986841189011304
Energy: 1.8678729472422757
Energy: 2.2986841189011304
Energy: 1.867792306734835
Energy: 2.38493018510935
Energy: 1.8462286450996441
Energy: 2.38493018510935
Energy: 1.867792306734835
Energy: 2.38493018510935
Energy: 1.846238769984181
Energy: 2.3945916581107656
Energy: 1.8462403182405491
Energy: 2.3945916581107656
Energy: 1.846238769984181
Energy: 2.3945916581107656
Energy: 2.315898023657612
Energy: 2.293514573243301
Energy: 1.8687272313669976
Energy: 2.293514573243301
Energy: 2.315898023657612
Energy: 2.293514573243301
Energy: 1.846264042037049
Energy: 2.298670562459696
Energy: 1.867874397745323
Energy: 2.298670562459696
Energy: 1.8462640420361667
Energy: 2.298670562459696
Energy: 2.292595662759131
Energy: 2.3461764166637735
Energy: 1.846242412316702
Energy: 2.3461764166637735
Energy: 2.292595662759131
Energy: 2.3461764166637735
Energy: 1.883509667348127
Energy: 2.3945914715354943
Energy: 2.0919693795505245
Energy: 2.3945914715354943
Energy: 1.8835096673472442
Energy: 2.394591471536377
Energy: 2.300248116321004
Energy: 2.3461423903581733
Energy: 1.868724735914394
Energy: 2.3461423903581733
Energy: 2.300248116321004
Energy: 2.3461423903581733
Energy: 1.8462670880185965
Energy: 2.2986829319986573
Energy: 1.8970621959677163
Energy: 2.2986829319986573
Energy: 1.8462670880185965
Energy: 2.2986829319986573
Energy: 2.0746223516250657
Energy: 2.2935328410436835
Energy: 1.8462437428457161
Energy: 2.2935328410436835
Energy: 2.0746223516250657
Energy: 2.2935328410436835
Energy: 1.8462334946251346
Energy: 2.4060697467685137
Energy: 1.8678458058715315
Energy: 2.4060697467685137
Energy: 1.8462334946251346
Energy: 2.4060697467685137
Energy: 2.395797438197436
Energy: 2.384920809218427
Energy: 1.8462517392917301
Energy: 2.384920809218427
Energy: 2.395797438197436
Energy: 2.384920809218427
Energy: 1.8677993090262939
Energy: 2.2986886830103614
Energy: 1.846321098729209
Energy: 2.2986886830103614
Energy: 1.8677993090262939
Energy: 2.2986886830103614
Energy: 2.324468982973457
Energy: 2.394591929008803
Energy: 1.8834830932398396
Energy: 2.394591929008803
Energy: 2.324468982973457
Energy: 2.394591929008803
Energy: 1.8462296947062071
Energy: 2.431364184432056
Energy: 2.2925946995943436
Energy: 2.431364184432056
Energy: 1.8462296947062071
Energy: 2.431364184432056
Energy: 1.867824026354564
Energy: 2.2986730510611046
Energy: 1.846254241458648
Energy: 2.2986730510611046
Energy: 1.867824026354564
Energy: 2.2986730510611046
Energy: 1.8677996512648163
Energy: 2.4323678126621684
Energy: 1.8463079905916546
Energy: 2.4323678126621684
Energy: 1.8677996512648163
Energy: 2.4323678126621684

minimum gb energy = 1.8462046809491686 eV
minimum distance =  2.39353285226539 Angstroms
sigma value = 41


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

Energy: 2.3303805676612166
Energy: 2.2884866826108565
Energy: 2.191209835402638
Energy: 2.2884866826108565
Energy: 2.3303805676612166
Energy: 2.2884866826108565
Energy: 2.543025865783262
Energy: 2.170331922789573
Energy: 1.7401287853605671
Energy: 2.170331922789573
Energy: 2.543025865783262
Energy: 2.170331922789573
Energy: 1.871362277618371
Energy: 2.228778024034196
Energy: 1.8081267616248278
Energy: 2.228778024034196
Energy: 1.871362277618371
Energy: 2.228778024034196
Energy: 2.3283804212738892
Energy: 2.114793529204905
Energy: 1.7401344459438821
Energy: 2.114793529204905
Energy: 2.3283804212738892
Energy: 2.114793529204905
Energy: 1.8446507868669009
Energy: 2.1218766103523348
Energy: 1.7841363381530075
Energy: 2.1218766103523348
Energy: 1.8446507868669009
Energy: 2.1218766103523348
Energy: 2.1203151706656103
Energy: 2.211404510867185
Energy: 1.7401301580284854
Energy: 2.211404510867185
Energy: 2.1203151706656103
Energy: 2.211404510867185
Energy: 1.7400926228588807
Energy: 2.2165539902887157
Energy: 1.7401203325575083
Energy: 2.2165539902887157
Energy: 1.7400926228588807
Energy: 2.2165539902887157
Energy: 2.202459338142319
Energy: 2.229195316081725
Energy: 1.7676241381743452
Energy: 2.229195316081725
Energy: 2.202459338142319
Energy: 2.229195316081725
Energy: 1.7686132060749336
Energy: 2.1139041190866745
Energy: 1.9226448237508014
Energy: 2.1139041190866745
Energy: 1.768613206074238
Energy: 2.1139041190866745
Energy: 2.1293512690008995
Energy: 2.216557774702613
Energy: 2.115279342872386
Energy: 2.216557774702613
Energy: 2.1293512690008995
Energy: 2.216557774702613
Energy: 2.1293697525589494
Energy: 2.2165583768469537
Energy: 2.115253221490769
Energy: 2.2165583768469537
Energy: 2.1293697525589494
Energy: 2.2165583768469537
Energy: 1.768534774315762
Energy: 2.2854285347469316
Energy: 1.7676903417403742
Energy: 2.2579580496109184
Energy: 1.768534774315762
Energy: 2.285428534746236
Energy: 1.7686076135042803
Energy: 2.2114113073044943
Energy: 2.0117550982137025
Energy: 2.2114113073044943
Energy: 1.7686076135042803
Energy: 2.2114113073044943
Energy: 1.7401249572104156
Energy: 2.216556448660019
Energy: 1.740128433433101
Energy: 2.216556448660019
Energy: 1.7401249572104156
Energy: 2.216556448660019
Energy: 2.1203109983776347
Energy: 2.21140563338776
Energy: 1.7401178269976434
Energy: 2.21140563338776
Energy: 2.1203109983776347
Energy: 2.21140563338776
Energy: 1.7401275719909999
Energy: 2.2485694405597076
Energy: 1.7401339823112927
Energy: 2.2485694405597076
Energy: 1.7401275719909999
Energy: 2.2485694405597076
Energy: 2.091011361890114
Energy: 2.2613289559604466
Energy: 1.7661795701701026
Energy: 2.2613289559604466
Energy: 2.091011361890114
Energy: 2.2613289559604466
Energy: 1.767624704762859
Energy: 2.2165568920150194
Energy: 1.7685220888118978
Energy: 2.2165568920150194
Energy: 1.767624704762859
Energy: 2.2165568920150194
Energy: 2.5430255063470284
Energy: 2.1703420731498397
Energy: 1.7401183058952847
Energy: 2.1703420731498397
Energy: 2.5430255063470284
Energy: 2.1703420731498397
Energy: 2.1152990354987766
Energy: 2.2485661293341788
Energy: 2.1293572505852594
Energy: 2.2485661293341788
Energy: 2.1152990354987766
Energy: 2.2485661293341788
Energy: 2.5457546569957477
Energy: 2.1702954246364095
Energy: 1.7661793351793251
Energy: 2.1702954246364095
Energy: 2.5457546569957477
Energy: 2.1702954246364095
Energy: 1.7676171830881493
Energy: 2.2165533741788837
Energy: 1.8080820546762397
Energy: 2.2165533741788837
Energy: 1.7676171830881493
Energy: 2.2165533741788837
Energy: 2.3283840680764625
Energy: 2.1147708304333497
Energy: 1.740117370603317
Energy: 2.1147708304333497
Energy: 2.3283840680764625
Energy: 2.1147708304333497
Energy: 1.7401280996374646
Energy: 2.165007354370513
Energy: 1.944691778929937
Energy: 2.165007354370513
Energy: 1.7401280996374646
Energy: 2.165007354370513
Energy: 1.9446485380848573
Energy: 2.2113984861640046
Energy: 1.740148060404661
Energy: 2.2113984861640046
Energy: 1.9446485380848573
Energy: 2.2113984861640046
Energy: 1.740124855852349
Energy: 2.165006322794927
Energy: 1.9157331538286824
Energy: 2.165006322794927
Energy: 1.740124855852349
Energy: 2.165006322794927
Energy: 2.20246082001287
Energy: 2.216566716694751
Energy: 1.7676053411782147
Energy: 2.216566716694751
Energy: 2.20246082001287
Energy: 2.216566716694751
Energy: 1.7685302244937777
Energy: 2.1745364069253346
Energy: 2.318843782943498
Energy: 2.1745364069253346
Energy: 1.7685302244937777
Energy: 2.1745364069253346
Energy: 2.1293546942733834
Energy: 2.2165562261912424
Energy: 2.115280850197201
Energy: 2.2165562261912424
Energy: 2.1293546942733834
Energy: 2.2165562261912424
Energy: 1.7401332809886676
Energy: 2.1650079500240746
Energy: 2.3353375959056173
Energy: 2.1650079500240746
Energy: 1.7401332809886676
Energy: 2.1650079500240746
Energy: 1.7685220310023606
Energy: 2.2165760530962655
Energy: 1.7676044784915084
Energy: 2.2165760530962655
Energy: 1.7685220310023606
Energy: 2.2165760530962655
Energy: 1.7685254125413403
Energy: 2.211416610673095
Energy: 2.0910186424649773
Energy: 2.211416610673095
Energy: 1.7685254125413403
Energy: 2.211416610673095
Energy: 1.740124143378901
Energy: 2.2165686334339556
Energy: 1.740136489877823
Energy: 2.2165686334339556
Energy: 1.740124143378901
Energy: 2.2165686334339556

minimum gb energy = 1.7400926228588807 eV
minimum distance =  2.42872414375381 Angstroms
sigma value = 33


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

Energy: 2.0405440253053406
Energy: 2.031646526501169
Energy: 1.6405147330479561
Energy: 2.031646526501169
Energy: 2.0405440253053406
Energy: 2.031646526501169
Energy: 2.7250191276908695
Energy: 1.8958482525638956
Energy: 1.596026071912286
Energy: 1.8958482525638956
Energy: 2.7250191276908695
Energy: 1.8958482525638956
Energy: 1.9996741773434556
Energy: 2.025988372485034
Energy: 1.6405306510924005
Energy: 2.025988372485034
Energy: 1.9996741773434556
Energy: 2.025988372485034
Energy: 2.3297505229881024
Energy: 1.8722118690845242
Energy: 1.596031984264127
Energy: 1.8722118690845242
Energy: 2.3297505229881024
Energy: 1.8722118690845242
Energy: 1.6882304926453413
Energy: 1.9964254032884836
Energy: 1.6105239316263704
Energy: 1.996425403288972
Energy: 1.6882304926453413
Energy: 1.9964254032884836
Energy: 2.1450399100975033
Energy: 1.9581324907361746
Energy: 1.5960287500931514
Energy: 1.9581324907361746
Energy: 2.1450399100979918
Energy: 1.9581324907361746
Energy: 1.6633914385811481
Energy: 1.9564807887113582
Energy: 1.5960655640585957
Energy: 1.9564807887113582
Energy: 1.6633914385811481
Energy: 1.9564807887113582
Energy: 1.9990647890984303
Energy: 1.9564798343688694
Energy: 1.6012889691192103
Energy: 1.9564798343688694
Energy: 1.9990647890984303
Energy: 1.9564798343688694
Energy: 1.6011401979073923
Energy: 1.9964250840341105
Energy: 1.781578208725184
Energy: 1.9964250840341105
Energy: 1.6011401979073923
Energy: 1.9964250840341105
Energy: 1.8555774875720727
Energy: 1.996424194128175
Energy: 1.845429848815231
Energy: 1.996424194128175
Energy: 1.8555774875720727
Energy: 1.996424194128175
Energy: 1.5959866898132518
Energy: 1.956480077570311
Energy: 1.8454423239339404
Energy: 1.956480077570311
Energy: 1.5959866898132518
Energy: 1.956480077570311
Energy: 2.183025528953689
Energy: 2.0292582885599066
Energy: 1.8692458544309252
Energy: 2.0292582885599066
Energy: 2.183025528953689
Energy: 2.0292582885599066
Energy: 1.846440724757454
Energy: 1.9964254297063824
Energy: 2.144397288592351
Energy: 1.9964254297063824
Energy: 1.846440724757454
Energy: 1.9964254297063824
Energy: 1.8612281832757338
Energy: 2.0149456844592857
Energy: 2.1623899595455924
Energy: 2.0149456844592857
Energy: 1.8612281832757338
Energy: 2.0149456844592857
Energy: 1.8612772957850585
Energy: 1.9564794487723252
Energy: 2.1623968968499265
Energy: 1.9564794487723252
Energy: 1.8612772957850585
Energy: 1.9564794487723252
Energy: 1.8464406731245337
Energy: 2.014935738178916
Energy: 1.8692356055236548
Energy: 2.014935738178916
Energy: 1.8464406731245337
Energy: 2.014935738178916
Energy: 1.8464478566914047
Energy: 1.996438665295737
Energy: 2.075596150894619
Energy: 1.996438665295737
Energy: 1.8464478566914047
Energy: 1.996438665295737
Energy: 1.596083182104003
Energy: 2.0149432666026783
Energy: 1.8454413276601498
Energy: 2.0149432666026783
Energy: 1.596083182104003
Energy: 2.01494326660219
Energy: 1.8555579782743774
Energy: 1.9973481739368357
Energy: 1.845453023794163
Energy: 1.9973481739368357
Energy: 1.8555579782743774
Energy: 1.9973481739368357
Energy: 1.6013402303942996
Energy: 2.014941199727105
Energy: 1.6012593963893351
Energy: 2.0149411997266164
Energy: 1.6013402303942996
Energy: 2.014941199727105
Energy: 1.8408882908354947
Energy: 1.9581277520738076
Energy: 1.7815937428951834
Energy: 1.9581277520738076
Energy: 1.8408882908354947
Energy: 1.9581277520738076
Energy: 1.6012191293266673
Energy: 2.0149508418775426
Energy: 1.596038451826204
Energy: 2.0149508418775426
Energy: 1.6012191293266673
Energy: 2.0149508418775426
Energy: 2.1450365304390853
Energy: 2.0176226052816757
Energy: 1.5960966749291818
Energy: 2.017622605282164
Energy: 2.1450365304390853
Energy: 2.0176226052816757
Energy: 1.6265382402570745
Energy: 2.014942611908945
Energy: 1.5960278443926994
Energy: 2.014942611908945
Energy: 1.6265382402570745
Energy: 2.014942611908945
Energy: 2.144389889195434
Energy: 1.958139926631229
Energy: 1.846442423150468
Energy: 1.958139926631229
Energy: 2.144389889195434
Energy: 1.958139926631229
Energy: 1.869233441476737
Energy: 2.014940491554439
Energy: 1.610514736258559
Energy: 2.014940491554439
Energy: 1.869233441476249
Energy: 2.014940491554439
Energy: 2.7250219630150987
Energy: 1.936352768672917
Energy: 1.5960888476950346
Energy: 1.936352768672917
Energy: 2.7250219630150987
Energy: 1.936352768672917
Energy: 1.912262128531235
Energy: 2.0149475699553556
Energy: 1.8612387435877633
Energy: 2.0149475699553556
Energy: 1.912262128531235
Energy: 2.0149475699553556
Energy: 2.330299079705296
Energy: 1.9648639728800699
Energy: 1.8464441429390577
Energy: 1.9648639728800699
Energy: 2.330299079705296
Energy: 1.9648639728800699
Energy: 1.869241487313145
Energy: 2.0149520276713724
Energy: 1.8893516952767806
Energy: 2.0149520276713724
Energy: 1.869241487313145
Energy: 2.0149520276713724
Energy: 2.3344038249974934
Energy: 1.8781431429612847
Energy: 1.5960875967888066
Energy: 1.8781431429612847
Energy: 2.3344038249974934
Energy: 1.8781431429612847
Energy: 1.626388673312592
Energy: 1.9964592293982588
Energy: 1.8763505309694295
Energy: 1.9964592293982588
Energy: 1.626388673312592
Energy: 1.9964592293982588
Energy: 1.9928733612973304
Energy: 1.9581285801274924
Energy: 1.6013583041143402
Energy: 1.9581285801274924
Energy: 1.9928733612973304
Energy: 1.9581285801274924
Energy: 1.6011994367292495
Energy: 1.9564858540015415
Energy: 2.009832822053278
Energy: 1.9564858540015415
Energy: 1.6011994367292495
Energy: 1.9564858540015415
Energy: 2.0098330191067126
Energy: 1.9564864858196573
Energy: 1.6012697214759808
Energy: 1.9564864858196573
Energy: 2.0098330191067126
Energy: 1.9564864858196573
Energy: 1.6013547785893718
Energy: 1.9581268437504418
Energy: 1.9928726903196388
Energy: 1.9581268437504418
Energy: 1.6013547785893718
Energy: 1.9581268437504418
Energy: 1.8763507513118076
Energy: 1.9964593277139406
Energy: 1.6264346363397535
Energy: 1.9964593277139406
Energy: 1.8763507513118076
Energy: 1.9964593277139406
Energy: 1.5960871526675742
Energy: 1.8781400923164215
Energy: 2.33440241933608
Energy: 1.8781400923164215
Energy: 1.5960871526675742
Energy: 1.8781400923164215
Energy: 1.8893516952767806
Energy: 2.014950787194312
Energy: 1.8692369615543845
Energy: 2.014950787194312
Energy: 1.8893516952767806
Energy: 2.014950787194312
Energy: 1.7189723539788773
Energy: 1.964863760749904
Energy: 2.3302990637614793
Energy: 1.964863760749904
Energy: 1.7189723539788773
Energy: 1.964863760749904
Energy: 1.8612390452465215
Energy: 2.0149673642208725
Energy: 1.9122620540632183
Energy: 2.0149673642208725
Energy: 1.8612390452465215
Energy: 2.0149673642208725
Energy: 1.596090984682383
Energy: 1.9363559373298407
Energy: 2.725021937786941
Energy: 1.9363559373303287
Energy: 1.596090984682383
Energy: 1.9363559373303287
Energy: 1.610515086469082
Energy: 2.014941226113271
Energy: 1.8692359753105925
Energy: 2.014941226113271
Energy: 1.610515086469082
Energy: 2.014941226113271
Energy: 1.7189729385783665
Energy: 1.9581432073370875
Energy: 2.1443925891388234
Energy: 1.9581432073370875
Energy: 1.7189729385783665
Energy: 1.9581432073370875
Energy: 1.596027904229577
Energy: 2.014940876664471
Energy: 1.6264250545087564
Energy: 2.014940876664471
Energy: 1.596027904229577
Energy: 2.014940876664471
Energy: 1.5960958395669402
Energy: 2.017622605282164
Energy: 2.145037164304263
Energy: 2.017622605282164
Energy: 1.5960958395669402
Energy: 2.017622605282164
Energy: 1.5960376188438867
Energy: 2.014951699401965
Energy: 1.6012202804523064
Energy: 2.014951699401965
Energy: 1.5960376188438867
Energy: 2.014951699401965

minimum gb energy = 1.5959866898132518 eV
minimum distance =  2.44834722000426 Angstroms
sigma value = 67


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

Energy: 0.7132810972922227
Energy: 0.7132772869015742
Energy: 1.9170510725071923
Energy: 0.7132772869015742
Energy: 0.7132810972922227
Energy: 0.7132772869015742
Energy: 0.7092643434879224
Energy: 1.4141163180716068
Energy: 1.201976638980836
Energy: 1.4141163180716068
Energy: 0.7092643434879224
Energy: 1.4141163180716068
Energy: 0.7132810972922227
Energy: 0.7132772869015742
Energy: 1.9170510725071923
Energy: 0.7132772869015742
Energy: 0.7132810972922227
Energy: 0.7132772869015742
Energy: 0.7092643434879224
Energy: 1.4141163180716068
Energy: 1.201976638980836
Energy: 1.4141163180716068
Energy: 0.7092643434879224
Energy: 1.4141163180716068
Energy: 0.7132810972922227
Energy: 0.7132772869015742
Energy: 2.150959532213624
Energy: 0.7132772869015742
Energy: 0.7132810972922227
Energy: 0.7132772869015742
Energy: 0.7092643434879224
Energy: 1.4141163180716068
Energy: 1.201976638980836
Energy: 1.4141163180716068
Energy: 0.7092643434879224
Energy: 1.4141163180716068
Energy: 0.7132810972922227
Energy: 0.7132772869015742
Energy: 2.5921678473951832
Energy: 0.7132772869015742
Energy: 0.7132810972922227
Energy: 0.7132772869015742

minimum gb energy = 0.7092643434879224 eV
minimum distance =  2.67313338269415 Angstroms
sigma value = 3


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

Energy: 2.3483346437818673
Energy: 1.923263743324659
Energy: 2.162916978308718
Energy: 1.923263743324659
Energy: 2.3483346437818673
Energy: 1.923263743324659
Energy: 2.857821412307402
Energy: 1.5319794678154275
Energy: 1.5343707030162086
Energy: 1.5319794678154275
Energy: 2.857821412307402
Energy: 1.5319794678154275
Energy: 2.2378177840990676
Energy: 1.8638196131337452
Energy: 1.6714000782845937
Energy: 1.8638196131342293
Energy: 2.2378177840990676
Energy: 1.8638196131342293
Energy: 2.6610402719153745
Energy: 1.5307420087036459
Energy: 1.5437314246378757
Energy: 1.5307420087036459
Energy: 2.6610402719153745
Energy: 1.5319659053390342
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Energy: 1.55079284498926
Energy: 1.595853596677058
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Energy: 1.5507928449897446
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Energy: 1.5958614960612527
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Energy: 1.7999738181191884
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Energy: 1.6099282223370954
Energy: 1.7874099398384575
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Energy: 1.6416823366758715
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Energy: 1.6416823366758715
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Energy: 1.9080179169871756
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Energy: 1.5209528251663653
Energy: 1.8478584889658969
Energy: 1.8798531986785343
Energy: 1.9282168745310455
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Energy: 1.8478584889658969
Energy: 1.8940950545042132
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Energy: 1.519048541063125
Energy: 2.4669083194133763
Energy: 1.5190485410636094
Energy: 1.5349894891976683
Energy: 1.519048541064013
Energy: 1.7529074124700015
Energy: 1.9167929240527788
Energy: 2.2688889079005135
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Energy: 1.6058191964472648
Energy: 1.5206991665404408
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Energy: 1.5206991665404408
Energy: 1.6058191964472648
Energy: 1.5206991665404408
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Energy: 1.9016656292516227
Energy: 2.195345797811372
Energy: 1.9040432346331189
Energy: 1.5262324726569176
Energy: 1.8810556522755932
Energy: 1.533625692886252
Energy: 1.6003124754801523
Energy: 2.6466117175352184
Energy: 1.6003124754655407
Energy: 1.533625692886252
Energy: 1.6003124754703841
Energy: 1.5349810420774717
Energy: 1.9167933138583322
Energy: 2.268886102012349
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Energy: 1.5349810420774717
Energy: 1.9167933138583322
Energy: 1.66843710257113
Energy: 1.526237802461924
Energy: 2.256263788998567
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Energy: 1.66843710257113
Energy: 1.5262378024397236
Energy: 1.5958331318341303
Energy: 1.9065317788765437
Energy: 1.9282118148656584
Energy: 1.9071053690672042
Energy: 1.5958331318341303
Energy: 1.9065317788765437
Energy: 1.595828418084029
Energy: 1.8239540218470112
Energy: 2.2574655259251846
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Energy: 1.6099046166624162
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Energy: 1.900671303344649
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Energy: 1.9006769213404913
Energy: 1.5279095538966971
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Energy: 1.92821911172777
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Energy: 1.5958571983032928
Energy: 1.899657222971082
Energy: 1.92821911172777
Energy: 1.899657222971082
Energy: 2.256240080618282
Energy: 1.9034037740144716
Energy: 1.5958519558530564
Energy: 1.9034037740144716
Energy: 2.256240080618282
Energy: 1.9034037740140681
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Energy: 1.9118198097766352
Energy: 1.5437087814862995
Energy: 1.9118198097766352
Energy: 2.268893261514373
Energy: 1.9129640260362868
Energy: 2.2688858292257916
Energy: 1.8580195308812468
Energy: 1.750885221722809
Energy: 1.8580195308812468
Energy: 2.2688858292257916
Energy: 1.8580195308812468
Energy: 2.295410048623621
Energy: 1.870625936668213
Energy: 1.543233897986834
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Energy: 2.295410048623621
Energy: 1.870625936668213
Energy: 2.651660784050898
Energy: 1.8706269847418766
Energy: 1.5339969063809762
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Energy: 2.2688863286323273
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Energy: 1.7555205581826685
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Energy: 2.2688943149172727
Energy: 1.5313815095563499
Energy: 1.5350055691556825
Energy: 1.5313815095563499
Energy: 2.2688943149172727
Energy: 1.5313815095563499
Energy: 1.928213086743316
Energy: 1.899589589168797
Energy: 1.5958534700234752
Energy: 1.899589589168797
Energy: 1.928213086743316
Energy: 1.899589589168797
Energy: 2.256249280605564
Energy: 1.8810577530282604
Energy: 1.595863276909556
Energy: 1.8810577530282604
Energy: 2.256249280605564
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Energy: 1.907427083381085
Energy: 1.52963929395583
Energy: 1.9080226112592578
Energy: 1.5296392944479533
Energy: 1.907427083381085
Energy: 1.5296392938395
Energy: 1.9074037622034112
Energy: 1.5313849883964794
Energy: 1.6099630138382182
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Energy: 1.9074037622034112
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Energy: 1.609915418728526
Energy: 1.527992324337595
Energy: 1.9006779596201289
Energy: 1.5279923243553555
Energy: 1.609915418728526
Energy: 1.527992324319431
Energy: 1.9006654113908739
Energy: 1.8810463458733742
Energy: 1.9074126579679926
Energy: 1.8810463458733742
Energy: 1.9006654113908739
Energy: 1.8810463458733742
Energy: 1.59583327771628
Energy: 1.5928288252766805
Energy: 2.2574676714021296
Energy: 1.5928288252766805
Energy: 1.59583327771628
Energy: 1.5928288252766805
Energy: 1.5958325438400147
Energy: 1.5455751729296567
Energy: 1.9282092024758708
Energy: 1.5455751728980918
Energy: 1.5958325438400147
Energy: 1.5455751729384561
Energy: 1.534979838655956
Energy: 1.6818745602018417
Energy: 2.2562593885293496
Energy: 1.6818745602018417
Energy: 1.534979838655956
Energy: 1.6818745602018417
Energy: 1.5958850110125886
Energy: 1.9065490316218903
Energy: 2.268883001877957
Energy: 1.9065490316218903
Energy: 1.5958850110125886
Energy: 1.9065490316218903
Energy: 1.527128773608043
Energy: 1.5418487302364894
Energy: 2.562939267791415
Energy: 1.5418487302364894
Energy: 1.527128773608043
Energy: 1.5418487302364894
Energy: 1.5438093477926311
Energy: 1.90273047758895
Energy: 2.1953536548054844
Energy: 1.90273047758895
Energy: 1.5438093477926311
Energy: 1.90273047758895
Energy: 1.533624653353783
Energy: 1.6989720412287823
Energy: 2.48209891642886
Energy: 1.6989720412287823
Energy: 1.533624653353783
Energy: 1.6989720412287823
Energy: 1.61262717123994
Energy: 1.9065499455273243
Energy: 2.268885002379337
Energy: 1.9065499455273243
Energy: 1.61262717123994
Energy: 1.9065499455273243
Energy: 1.5350161695195865
Energy: 1.5279089512368909
Energy: 2.4620642679215243
Energy: 1.5279089512368909
Energy: 1.5350161695199902
Energy: 1.5279089512368909
Energy: 1.5958603721128672
Energy: 1.5455517844900633
Energy: 1.9282201102587735
Energy: 1.5455517844905475
Energy: 1.5958603721128672
Energy: 1.5455517844905475
Energy: 1.5958927719336973
Energy: 1.592833544933471
Energy: 1.9073921485448084
Energy: 1.592833544933471
Energy: 1.5958927719336973
Energy: 1.592833544933471
Energy: 1.9080194241927921
Energy: 1.5296547203652244
Energy: 1.9074235581438954
Energy: 1.5296547204366693
Energy: 1.9080194241927921
Energy: 1.5296547204104325

minimum gb energy = 1.519048541063125 eV
minimum distance =  2.40631570851302 Angstroms
sigma value = 81


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

Energy: 2.2611608865621085
Energy: 2.080438541843071
Energy: 2.3449819021162406
Energy: 2.080438541843071
Energy: 2.261160886571859
Energy: 2.080438541843071
Energy: 2.608916078561186
Energy: 1.668759052594441
Energy: 1.65912482404807
Energy: 1.668759052594441
Energy: 2.608916078561186
Energy: 1.668759052594441
Energy: 2.253475874248533
Energy: 2.014625680587451
Energy: 1.7908789125253197
Energy: 2.014625680587451
Energy: 2.253475874248533
Energy: 2.014625680587451
Energy: 2.1820867847191523
Energy: 1.652654199701313
Energy: 1.673994739381095
Energy: 1.652654199701313
Energy: 2.1820867847191523
Energy: 1.652654199701313
Energy: 1.8211333478527028
Energy: 2.026642563731146
Energy: 1.8150545927243293
Energy: 2.026642563731146
Energy: 1.8211333478527028
Energy: 2.026642563731146
Energy: 1.9756855073283084
Energy: 2.0037347146908533
Energy: 1.7531384677141408
Energy: 2.0037347146908533
Energy: 1.9756855073283084
Energy: 2.0037347146908533
Energy: 1.7873942421623332
Energy: 2.0178392852111497
Energy: 1.910959723256365
Energy: 2.0178392852111497
Energy: 1.7873942421623332
Energy: 2.0178392852111497
Energy: 1.7482375771379954
Energy: 2.015207401755624
Energy: 1.7933076025451002
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Energy: 1.7482375771379954
Energy: 2.015207401755624
Energy: 1.6659540652235345
Energy: 1.9387887582902594
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Energy: 1.6659540652235345
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Energy: 1.776774403278439
Energy: 2.015207044862167
Energy: 2.204119452691974
Energy: 2.015207044862167
Energy: 1.776774403278439
Energy: 2.015207044861558
Energy: 1.6582620204694867
Energy: 2.0216233345864847
Energy: 2.338979146974359
Energy: 2.0216233345864847
Energy: 1.6582620204694867
Energy: 2.0216233345864847
Energy: 1.6498742999333726
Energy: 2.091223505017053
Energy: 2.1274972308134874
Energy: 2.091223505017053
Energy: 1.6498742999333726
Energy: 2.091223505017053
Energy: 1.6590282256594155
Energy: 1.9185506368268472
Energy: 2.575966864945093
Energy: 1.9185506368268472
Energy: 1.6590282256594155
Energy: 1.9185506368268472
Energy: 1.7482563709942063
Energy: 2.0152244214477806
Energy: 2.2041041470522984
Energy: 2.0152244214477806
Energy: 1.7482563709942063
Energy: 2.0152244214477806
Energy: 1.7482474050685495
Energy: 2.051758747420077
Energy: 2.182082806650958
Energy: 2.051758747420077
Energy: 1.7482474050685495
Energy: 2.051758747420077
Energy: 1.7531274246793889
Energy: 2.0911957009931226
Energy: 1.7933468446949208
Energy: 2.0911957009931226
Energy: 1.7531274246793889
Energy: 2.0911957009931226
Energy: 1.7531415690048948
Energy: 2.003732392937941
Energy: 2.0846484277975463
Energy: 2.003732392937941
Energy: 1.7531415690048948
Energy: 2.003732392937941
Energy: 2.1820811959146993
Energy: 1.9943013122599271
Energy: 1.7531363991285056
Energy: 1.9943013122599271
Energy: 2.1820811959153086
Energy: 1.9943013122599271
Energy: 2.182087431611357
Energy: 2.08629796655606
Energy: 1.7482447623033248
Energy: 2.08629796655606
Energy: 2.182087431611357
Energy: 2.08629796655606
Energy: 2.204103874336363
Energy: 2.0911987133923424
Energy: 1.6739853526189665
Energy: 2.0911987133929517
Energy: 2.204103874336363
Energy: 2.0911987133929517
Energy: 2.204076112009546
Energy: 2.093434743832688
Energy: 1.857396093692445
Energy: 2.093434743832688
Energy: 2.204076112009546
Energy: 2.093434743832688
Energy: 2.7052175645251473
Energy: 1.6586465492766105
Energy: 1.6583000376296488
Energy: 1.6586465492766105
Energy: 2.7052175645251473
Energy: 1.6586465492766105
Energy: 2.705211830634841
Energy: 2.0117754678012476
Energy: 1.6582818507970518
Energy: 2.0117754678012476
Energy: 2.705211830634841
Energy: 2.0117754678012476
Energy: 2.2040863226373917
Energy: 2.074627813531454
Energy: 1.857948373415906
Energy: 2.074627813531454
Energy: 2.2040863226373917
Energy: 2.0746278135308454
Energy: 2.204097781359715
Energy: 2.0313529777364616
Energy: 1.6659505691607992
Energy: 2.0313529777364616
Energy: 2.204097781359106
Energy: 2.0313529777364616
Energy: 2.1820889681499565
Energy: 2.0817675583875883
Energy: 1.7482378209820073
Energy: 2.0817675583875883
Energy: 2.1820889681499565
Energy: 2.0817675583875883
Energy: 2.1820802435940525
Energy: 1.9942959071994903
Energy: 1.7531540082606982
Energy: 1.9942959071994903
Energy: 2.1820802435940525
Energy: 1.9942959071994903
Energy: 1.7531327169967403
Energy: 2.00376193703624
Energy: 1.9543778908985927
Energy: 2.0037619370356308
Energy: 1.7531327169967403
Energy: 2.00376193703624
Energy: 1.753136945135481
Energy: 2.091199544422013
Energy: 1.7932904490773205
Energy: 2.091199544422013
Energy: 1.753136945135481
Energy: 2.091199544422013
Energy: 1.7482492349018455
Energy: 2.051758747420077
Energy: 2.18208640900737
Energy: 2.051758747420077
Energy: 1.7482492349018455
Energy: 2.051758747420077
Energy: 1.7482558801156045
Energy: 2.0753585241065666
Energy: 2.2040860810154603
Energy: 2.0753585241065666
Energy: 1.7482558801156045
Energy: 2.0753585241065666
Energy: 1.651510409014371
Energy: 2.0015418630963846
Energy: 2.3831923377302027
Energy: 2.0015418630963846
Energy: 1.651510409014371
Energy: 2.0015418630963846
Energy: 1.6687408250056945
Energy: 2.0912172405191054
Energy: 2.127491364281755
Energy: 2.0912172405191054
Energy: 1.6687408250056945
Energy: 2.0912172405191054
Energy: 1.6500141000134518
Energy: 2.021629313291128
Energy: 2.484563410989689
Energy: 2.021629313291128
Energy: 1.6500141000134518
Energy: 2.021629313291128
Energy: 1.776774403278439
Energy: 2.07463702867478
Energy: 2.204094006580484
Energy: 2.07463702867478
Energy: 1.776774403278439
Energy: 2.07463702867478
Energy: 1.6659529423525787
Energy: 1.8497816504523936
Energy: 2.228634806590409
Energy: 1.8497816504523936
Energy: 1.6659529423525787
Energy: 1.8497816504523936
Energy: 1.7482354663332162
Energy: 2.0152272468161763
Energy: 1.7933030436778874
Energy: 2.0152272468161763
Energy: 1.7482354663332162
Energy: 2.0152272468161763
Energy: 1.787393132351018
Energy: 2.0015590046289153
Energy: 1.9715716752360124
Energy: 2.0015590046289153
Energy: 1.7873931323504082
Energy: 2.0015590046289153

minimum gb energy = 1.6498742999333726 eV
minimum distance =  2.35676721071705 Angstroms
sigma value = 43


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

Energy: 2.315249560412261
Energy: 2.146020836728312
Energy: 1.8445656224979547
Energy: 2.146020836728312
Energy: 2.315249560412261
Energy: 2.146020836728312
Energy: 2.6075446786540764
Energy: 1.7793537217240623
Energy: 1.7381984845521825
Energy: 1.7793537217240623
Energy: 2.6075446786540764
Energy: 1.7793537217240623
Energy: 1.8105880880776635
Energy: 2.177317187846891
Energy: 1.7196293856063742
Energy: 2.177317187846891
Energy: 1.8105880880776635
Energy: 2.177317187846891
Energy: 2.2814296199887036
Energy: 1.7196123003919646
Energy: 1.7382268117326451
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Energy: 2.2814296199887036
Energy: 1.7196123003919646
Energy: 1.7524640256787074
Energy: 2.1730607754913907
Energy: 1.7226686355773029
Energy: 2.1730607754913907
Energy: 1.7524640256787074
Energy: 2.1730607754913907
Energy: 1.719535759510762
Energy: 2.137831847460164
Energy: 1.7248247983489058
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Energy: 1.719535759510762
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Energy: 1.7396946967328362
Energy: 1.9499451199833064
Energy: 2.0010505195047523
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Energy: 1.7396946967328362
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Energy: 1.779373470594622
Energy: 2.146011796593071
Energy: 1.8110724131061344
Energy: 2.146011796593071
Energy: 1.779373470594622
Energy: 2.146011796593071
Energy: 1.7366460404411321
Energy: 2.1730735882974974
Energy: 2.2885423676955807
Energy: 2.1730735882974974
Energy: 1.7366460404411321
Energy: 2.1730735882974974
Energy: 1.7368063688203905
Energy: 2.2114991149739085
Energy: 2.281268136583661
Energy: 2.2114991149739085
Energy: 1.7368063688203905
Energy: 2.2114991149739085
Energy: 1.739705519313806
Energy: 2.1378415637357033
Energy: 2.243382576317333
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Energy: 1.739705519313806
Energy: 2.1378415637357033
Energy: 1.71955546416187
Energy: 2.1460144523429996
Energy: 1.811067412630833
Energy: 2.1460144523429996
Energy: 1.71955546416187
Energy: 2.1460144523429996
Energy: 1.7195712379265877
Energy: 1.9427735482379083
Energy: 1.9811279201789778
Energy: 1.9427735482379083
Energy: 1.7195712379265877
Energy: 1.9427735482379083
Energy: 1.7248097255849395
Energy: 2.1460273355264587
Energy: 1.7248335144334295
Energy: 2.1460273355264587
Energy: 1.7248097255849395
Energy: 2.1460273355264587
Energy: 1.7248131325512044
Energy: 2.137855018680761
Energy: 1.7195818268748009
Energy: 2.137855018680761
Energy: 1.7248131325512044
Energy: 2.137855018680761
Energy: 2.2433779530150955
Energy: 2.1460136563871846
Energy: 1.7381359952411846
Energy: 2.1460136563871846
Energy: 2.2433779530150955
Energy: 2.1460136563871846
Energy: 2.243389785992494
Energy: 2.1460080994636948
Energy: 1.9886600785093722
Energy: 2.1460080994636948
Energy: 2.243389785992494
Energy: 2.1460080994636948
Energy: 2.2812533308184983
Energy: 2.146021199446092
Energy: 1.7368433137439783
Energy: 2.146021199446092
Energy: 2.2812533308184983
Energy: 2.146021199446092
Energy: 2.281287122951248
Energy: 2.1460135756733916
Energy: 1.736769263022928
Energy: 2.1460135756733916
Energy: 2.281287122951248
Energy: 2.1460135756733916
Energy: 2.243380924200895
Energy: 2.137837632431087
Energy: 1.738128441395423
Energy: 2.137837632431087
Energy: 2.243380924200895
Energy: 2.137837632431087
Energy: 2.2433881264067397
Energy: 2.252974110242694
Energy: 1.7381579478489717
Energy: 2.252974110242694
Energy: 2.2433881264067397
Energy: 2.252974110242694
Energy: 1.7248226752970273
Energy: 2.1378299081980576
Energy: 1.7195593967765577
Energy: 2.1378299081980576
Energy: 1.7248226752970273
Energy: 2.1378299081980576
Energy: 1.7248232560153811
Energy: 2.146040483664611
Energy: 1.7248343534423103
Energy: 2.146040483664611
Energy: 1.7248232560153811
Energy: 2.146040483664611
Energy: 1.7195405554673389
Energy: 2.1378320316764308
Energy: 1.724818388229159
Energy: 2.1378320316764308
Energy: 1.7195405554673389
Energy: 2.1378320316764308
Energy: 1.7196205850910073
Energy: 2.252977025506391
Energy: 1.8112664634150961
Energy: 2.252977025506391
Energy: 1.7196205850910073
Energy: 2.252977025506391
Energy: 1.7397078284031005
Energy: 2.137836931652514
Energy: 2.2433832331330654
Energy: 2.137836931652514
Energy: 1.7397078284031005
Energy: 2.137836931652514
Energy: 1.7367942765311584
Energy: 2.146016600078065
Energy: 2.2812918929631882
Energy: 2.146016600078065
Energy: 1.7367942765311584
Energy: 2.146016600078065
Energy: 1.7367571131550865
Energy: 2.1460177236797042
Energy: 2.281284037863692
Energy: 2.146017723678956
Energy: 1.7367571131550865
Energy: 2.1460177236797042
Energy: 1.7793772853735295
Energy: 2.146008832508446
Energy: 1.81129656019093
Energy: 2.146008832508446
Energy: 1.7793772853735295
Energy: 2.146008832508446
Energy: 1.7396487262272813
Energy: 1.9499378751074754
Energy: 2.0010468503386387
Energy: 1.9499378751074754
Energy: 1.7396487262272813
Energy: 1.9499378751074754
Energy: 1.7226781856255868
Energy: 2.1378304105288244
Energy: 1.7248263113043016
Energy: 2.1378304105288244
Energy: 1.7226781856255868
Energy: 2.1378304105288244

minimum gb energy = 1.719535759510762 eV
minimum distance =  2.38483464987644 Angstroms
sigma value = 57


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

Energy: 1.9284368290599496
Energy: 2.371172073500437
Energy: 1.9824611201106592
Energy: 2.371172073500437
Energy: 1.9284368290599496
Energy: 2.371172073500437
Energy: 2.2134295062168055
Energy: 1.890450662533342
Energy: 1.8296231584045226
Energy: 1.890450662533342
Energy: 2.2134295062168055
Energy: 1.890450662533342
Energy: 1.8349542971229686
Energy: 2.3549924465814045
Energy: 1.8137485968011402
Energy: 2.3549924465814045
Energy: 1.8349542971229686
Energy: 2.3549924465814045
Energy: 1.8281845258687357
Energy: 1.8102735334367073
Energy: 1.8296210474844998
Energy: 1.8102735334367073
Energy: 1.8281845258687357
Energy: 1.8102735334367073
Energy: 1.832540777185844
Energy: 1.8325096402215715
Energy: 1.8281824246130496
Energy: 1.8325096402215715
Energy: 1.832540777185844
Energy: 1.8325096402215715
Energy: 1.8102918101834855
Energy: 2.323801171491559
Energy: 1.8355025540880705
Energy: 2.323801171491559
Energy: 1.8102918101834855
Energy: 2.323801171491559
Energy: 1.8212124259986338
Energy: 2.098666061598467
Energy: 2.2134350806237735
Energy: 2.098666061598467
Energy: 1.8212124259986338
Energy: 2.098666061598467
Energy: 1.8208041656427596
Energy: 2.3423493547736025
Energy: 1.9286184205660946
Energy: 2.3423493547736025
Energy: 1.8208041656427596
Energy: 2.3423493547736025
Energy: 1.8324763631535985
Energy: 2.3978516091254387
Energy: 2.1707067468179257
Energy: 2.3978516091254387
Energy: 1.8324763631535985
Energy: 2.3978516091254387
Energy: 1.810278802262528
Energy: 2.329118010056366
Energy: 1.8354873930710918
Energy: 2.329118010056366
Energy: 1.810278802262528
Energy: 2.329118010056366
Energy: 1.8103024550178841
Energy: 1.8102505582377577
Energy: 1.8102739900690816
Energy: 1.8102505582377577
Energy: 1.8103024550178841
Energy: 1.8102505582377577
Energy: 1.8240123665191217
Energy: 2.105814401397164
Energy: 1.829631834278228
Energy: 2.105814401397164
Energy: 1.8240123665191217
Energy: 2.105814401397164
Energy: 1.8239924743853109
Energy: 2.3238122047071608
Energy: 1.8454298769668216
Energy: 2.3238122047071608
Energy: 1.8239924743853109
Energy: 2.3238122047071608
Energy: 2.5335650421472056
Energy: 2.329113597554456
Energy: 1.8207982898948571
Energy: 2.329113597554456
Energy: 2.5335650421472056
Energy: 2.329113597554456
Energy: 2.533571425878641
Energy: 2.3423513901002124
Energy: 1.8207907839504551
Energy: 2.3423513901002124
Energy: 2.533571425878641
Energy: 2.3423513901002124
Energy: 1.8240201217519576
Energy: 2.323804912130489
Energy: 1.829645928072052
Energy: 2.323804912130489
Energy: 1.8240201217519576
Energy: 2.323804912130489
Energy: 1.823995809237239
Energy: 2.3423478400573288
Energy: 1.8103466438688125
Energy: 2.3423478400573288
Energy: 1.823995809237239
Energy: 2.3423478400573288
Energy: 1.8102821806031366
Energy: 2.3568832260447055
Energy: 1.8102798239180873
Energy: 2.3568832260447055
Energy: 1.8102821806031366
Energy: 2.3568832260447055
Energy: 1.8103411273375554
Energy: 2.3423486122278394
Energy: 1.8240029075201776
Energy: 2.3423486122278394
Energy: 1.8103411273375554
Energy: 2.3423486122278394
Energy: 1.8296463738261775
Energy: 2.323806351563359
Energy: 1.8240195664415702
Energy: 2.323806351563359
Energy: 1.8296463738261775
Energy: 2.323806351563359
Energy: 1.8207896971117896
Energy: 2.3423495202767532
Energy: 2.5335739786942173
Energy: 2.3423495202767532
Energy: 1.8207896971108204
Energy: 2.3423495202767532
Energy: 1.8207998353983803
Energy: 2.323803549114449
Energy: 2.533567483892422
Energy: 2.323803549114449
Energy: 1.8207998353983803
Energy: 2.323803549114449
Energy: 1.8904071452208897
Energy: 2.323811716527074
Energy: 1.824003643113137
Energy: 2.323811716527074
Energy: 1.8904071452208897
Energy: 2.323811716527074
Energy: 1.8296327294145591
Energy: 2.105815829732879
Energy: 1.8240129196701504
Energy: 2.105815829732879
Energy: 1.8296327294145591
Energy: 2.105815829732879

minimum gb energy = 1.8102505582377577 eV
minimum distance =  2.38470040245998 Angstroms
sigma value = 17


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

Energy: 1.9080253317126386
Energy: 1.9080244212146351
Energy: 1.9275994287641411
Energy: 1.9080244212146351
Energy: 1.9080253317126386
Energy: 1.9080244212146351
Energy: 1.9594761789361907
Energy: 1.879878029596759
Energy: 1.8798744838606334
Energy: 1.879878029596759
Energy: 1.9594761789361907
Energy: 1.879878029596759
Energy: 1.8773773427384524
Energy: 1.8773866489768412
Energy: 1.9275886507777527
Energy: 1.8773866489768412
Energy: 1.8773773427384524
Energy: 1.8773866489768412
Energy: 1.927579833466594
Energy: 1.8773892190752737
Energy: 1.8773994043227458
Energy: 1.8773892190752737
Energy: 1.927579833466594
Energy: 1.8773892190752737
Energy: 1.8798699223447393
Energy: 1.8798708338867063
Energy: 1.9594756028706257
Energy: 1.8798708338867063
Energy: 1.8798699223447393
Energy: 1.8798708338867063
Energy: 1.8798783267245105
Energy: 1.9080167999976625
Energy: 1.9080178243565704
Energy: 1.9080167999976625
Energy: 1.8798783267245105
Energy: 1.9080167999976625
Energy: 1.8799491217035345
Energy: 2.038554245582659
Energy: 1.9594768211210194
Energy: 2.038554245582659
Energy: 1.8799491217035345
Energy: 2.038554245582659
Energy: 1.87742469181668
Energy: 2.312571126665656
Energy: 1.8773965087368514
Energy: 2.312571126665656
Energy: 1.87742469181668
Energy: 2.312571126665656
Energy: 1.8774143866404016
Energy: 1.8773976285858318
Energy: 1.934072689852653
Energy: 1.8773976285858318
Energy: 1.8774143866404016
Energy: 1.8773976285858318
Energy: 1.9080359140388192
Energy: 1.8702565546761887
Energy: 1.8798684730488504
Energy: 1.8702565546761887
Energy: 1.9080359140388192
Energy: 1.8702565546761887
Energy: 1.908036319074676
Energy: 2.536017935908507
Energy: 1.8798713063200765
Energy: 2.536017935908507
Energy: 1.908036319074676
Energy: 2.536017935908507
Energy: 1.877464440731273
Energy: 2.259580030922921
Energy: 1.8798919571517
Energy: 2.259580030922921
Energy: 1.877464440731273
Energy: 2.259580030922921
Energy: 1.877425014950466
Energy: 2.3125742870807664
Energy: 1.877437356830712
Energy: 2.3125742870807664
Energy: 1.877425014950466
Energy: 2.3125742870807664
Energy: 1.8799079548051916
Energy: 1.8774005126744233
Energy: 1.877414744300455
Energy: 1.8774005126744233
Energy: 1.8799079548051916
Energy: 1.8774005126744233
Energy: 1.879925803214637
Energy: 2.5360348761229727
Energy: 1.9080391852500436
Energy: 2.5360348761229727
Energy: 1.879925803214637
Energy: 2.5360348761229727
Energy: 1.8798728523650987
Energy: 2.536092396386646
Energy: 1.9080071126661962
Energy: 2.536092396386646
Energy: 1.8798728523650987
Energy: 2.536092396386646
Energy: 1.8798918429770428
Energy: 2.25960176317815
Energy: 1.8774179178158048
Energy: 2.25960176317815
Energy: 1.8798918429770428
Energy: 2.25960176317815

minimum gb energy = 1.8702565546761887 eV
minimum distance =  2.37349082923062 Angstroms
sigma value = 17


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

Energy: 2.4435719528228534
Energy: 2.623892716475784
Energy: 2.274611513604343
Energy: 2.623892716475784
Energy: 2.4435719528228534
Energy: 2.623892716475784
Energy: 2.2938687589275193
Energy: 1.9220126563830011
Energy: 1.9173706317018984
Energy: 1.9220126563830011
Energy: 2.2938687589275193
Energy: 1.9220126563830011
Energy: 1.9293942205854577
Energy: 1.9961242123920049
Energy: 2.118758780216746
Energy: 1.9961242123920049
Energy: 1.9293942205854577
Energy: 1.9961242123920049
Energy: 2.128203663866203
Energy: 1.9142197464506479
Energy: 2.0098694658231286
Energy: 1.9142197464506479
Energy: 2.128203663866203
Energy: 1.9142197464506479
Energy: 1.9218980517203146
Energy: 1.9518740062571145
Energy: 2.312128400849461
Energy: 1.9518740062571145
Energy: 1.9218980517203146
Energy: 1.9518740062571145
Energy: 2.004686121587818
Energy: 1.9290953457307234
Energy: 2.0456059831594566
Energy: 1.9290953457307234
Energy: 2.004686121587818
Energy: 1.9290953457307234
Energy: 1.9145085762068965
Energy: 2.004689106461818
Energy: 2.370948649639215
Energy: 2.004689106461818
Energy: 1.9145085762068965
Energy: 2.004689106461818
Energy: 2.4986840069864833
Energy: 1.9142108771980737
Energy: 1.914524474346215
Energy: 1.9142108771980737
Energy: 2.4986840069864833
Energy: 1.9142108771980737
Energy: 2.0456088218122055
Energy: 1.9291004159134777
Energy: 1.9276152936068658
Energy: 1.9291004159134777
Energy: 2.0456088218122055
Energy: 1.9291004159134777
Energy: 2.414040037347421
Energy: 1.9757327763957064
Energy: 1.921895303759808
Energy: 1.9652402153459863
Energy: 2.414040037347421
Energy: 1.9757327763957064
Energy: 2.0098689498815023
Energy: 1.9290905591667615
Energy: 1.9962080906090314
Energy: 1.9290905591667615
Energy: 2.0098689498815023
Energy: 1.9290905591667615
Energy: 1.9220217735528897
Energy: 1.9217281839464153
Energy: 1.9293892929278968
Energy: 1.9217281839464153
Energy: 1.9220217735528897
Energy: 1.9217281839464153
Energy: 1.9173693825702374
Energy: 1.919275612561697
Energy: 2.4435980464915734
Energy: 1.9192756125622261
Energy: 1.9173693825702374
Energy: 1.919275612561697
Energy: 1.9220062756527743
Energy: 2.6055279933905884
Energy: 2.4436249270635697
Energy: 2.6055279933905884
Energy: 1.9220062756527743
Energy: 2.6055279933905884
Energy: 1.9164451374520122
Energy: 2.3121608379470673
Energy: 1.996137543665442
Energy: 2.3121608379470673
Energy: 1.9164451374520122
Energy: 2.3121608379470673
Energy: 2.009875540827317
Energy: 2.5314106917861467
Energy: 1.9294056849799317
Energy: 2.5314106917861467
Energy: 2.009875540827317
Energy: 2.5314106917861467
Energy: 2.009906109607437
Energy: 1.9142238138240055
Energy: 1.9276199248128147
Energy: 1.9142238138240055
Energy: 2.009906109607437
Energy: 1.9142238138240055
Energy: 2.4177335228560364
Energy: 2.3540638848846003
Energy: 1.9276230302729818
Energy: 2.3540638848846003
Energy: 2.4177335228560364
Energy: 2.3540638848846003
Energy: 2.3240230753229754
Energy: 1.9290910728678399
Energy: 1.9145309797601595
Energy: 1.9290910728678399
Energy: 2.3240230753229754
Energy: 1.9290910728678399
Energy: 1.9144997692033865
Energy: 2.336813266033829
Energy: 1.914507734021791
Energy: 2.357059653277486
Energy: 1.9144997692033865
Energy: 2.336813266033829
Energy: 1.9145329045129011
Energy: 1.9290912300791503
Energy: 2.4177214203650874
Energy: 1.9290912300791503
Energy: 1.9145329045129011
Energy: 1.9290912300791503
Energy: 1.9276233093450463
Energy: 2.35405373450452
Energy: 2.4177355268183818
Energy: 2.35405373450452
Energy: 1.9276233093450463
Energy: 2.35405373450452
Energy: 1.923503721634282
Energy: 1.9142243619974944
Energy: 2.0099023766409005
Energy: 1.9142243619974944
Energy: 1.923503721634282
Energy: 1.9142243619974944
Energy: 1.9294032909860988
Energy: 2.50237061826948
Energy: 2.0098773582234406
Energy: 2.50237061826948
Energy: 1.9294032909860988
Energy: 2.50237061826948
Energy: 1.9961366684861475
Energy: 2.3121577731725433
Energy: 1.9220518598379739
Energy: 2.3121577731725433
Energy: 1.9961366684861475
Energy: 2.3121577731725433
Energy: 2.4436059141674273
Energy: 2.605529926728857
Energy: 1.9220076545117428
Energy: 2.605529926728857
Energy: 2.4436059141674273
Energy: 2.605529926728857
Energy: 2.4435978711012414
Energy: 1.919275587345188
Energy: 1.917369398745642
Energy: 1.919275587345188
Energy: 2.4435978711012414
Energy: 1.9192755873457172
Energy: 1.9293897985946835
Energy: 1.92173064158708
Energy: 1.9220202688118349
Energy: 1.92173064158708
Energy: 1.9293897985946835
Energy: 1.92173064158708
Energy: 1.996151153096228
Energy: 1.9290895885066572
Energy: 2.0098691924321166
Energy: 1.9290895885066572
Energy: 1.996151153096228
Energy: 1.9290895885066572
Energy: 1.921895809275313
Energy: 2.2797992649135392
Energy: 2.414114230051183
Energy: 2.279799264914068
Energy: 1.921895809275313
Energy: 2.2797992649135392
Energy: 1.927614901424714
Energy: 1.929099755311343
Energy: 2.045608392190183
Energy: 1.929099755311343
Energy: 1.927614901424714
Energy: 1.929099755311343
Energy: 1.9145245454484843
Energy: 1.9142119395953907
Energy: 2.498687000162453
Energy: 1.9142119395953907
Energy: 1.9145245454484843
Energy: 1.9142119395953907
Energy: 2.3709459441034184
Energy: 2.004689066343818
Energy: 1.914510276407556
Energy: 2.004689066343818
Energy: 2.3709459441034184
Energy: 2.004689066343818
Energy: 2.045603368162503
Energy: 1.9290966711092425
Energy: 2.004726981482419
Energy: 1.9290966711092425
Energy: 2.045603368162503
Energy: 1.9290966711092425
Energy: 2.293837625992084
Energy: 1.9518740062571145
Energy: 1.92189651678537
Energy: 1.9518740062571145
Energy: 2.293837625992084
Energy: 1.9518740062571145
Energy: 2.009867782429032
Energy: 1.914219559778664
Energy: 2.1282041580614175
Energy: 1.914219559778664
Energy: 2.009867782429032
Energy: 1.914219559778664
Energy: 2.118758265065018
Energy: 1.9961233027598844
Energy: 1.929392872253737
Energy: 1.9961233027598844
Energy: 2.118758265065018
Energy: 1.9961233027598844
Energy: 1.9173592932683754
Energy: 1.9220118367775605
Energy: 2.2938755287073467
Energy: 1.9220118367775605
Energy: 1.9173592932683754
Energy: 1.9220118367775605
Energy: 2.1648776358862127
Energy: 2.623892716475784
Energy: 2.4435719528228534
Energy: 2.623892716475784
Energy: 2.164877635823275
Energy: 2.623892716475784
Energy: 1.9173706317018984
Energy: 1.9220126563830011
Energy: 2.2938687589275193
Energy: 1.9220126563830011
Energy: 1.9173706317018984
Energy: 1.9220126563830011
Energy: 2.118758780216746
Energy: 1.9961242123920049
Energy: 1.9293942205854577
Energy: 1.9961242123920049
Energy: 2.118758780216746
Energy: 1.9961242123920049
Energy: 2.0098694658231286
Energy: 1.9142197464506479
Energy: 2.128203663866203
Energy: 1.9142197464506479
Energy: 2.0098694658231286
Energy: 1.9142197464511772
Energy: 2.312128400849461
Energy: 1.9518740062571145
Energy: 1.9218980517203146
Energy: 1.9518740062571145
Energy: 2.312128400849461
Energy: 1.9518740062571145

minimum gb energy = 1.9142108771980737 eV
minimum distance =  2.31968702600316 Angstroms
sigma value = 57


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

Energy: 2.2565289138085474
Energy: 2.3018277468402317
Energy: 2.3720210371794113
Energy: 2.3018277468402317
Energy: 2.2565289138085474
Energy: 2.3018277468402317
Energy: 2.1262134679086584
Energy: 1.9354539985525314
Energy: 1.9354246398101536
Energy: 1.9354539985525314
Energy: 2.1262134679086584
Energy: 1.9354539985525314
Energy: 1.9471924083057413
Energy: 1.994399085263124
Energy: 2.1925794887539336
Energy: 1.994399085263124
Energy: 1.9471924083057413
Energy: 1.994399085263124
Energy: 2.2201920712364362
Energy: 2.00538581886064
Energy: 2.203510939664912
Energy: 2.00538581886064
Energy: 2.2201920712364362
Energy: 2.00538581886064
Energy: 1.9049815279246534
Energy: 1.967429191850899
Energy: 2.1082506834319874
Energy: 1.967429191850899
Energy: 1.9049815279246534
Energy: 1.967429191850899
Energy: 2.2395494588567004
Energy: 2.0053838504909933
Energy: 2.2035127972231265
Energy: 2.0053838504901313
Energy: 2.2395494588567004
Energy: 2.0053838504953028
Energy: 1.9471672296043585
Energy: 1.9943425418085472
Energy: 1.9347382316670347
Energy: 1.9943425418085472
Energy: 1.9471672296043585
Energy: 1.9943425418085472
Energy: 2.403432015081362
Energy: 1.9926841753218696
Energy: 1.935434272156738
Energy: 1.9926841753218696
Energy: 2.4034320150805004
Energy: 1.9926841753218696
Energy: 2.06294241420912
Energy: 1.9010611191862024
Energy: 1.9347457683989524
Energy: 1.9010611191862024
Energy: 2.06294241420912
Energy: 1.9010611191862024
Energy: 2.237146776103292
Energy: 1.9347607505766726
Energy: 1.9347529634172398
Energy: 1.9347607505766726
Energy: 2.237146776103292
Energy: 1.9347607505766726
Energy: 1.9471759866142941
Energy: 1.9010625571416868
Energy: 2.2035286826151457
Energy: 1.9010625571416868
Energy: 1.9471759866142941
Energy: 1.9010625571416868
Energy: 1.9674035246200305
Energy: 2.005381024997232
Energy: 2.2035374868058546
Energy: 2.005381024997232
Energy: 1.9674035246200305
Energy: 2.005381024997232
Energy: 1.9049856417264286
Energy: 1.994347710225184
Energy: 2.203520229224512
Energy: 1.994347710225184
Energy: 1.9049856417264286
Energy: 1.994347710225184
Energy: 2.1986407096253875
Energy: 1.949584620535252
Energy: 2.2035466843952918
Energy: 1.949584620535252
Energy: 2.1986407096253875
Energy: 1.949584620535252
Energy: 1.9471724517529065
Energy: 1.9943543355694915
Energy: 1.9354222218805637
Energy: 1.9943543355694915
Energy: 1.9471724517529065
Energy: 1.9943543355694915
Energy: 2.5697283496764998
Energy: 1.9718954117966012
Energy: 1.9354549207727056
Energy: 1.9718954117966012
Energy: 2.5697283496764998
Energy: 1.9718954117966012
Energy: 2.256561998434421
Energy: 2.3076819300093936
Energy: 1.9354745692690583
Energy: 2.3076819300093936
Energy: 2.256561998434421
Energy: 2.3076819300093936
Energy: 2.1986389592235622
Energy: 2.1304769450063015
Energy: 1.9354520067872294
Energy: 2.1304769450063015
Energy: 2.1986389592235622
Energy: 2.1304769450063015
Energy: 1.9471848550248303
Energy: 1.90106057606244
Energy: 2.2035246656083745
Energy: 1.90106057606244
Energy: 1.9471848550248303
Energy: 1.90106057606244
Energy: 2.0034183617796804
Energy: 2.5231901870919127
Energy: 2.203509057391366
Energy: 2.5231901870919127
Energy: 2.0034183617796804
Energy: 2.5231901870919127
Energy: 1.9050129868963332
Energy: 2.5231864909460238
Energy: 2.2035166415822673
Energy: 2.5231864909460238
Energy: 1.9050129868963332
Energy: 2.5231864909460238
Energy: 1.9471835267187352
Energy: 1.901062436004204
Energy: 2.203520777042198
Energy: 1.901062436004204
Energy: 1.9471835267187352
Energy: 1.901062436004204
Energy: 1.9471932010196462
Energy: 2.533801489166409
Energy: 1.9354723125533788
Energy: 2.533801489166409
Energy: 1.9471932010196462
Energy: 2.533801489166409
Energy: 2.0629905315349064
Energy: 1.9010626294142494
Energy: 1.9354239182550315
Energy: 1.9010626294142494
Energy: 2.0629905315349064
Energy: 1.9010626294142494
Energy: 2.0629525617844235
Energy: 2.34329872165577
Energy: 1.9347676106151717
Energy: 2.34329872165577
Energy: 2.0629525617844235
Energy: 2.34329872165577
Energy: 1.947166423571001
Energy: 1.9943510746940012
Energy: 1.9347453420684122
Energy: 1.9943510746940012
Energy: 1.947166423571001
Energy: 1.994351074693139
Energy: 1.9471685771643756
Energy: 1.9010640369429876
Energy: 2.203575822705288
Energy: 1.9010640369429876
Energy: 1.9471685771643756
Energy: 1.9010640369429876

minimum gb energy = 1.90106057606244 eV
minimum distance =  2.36769347935161 Angstroms
sigma value = 43


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

Energy: 2.127243097469787
Energy: 1.9514509479747282
Energy: 2.9371728499101484
Energy: 1.9514509479747282
Energy: 2.127243097469787
Energy: 1.9514509479747282
Energy: 2.0790764187787323
Energy: 1.9278782166018043
Energy: 1.9202795695216137
Energy: 1.9278782166018043
Energy: 2.0790764187787323
Energy: 1.9278782166018043
Energy: 1.921270710596666
Energy: 2.0428397069554483
Energy: 1.9199409363185551
Energy: 2.0428397069554483
Energy: 1.921270710596666
Energy: 2.0428397069554483
Energy: 1.9847169563793852
Energy: 1.9199439558481963
Energy: 2.063290639501545
Energy: 1.9199439558481963
Energy: 1.9847169563793852
Energy: 1.9199439558481963
Energy: 1.9355688687657997
Energy: 1.9705943473351795
Energy: 2.115872668710154
Energy: 1.9705943473351795
Energy: 1.9355688687657997
Energy: 1.9705943473351795
Energy: 2.0349538283332764
Energy: 2.034959591409112
Energy: 1.9514436094824439
Energy: 2.0349595914097396
Energy: 2.0349538283332764
Energy: 2.0349595914097396
Energy: 1.951439265894821
Energy: 2.0348903922464743
Energy: 1.9264999285250342
Energy: 2.0348903922464743
Energy: 1.951439265894821
Energy: 2.0348903922464743
Energy: 2.150438243836595
Energy: 1.97061334265344
Energy: 1.9355713159200723
Energy: 1.97061334265344
Energy: 2.150438243836595
Energy: 1.97061334265344
Energy: 2.0633008072517725
Energy: 1.9199407130347073
Energy: 2.0428890644061815
Energy: 1.9199407130347073
Energy: 2.0633008072517725
Energy: 1.9199407130347073
Energy: 2.2240853462023598
Energy: 2.0428439651407744
Energy: 1.9212763283238583
Energy: 2.0428439651407744
Energy: 2.2240853462023598
Energy: 2.0428439651407744
Energy: 1.9202897324967703
Energy: 1.9766175540304676
Energy: 2.6021824581149953
Energy: 1.9766175540304676
Energy: 1.9202897324967703
Energy: 1.9766175540304676
Energy: 1.9278894720466957
Energy: 1.9501384138317734
Energy: 2.1272362709150325
Energy: 1.9501384138317734
Energy: 1.9278894720466957
Energy: 1.9501384138317734
Energy: 1.9202760075270418
Energy: 1.9278711816119873
Energy: 2.0428969217563946
Energy: 1.9278711816119873
Energy: 1.9202760075270418
Energy: 1.9278711816119873
Energy: 2.063331766528901
Energy: 1.9199424510405154
Energy: 1.9212940335786448
Energy: 1.9199424510405154
Energy: 2.063331766528901
Energy: 1.9199424510405154
Energy: 2.0633005753346647
Energy: 1.9199455398771825
Energy: 1.940679566966206
Energy: 1.9199455398771825
Energy: 2.0633005753346647
Energy: 1.9199455398771825
Energy: 2.034932757664703
Energy: 2.0428683964787746
Energy: 1.9355711065968983
Energy: 2.0428683964787746
Energy: 2.034932757664703
Energy: 2.0428683964787746
Energy: 1.9514506816425758
Energy: 1.9501401879679419
Energy: 2.0349199084717724
Energy: 1.9501401879679419
Energy: 1.9514506816425758
Energy: 1.9501401879679419
Energy: 1.9406879062124456
Energy: 2.034910484049582
Energy: 1.9514418650771272
Energy: 2.034910484049582
Energy: 1.9406879062124456
Energy: 2.034910484049582
Energy: 1.9470511313876362
Energy: 1.9264850515033058
Energy: 2.0633007355854676
Energy: 1.9264850515033058
Energy: 1.9470511313876362
Energy: 1.9264850515033058
Energy: 1.9212737780168123
Energy: 2.317988797395462
Energy: 2.063320968652521
Energy: 2.317988797395462
Energy: 1.9212737780168123
Energy: 2.317988797395462
Energy: 1.9212855042527948
Energy: 2.0428587032560097
Energy: 1.927870324498267
Energy: 2.0428587032560097
Energy: 1.9212855042527948
Energy: 2.0428587032560097
Energy: 2.5619644329540177
Energy: 1.930623541822195
Energy: 1.9202827792030193
Energy: 1.930623541822195
Energy: 2.5619644329540177
Energy: 1.930623541822195
Energy: 2.3356960066185084
Energy: 2.543202291748082
Energy: 1.9278836111775262
Energy: 2.543202291748082
Energy: 2.3356960066185084
Energy: 2.543202291748082
Energy: 1.9212723749998823
Energy: 1.9264855560151866
Energy: 1.92790033058554
Energy: 1.9264855560151866
Energy: 1.9212723749998823
Energy: 1.9264855560158143
Energy: 1.9212885970630174
Energy: 2.3179823697885324
Energy: 2.0632986871900156
Energy: 2.3179823697885324
Energy: 1.9212885970630174
Energy: 2.3179823697885324
Energy: 1.9407181555370834
Energy: 1.9199386019632692
Energy: 2.0632914521184564
Energy: 1.9199386019632692
Energy: 1.9407181555370834
Energy: 1.9199386019632692
Energy: 1.919304220238263
Energy: 1.9264880630003247
Energy: 2.0349030731736195
Energy: 1.9264880630003247
Energy: 1.919304220238891
Energy: 1.9264880630003247
Energy: 2.0349031516743548
Energy: 2.5432180524881813
Energy: 2.034905111286372
Energy: 2.5432180524881813
Energy: 2.0349031516743548
Energy: 2.5432180524881813
Energy: 2.034905240350797
Energy: 1.9264880742125792
Energy: 1.9407557310396317
Energy: 1.9264880742125792
Energy: 2.034905240350797
Energy: 1.9264880742125792
Energy: 2.0632906983331565
Energy: 1.9199385901064232
Energy: 1.9406891965973596
Energy: 1.9199385901064232
Energy: 2.0632906983331565
Energy: 1.9199385901064232
Energy: 2.0632966620732187
Energy: 2.3180045590965115
Energy: 1.9212890197545607
Energy: 2.3180045590965115
Energy: 2.0632966620725908
Energy: 2.3180045590965115
Energy: 1.9278973469772749
Energy: 1.9264883520657523
Energy: 1.9212720256366427
Energy: 1.9264883520657523
Energy: 1.9278973469772749
Energy: 1.9264883520657523
Energy: 1.9278829199878948
Energy: 2.5432020337893433
Energy: 2.561978304755487
Energy: 2.5432020337893433
Energy: 1.9278829199878948
Energy: 2.5432020337893433
Energy: 1.920283378757245
Energy: 1.930624946846938
Energy: 2.5619708754719546
Energy: 1.930624946846938
Energy: 1.920283378757245
Energy: 1.930624946846938
Energy: 1.9278698722245755
Energy: 2.0428592353183643
Energy: 1.921290234525245
Energy: 2.0428592353183643
Energy: 1.9278698722245755
Energy: 2.0428592353183643
Energy: 2.063320837649298
Energy: 2.317986539390617
Energy: 1.921272850336338
Energy: 2.317986539390617
Energy: 2.063320837649298
Energy: 2.317986539390617

minimum gb energy = 1.919304220238263 eV
minimum distance =  2.34682210532173 Angstroms
sigma value = 81


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

Energy: 1.8223727731998365
Energy: 1.8223802666811744
Energy: 3.3303427918162027
Energy: 1.8223802666811744
Energy: 1.8223727732000725
Energy: 1.8223802666811744
Energy: 1.8223796333492148
Energy: 1.822381359267445
Energy: 1.8223750012243323
Energy: 1.822381359267445
Energy: 1.8223796333492148
Energy: 1.822381359267445
Energy: 1.82237437688486
Energy: 1.8223778582178598
Energy: 2.1658904127796514
Energy: 1.8223778582178598
Energy: 1.82237437688486
Energy: 1.8223778582178598
Energy: 3.3303427918162027
Energy: 1.8223802666811744
Energy: 1.8223727731998365
Energy: 1.8223802666811744
Energy: 3.3303427918162027
Energy: 1.8223802666811744
Energy: 1.8223750012243323
Energy: 1.822381359267445
Energy: 1.8223796333494509
Energy: 1.822381359267445
Energy: 1.8223750012243323
Energy: 1.822381359267445
Energy: 1.8488788780950374
Energy: 1.8223778582178598
Energy: 1.82237437688486
Energy: 1.8223778582178598
Energy: 1.8488788780950374
Energy: 1.8223778582178598
Energy: 1.8223727732000725
Energy: 1.8223802666811744
Energy: 2.408255105758665
Energy: 1.8223802666811744
Energy: 1.8223727732000725
Energy: 1.8223802666811744
Energy: 1.8223796333496867
Energy: 1.822381359267445
Energy: 1.8223750012243323
Energy: 1.822381359267445
Energy: 1.8223796333501328
Energy: 1.822381359267445
Energy: 1.8223743768846241
Energy: 1.8223778582178598
Energy: 1.8488788780952472
Energy: 1.8223778582178598
Energy: 1.8223743768846241
Energy: 1.8223778582178598
Energy: 2.408255105749463
Energy: 1.8223802666811744
Energy: 1.8223727731998365
Energy: 1.8223802666811744
Energy: 2.4082551056779677
Energy: 1.8223802666811744

minimum gb energy = 1.8223727731998365 eV
minimum distance =  2.36460995285566 Angstroms
sigma value = 3


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

Energy: 2.5878782489979493
Energy: 2.323994413400943
Energy: 2.883344158722357
Energy: 2.323994413400943
Energy: 2.5878782489979493
Energy: 2.323994413400943
Energy: 2.3799287985457536
Energy: 2.097869277425583
Energy: 1.950914084921471
Energy: 2.097869277425583
Energy: 2.3799287985457536
Energy: 2.097869277425583
Energy: 1.9459379550574583
Energy: 1.945944418827373
Energy: 1.9496251355284535
Energy: 1.945944418827373
Energy: 1.9459379550574583
Energy: 1.945944418827373
Energy: 1.946367454644494
Energy: 2.2815357086125725
Energy: 2.147012684413646
Energy: 2.2815357086125725
Energy: 1.9463674546417322
Energy: 2.2815357086125725
Energy: 2.09854717304985
Energy: 2.098548876566191
Energy: 1.9496307400842245
Energy: 2.0985488765668814
Energy: 2.09854717304985
Energy: 2.0985488765668814
Energy: 2.174699662301924
Energy: 1.9784686621290575
Energy: 1.9229786912855211
Energy: 1.9784686621290575
Energy: 2.174699662301924
Energy: 1.9784686621290575
Energy: 2.0985525729753842
Energy: 2.098551234841647
Energy: 1.9854089963150319
Energy: 2.098551234841647
Energy: 2.0985525729753842
Energy: 2.098551234841647
Energy: 2.097573287113989
Energy: 2.2815344239410162
Energy: 2.1460883358625558
Energy: 2.2815344239410162
Energy: 2.097573287113989
Energy: 2.2815344239410162
Energy: 1.944675443078819
Energy: 1.9446623559288232
Energy: 2.054958606818267
Energy: 1.9446623559288232
Energy: 1.944675443078819
Energy: 1.9446623559288232
Energy: 1.9463643228100707
Energy: 2.097864469183081
Energy: 1.951270813349093
Energy: 2.097864469183081
Energy: 1.9463643228100707
Energy: 2.097864469183081
Energy: 2.3890083689410124
Energy: 1.9988084424258705
Energy: 2.0968177776071113
Energy: 1.9988084424258705
Energy: 2.3890083689410124
Energy: 1.9988084424258705
Energy: 2.3891836179165256
Energy: 1.949627983487171
Energy: 1.9512705352661766
Energy: 1.949627983487171
Energy: 2.3891836179165256
Energy: 1.949627983487171
Energy: 1.9463151261509062
Energy: 2.105085298939286
Energy: 1.9509126708472624
Energy: 2.105085298939286
Energy: 1.9463151261509062
Energy: 2.105085298939286
Energy: 1.9459284579202134
Energy: 2.5972220059907225
Energy: 2.14610715615873
Energy: 2.5972220059907225
Energy: 1.9459284579202134
Energy: 2.5972220059907225
Energy: 2.0975718455085124
Energy: 1.998789101084324
Energy: 2.1461091943822477
Energy: 1.998789101084324
Energy: 2.0975718455085124
Energy: 1.998789101084324
Energy: 2.0975780013613248
Energy: 1.98714530944074
Energy: 1.923002287049462
Energy: 1.98714530944074
Energy: 2.0975780013613248
Energy: 1.98714530944074
Energy: 2.097575217491094
Energy: 2.42075000210917
Energy: 1.9229801153766806
Energy: 2.42075000210917
Energy: 2.097575217491094
Energy: 2.42075000210917
Energy: 2.0975948202251895
Energy: 2.187243883801081
Energy: 2.1460940120773646
Energy: 2.187243883801081
Energy: 2.0975948202251895
Energy: 2.187243883801081
Energy: 1.9463370476792285
Energy: 1.991605697637726
Energy: 2.1461009584865898
Energy: 1.9916056976342738
Energy: 1.9463370476792285
Energy: 1.9916056976218464
Energy: 1.9459367198006041
Energy: 1.9463790140314003
Energy: 1.9512632089034045
Energy: 1.9463790140314003
Energy: 1.9459367198006041
Energy: 1.9463790140314003
Energy: 2.3170840457230355
Energy: 2.158324597119472
Energy: 1.9509205969839412
Energy: 2.158324597119472
Energy: 2.3170840457230355
Energy: 2.1583245971201626
Energy: 2.5878939005505264
Energy: 2.1352670333063393
Energy: 2.096822156968547
Energy: 2.1352670333063393
Energy: 2.5878939005505264
Energy: 2.1352670333063393
Energy: 1.9463146457282432
Energy: 2.0968318598719855
Energy: 1.9509229245888022
Energy: 2.0968318598719855
Energy: 1.9463146457282432
Energy: 2.0968318598719855
Energy: 1.9459390778083046
Energy: 1.9446634205233424
Energy: 2.1689485394843175
Energy: 1.9446634205233424
Energy: 1.9459390778083046
Energy: 1.9446634205233424
Energy: 1.9975594814819797
Energy: 2.1956241968504364
Energy: 2.146096365636612
Energy: 2.1956241968504364
Energy: 1.9975594814819797
Energy: 2.1956241968504364
Energy: 2.097575112988341
Energy: 2.2874986632892416
Energy: 1.978462524110759
Energy: 2.2874986632892416
Energy: 2.097575112988341
Energy: 2.2874986632892416
Energy: 1.9916147430664173
Energy: 1.9854130918677324
Energy: 1.9229786350622056
Energy: 1.9854130918677324
Energy: 1.9916147430664173
Energy: 1.9854130918677324
Energy: 2.097572282182978
Energy: 1.9987871732219702
Energy: 2.1689170906402033
Energy: 1.9987871732219702
Energy: 2.097572282182978
Energy: 1.9987871732219702
Energy: 1.9904323337407377
Energy: 2.281540434221886
Energy: 2.1470141487914067
Energy: 2.281540434221886
Energy: 1.9904323337407377
Energy: 2.281540434221886
Energy: 1.9463744599767232
Energy: 1.9463709288807938
Energy: 2.140388675198471
Energy: 1.9463709288807938
Energy: 1.9463744599767232
Energy: 1.9463709288807938
Energy: 2.6606040996074865
Energy: 2.0978648071986425
Energy: 1.9509123813050826
Energy: 2.0978648071986425
Energy: 2.6606040996074865
Energy: 2.0978648071986425
Energy: 2.3890057997897727
Energy: 2.3891919554558236
Energy: 1.9871359129237187
Energy: 2.3891919554558236
Energy: 2.3890057997897727
Energy: 2.3891919554558236
Energy: 2.387628453900317
Energy: 2.096824889837528
Energy: 1.950915650443921
Energy: 2.096824889837528
Energy: 2.387628453900317
Energy: 2.096824889837528

minimum gb energy = 1.9229786350622056 eV
minimum distance =  2.2701014803827 Angstroms
sigma value = 67


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

Energy: 2.2014504047226198
Energy: 2.378276281240197
Energy: 1.9669176200295726
Energy: 2.378276281240197
Energy: 2.2014504047226198
Energy: 2.378276281240197
Energy: 2.39694609372637
Energy: 2.1014110943083697
Energy: 1.9966031748038355
Energy: 2.1014110943083697
Energy: 2.39694609372637
Energy: 2.1014110943083697
Energy: 1.9706520887259393
Energy: 2.0584473780662664
Energy: 2.089885998516632
Energy: 2.0584473780662664
Energy: 1.9706520887259393
Energy: 2.0584473780662664
Energy: 1.993989703609098
Energy: 2.373699032483328
Energy: 2.1159293321792756
Energy: 2.373699032483328
Energy: 1.993989703609098
Energy: 2.373699032483328
Energy: 2.114669139586196
Energy: 2.3736967423946305
Energy: 2.350657207814342
Energy: 2.3736967423946305
Energy: 2.114669139586196
Energy: 2.3736967423946305
Energy: 2.1146879669379577
Energy: 1.9753865897277467
Energy: 1.970171358035744
Energy: 1.9753865897277467
Energy: 2.1146879669379577
Energy: 1.9753865897277467
Energy: 1.97911463705883
Energy: 2.1000835292492868
Energy: 1.9939934430021582
Energy: 2.1000835292492868
Energy: 1.97911463705883
Energy: 2.1000835292492868
Energy: 2.1000661228455306
Energy: 2.4751362687311866
Energy: 2.475126025485263
Energy: 2.4751362687311866
Energy: 2.1000661228455306
Energy: 2.4751362687311866
Energy: 2.1000688172863704
Energy: 2.100077567929008
Energy: 2.475140712913129
Energy: 2.100077567929008
Energy: 2.1000688172863704
Energy: 2.100077567929008
Energy: 2.1000954281905924
Energy: 1.9754065735049635
Energy: 1.977999982261399
Energy: 1.9754065735049635
Energy: 2.1000954281905924
Energy: 1.9754065735049635
Energy: 2.114677396988591
Energy: 1.978357668475556
Energy: 1.9820637352781132
Energy: 1.978357668475556
Energy: 2.114677396988591
Energy: 1.978357668475556
Energy: 2.114668801598995
Energy: 2.1020987262782347
Energy: 2.11467839416964
Energy: 2.1020987262782347
Energy: 2.114668801598995
Energy: 2.1020987262782347
Energy: 1.9906929415737982
Energy: 1.978345789512538
Energy: 2.1146757853837066
Energy: 1.978345789512538
Energy: 1.9906929415737982
Energy: 1.978345789512538
Energy: 1.9767876959416835
Energy: 2.113570825519761
Energy: 2.100094653270642
Energy: 2.113570825519761
Energy: 1.9767876959416835
Energy: 2.113570825519761
Energy: 2.626548765896114
Energy: 2.3542959330940674
Energy: 2.100072099346446
Energy: 2.3542959330940674
Energy: 2.626548765896114
Energy: 2.3542959330940674
Energy: 2.7670582455093533
Energy: 2.251072346768323
Energy: 2.100078668388203
Energy: 2.251072346768323
Energy: 2.7670582455093533
Energy: 2.251072346768323
Energy: 1.9906828700683976
Energy: 2.1014233576550354
Energy: 2.100076482927738
Energy: 2.1014233576550354
Energy: 1.9906828700683976
Energy: 2.1014233576550354
Energy: 1.971915280172089
Energy: 1.9753837025070589
Energy: 2.1146664340022316
Energy: 1.9753837025070589
Energy: 1.971915280172089
Energy: 1.9753837025070589
Energy: 2.3506511070234564
Energy: 2.373700768106753
Energy: 2.114665502864567
Energy: 2.373700768106753
Energy: 2.3506511070234564
Energy: 2.373700768106753
Energy: 2.115933977720584
Energy: 2.373722980678773
Energy: 2.1421844108530146
Energy: 2.373722980678773
Energy: 2.115933977720584
Energy: 2.373722980678773
Energy: 2.2215803397369163
Energy: 2.12176163453831
Energy: 1.9781604217089512
Energy: 2.12176163453831
Energy: 2.2215803397369163
Energy: 2.12176163453831
Energy: 1.9966024327024738
Energy: 2.101408605515224
Energy: 1.9687099330995141
Energy: 2.101408605515224
Energy: 1.9966024327024738
Energy: 2.101408605515224
Energy: 1.9957290240627317
Energy: 2.4751311029355825
Energy: 2.0436840273515604
Energy: 2.4751311029355825
Energy: 1.9957290240627317
Energy: 2.4751311029355825

minimum gb energy = 1.9669176200295726 eV
minimum distance =  2.28075952640968 Angstroms
sigma value = 33


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

Energy: 2.2994382801629474
Energy: 2.610935028447073
Energy: 2.0111119041102454
Energy: 2.610935028447073
Energy: 2.2994382801629474
Energy: 2.610935028447073
Energy: 2.0333388774921075
Energy: 2.249388176892683
Energy: 1.9735568091442943
Energy: 2.249388176892683
Energy: 2.0333388774921075
Energy: 2.249388176892683
Energy: 1.9840985364259371
Energy: 2.0264000010982235
Energy: 2.0057481799589
Energy: 2.0264000010982235
Energy: 1.9840985364259371
Energy: 2.0264000010982235
Energy: 2.0588192930691114
Energy: 2.2298450732354325
Energy: 1.9999399565678084
Energy: 2.2298450732354325
Energy: 2.0588192930691114
Energy: 2.2298450732354325
Energy: 2.2455790996581753
Energy: 2.4211912224177654
Energy: 2.1179451657701778
Energy: 2.4211912224177654
Energy: 2.2455790996581753
Energy: 2.4211912224177654
Energy: 2.245569489171809
Energy: 2.0890643439674985
Energy: 1.9730083441443351
Energy: 2.0890643439674985
Energy: 2.245569489171809
Energy: 1.979519710047505
Energy: 1.9730201146711277
Energy: 1.9836542379375914
Energy: 1.9855328488216624
Energy: 1.9836542379375914
Energy: 1.9730201146711277
Energy: 1.9836542379375914
Energy: 1.9855184792462046
Energy: 2.491703083384767
Energy: 2.245596438079825
Energy: 2.491703083384767
Energy: 1.9855184792462046
Energy: 2.491703083384767
Energy: 2.2285333417890407
Energy: 2.275380274885652
Energy: 2.24558539187803
Energy: 2.275380274885652
Energy: 2.2285333417890407
Energy: 2.275380274885652
Energy: 1.9958714961968784
Energy: 1.9792821871105828
Energy: 1.972995478248555
Energy: 1.9792821871105828
Energy: 1.9958714961968784
Energy: 2.3071338365607637
Energy: 1.9737932370265403
Energy: 2.113450088038251
Energy: 1.9827813007374337
Energy: 2.113450088038251
Energy: 1.9737932370265403
Energy: 2.113450088038251
Energy: 1.9694729773293267
Energy: 2.124662357348406
Energy: 2.6109854513596136
Energy: 2.124662357348406
Energy: 1.9694729773293267
Energy: 2.124662357348406
Energy: 2.2478992833994633
Energy: 2.442184907600868
Energy: 2.2982634014108267
Energy: 2.442184907600868
Energy: 2.2478992833994633
Energy: 2.442184907600868
Energy: 1.973564240058262
Energy: 2.247898234130953
Energy: 1.9909550231054118
Energy: 2.247898234130953
Energy: 1.973564240058262
Energy: 2.247898234130953
Energy: 2.1239894264017396
Energy: 2.0263931324464424
Energy: 1.9730023140588369
Energy: 2.0263931324464424
Energy: 2.1239894264017396
Energy: 2.0263931324464424
Energy: 1.9999418581918222
Energy: 2.2298568423568477
Energy: 2.0057365093532478
Energy: 2.2298568423568477
Energy: 1.9999418581918222
Energy: 2.2298568423568477
Energy: 2.0141709633340903
Energy: 2.6041286015913876
Energy: 2.2467824279500834
Energy: 2.6041286015913876
Energy: 2.0141709633340903
Energy: 2.6041286015913876
Energy: 1.9718918163406325
Energy: 1.985224657284639
Energy: 2.033339018333669
Energy: 1.985224657284015
Energy: 1.9718918163406325
Energy: 1.985224657284639
Energy: 2.1179429385658026
Energy: 1.9852260131579362
Energy: 1.9718902713924664
Energy: 1.9852260131579362
Energy: 2.1179429385658026
Energy: 1.9852260131579362
Energy: 2.2455694041801446
Energy: 2.421192359684657
Energy: 1.9855206043011229
Energy: 2.421192359684657
Energy: 2.2455694041801446
Energy: 2.421192359684657
Energy: 2.3037391600950934
Energy: 2.2398452288658914
Energy: 1.995856343722348
Energy: 2.2398452288658914
Energy: 2.3037391600950934
Energy: 2.2398452288658914
Energy: 1.9730149127462413
Energy: 1.9795243799336224
Energy: 2.228528068938008
Energy: 1.9795243799336224
Energy: 1.9730149127462413
Energy: 1.9795243799336224
Energy: 1.9915562390150434
Energy: 2.247911839210175
Energy: 1.9694821922854786
Energy: 2.247911839210175
Energy: 1.9915562390150434
Energy: 2.247911839210175
Energy: 2.298275152082542
Energy: 2.248748323329003
Energy: 1.9759774173026332
Energy: 2.248748323329003
Energy: 2.298275152082542
Energy: 2.248748323329003
Energy: 2.6109581900248005
Energy: 2.124676540576292
Energy: 1.9737906969624817
Energy: 2.124676540576292
Energy: 2.6109581900248005
Energy: 2.124676540576292
Energy: 1.9827638495741697
Energy: 1.985528206560168
Energy: 1.9694671222044433
Energy: 1.985528206560168
Energy: 1.9827638495741697
Energy: 1.985528206560168
Energy: 1.9730068695520735
Energy: 1.979524030593129
Energy: 2.2285290728602174
Energy: 1.979524030593129
Energy: 1.9730068695520735
Energy: 1.979524030593129
Energy: 2.2455641909150517
Energy: 2.2487504469647575
Energy: 1.995873053734097
Energy: 2.2487504469647575
Energy: 2.2455641909150517
Energy: 2.2487504469647575
Energy: 2.2455820230070946
Energy: 2.4917061270546146
Energy: 1.9855177789077676
Energy: 2.4917061270546146
Energy: 2.2455820230070946
Energy: 2.4917061270546146
Energy: 1.9855240369025318
Energy: 1.9852242345178681
Energy: 1.9719014026613824
Energy: 1.9852242345178681
Energy: 1.9855240369025318
Energy: 1.9852242345178681
Energy: 1.9730163816206572
Energy: 2.1959857877405704
Energy: 2.3037435816554206
Energy: 2.1959857877405704
Energy: 1.9730163816206572
Energy: 2.1959857877405704
Energy: 2.0057347352188866
Energy: 2.6041342790183717
Energy: 2.2455717720052686
Energy: 2.6041342790183717
Energy: 2.0057347352188866
Energy: 2.6041342790183717
Energy: 1.9998170671325899
Energy: 2.229842449699975
Energy: 1.9909507334793404
Energy: 2.229842449699975
Energy: 1.9998170671319657
Energy: 2.229842449699975
Energy: 2.033336256656432
Energy: 2.0263903069432483
Energy: 1.9729958197764979
Energy: 2.0263903069432483
Energy: 2.033336256656432
Energy: 2.0263903069432483
Energy: 1.9735533412629247
Energy: 2.249391763903437
Energy: 2.0057547586028064
Energy: 2.249391763903437
Energy: 1.9735533412629247
Energy: 2.249391763903437
Energy: 2.014095731258452
Energy: 2.6109414479544353
Energy: 2.2982768016391635
Energy: 2.6109414479550592
Energy: 2.014095731258452
Energy: 2.6109414479544353
Energy: 1.9694686259920304
Energy: 2.4239468173942265
Energy: 2.3209919048669256
Energy: 2.4239468173942265
Energy: 1.9694686259920304
Energy: 2.4239468173942265

minimum gb energy = 1.9694671222044433 eV
minimum distance =  2.25748542756697 Angstroms
sigma value = 41


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

Energy: 1.8944284895766836
Energy: 2.708649807861395
Energy: 2.792722450940235
Energy: 2.708649807861395
Energy: 1.8944284895766836
Energy: 2.708649807861395
Energy: 2.564436576748139
Energy: 1.8434870285418214
Energy: 1.8382664518017893
Energy: 1.8434870285418214
Energy: 2.564436576748139
Energy: 1.8434870285418214
Energy: 1.89444275891692
Energy: 2.0417751993308544
Energy: 1.8382413645845803
Energy: 2.0417751993308544
Energy: 1.89444275891692
Energy: 2.0417751993308544
Energy: 2.634083016388163
Energy: 1.8434810474515684
Energy: 1.8382469210761423
Energy: 1.8434810474515684
Energy: 2.634083016388163
Energy: 1.8434810474515684
Energy: 1.88870189518341
Energy: 2.3802570865630335
Energy: 1.8382776064514392
Energy: 2.3802570865630335
Energy: 1.88870189518341
Energy: 2.3802570865630335
Energy: 1.8944627512580958
Energy: 1.9530383111573961
Energy: 1.8435056726649062
Energy: 1.9530383111573961
Energy: 1.8944627512580958
Energy: 1.9530383111573961
Energy: 2.6866833670789037
Energy: 1.8434759340960638
Energy: 1.8382522492908435
Energy: 1.8434759340960638
Energy: 2.6866833670789037
Energy: 1.8434759340960638
Energy: 1.8944462396407145
Energy: 1.8382436321011673
Energy: 1.8435017711490087
Energy: 1.8382436321011673
Energy: 1.8944462396407145
Energy: 1.8382436321011673
Energy: 2.686699075442108
Energy: 1.953053859766004
Energy: 1.8382588650684335
Energy: 1.953053859766004
Energy: 2.686699075442108
Energy: 1.953053859766004
Energy: 1.8886900728405673
Energy: 2.380314105974971
Energy: 1.8382469751418065
Energy: 2.380314105974971
Energy: 1.8886900728405673
Energy: 2.380314105974971
Energy: 2.634092147329366
Energy: 1.8434750024700328
Energy: 1.8434733376431913
Energy: 1.8434750024700328
Energy: 2.634092147329366
Energy: 1.8434750024700328
Energy: 1.8886885816220014
Energy: 2.041774392827006
Energy: 2.5927618247089996
Energy: 2.041774392827006
Energy: 1.8886885816220014
Energy: 2.041774392827006
Energy: 2.6340784959597925
Energy: 1.8434750852836164
Energy: 1.8434766301710233
Energy: 1.8434750852836164
Energy: 2.6340784959597925
Energy: 1.8434750852836164
Energy: 1.8886890021602953
Energy: 2.3802981631506706
Energy: 1.838246424167381
Energy: 2.3802981631506706
Energy: 1.8886890021602953
Energy: 2.3802981631506706

minimum gb energy = 1.8382413645845803 eV
minimum distance =  2.31850725008139 Angstroms
sigma value = 11


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

Energy: 2.5126353013666094
Energy: 2.1496743848777005
Energy: 2.6398501133816015
Energy: 2.1496743848777005
Energy: 2.5126353013666094
Energy: 2.1496743848777005
Energy: 2.558060792249431
Energy: 2.4374510041355135
Energy: 2.136444053787491
Energy: 2.4374510041355135
Energy: 2.558060792249431
Energy: 2.4374510041355135
Energy: 2.1364313465990783
Energy: 2.416580114737267
Energy: 2.1368761179792637
Energy: 2.416580114737267
Energy: 2.1364313465990783
Energy: 2.416580114737267
Energy: 2.150290064291523
Energy: 2.1502885670588485
Energy: 2.1364433588561265
Energy: 2.1502885670588485
Energy: 2.150290064291523
Energy: 2.1502885670588485
Energy: 2.41153123611275
Energy: 2.4227870619469067
Energy: 2.150639480020021
Energy: 2.422787061947655
Energy: 2.41153123611275
Energy: 2.4227870619469067
Energy: 2.1865985648944806
Energy: 2.431633234350586
Energy: 2.411527230264065
Energy: 2.431633234350586
Energy: 2.1865985648952293
Energy: 2.431633234350586
Energy: 2.150302359707818
Energy: 2.5356174425457367
Energy: 2.1866208920880235
Energy: 2.5356174425457367
Energy: 2.150302359707818
Energy: 2.5356174425457367
Energy: 2.1368705141135975
Energy: 2.150302979398501
Energy: 2.2740960603519214
Energy: 2.150302979398501
Energy: 2.1368705141135975
Energy: 2.150302979398501
Energy: 2.4636506076014646
Energy: 2.2286582166703797
Energy: 2.1364542575427086
Energy: 2.2286582166703797
Energy: 2.4636506076014646
Energy: 2.2286582166703797
Energy: 2.1364286085349913
Energy: 2.581884987846718
Energy: 2.2958586742808738
Energy: 2.581884987846718
Energy: 2.1364286085349913
Energy: 2.581884987846718
Energy: 2.4374441038485446
Energy: 2.5952242388958067
Energy: 2.447541879202103
Energy: 2.5952242388958067
Energy: 2.4374441038485446
Energy: 2.5952242388958067
Energy: 2.136441132726704
Energy: 2.435895936476373
Energy: 2.447511512918719
Energy: 2.435895936476373
Energy: 2.136441132726704
Energy: 2.435895936476373
Energy: 2.136441182261429
Energy: 2.410037130355492
Energy: 2.2767090412816215
Energy: 2.410037130355492
Energy: 2.136441182261429
Energy: 2.410037130355492
Energy: 2.1502930872357036
Energy: 2.228690146218992
Energy: 2.1502918076556705
Energy: 2.228690146218992
Energy: 2.1502930872357036
Energy: 2.228690146218992
Energy: 2.1364524677705647
Energy: 2.4216718074532553
Energy: 2.4115274729395915
Energy: 2.4216718074532553
Energy: 2.1364524677705647
Energy: 2.4216718074532553
Energy: 2.588889532173791
Energy: 2.53561360917552
Energy: 2.1865860802040733
Energy: 2.53561360917552
Energy: 2.588889532173791
Energy: 2.53561360917552
Energy: 2.1866222738245287
Energy: 2.5356230459812
Energy: 2.4146135034270477
Energy: 2.5356230459812
Energy: 2.1866222738245287
Energy: 2.5356230459812
Energy: 2.411529249278473
Energy: 2.4216931963253643
Energy: 2.1364316441604303
Energy: 2.4216931963253643
Energy: 2.411529249278473
Energy: 2.4216931963253643
Energy: 2.15032454817127
Energy: 2.410219487003725
Energy: 2.150293629420165
Energy: 2.410219487003725
Energy: 2.15032454817127
Energy: 2.410219487003725
Energy: 2.136430710714301
Energy: 2.410272464656681
Energy: 2.13643973444596
Energy: 2.410272464656681
Energy: 2.136430710714301
Energy: 2.410272464656681
Energy: 2.4475359455440207
Energy: 2.4358679422210443
Energy: 2.1364372221009216
Energy: 2.4358679422210443
Energy: 2.4475359455440207
Energy: 2.4358679422210443
Energy: 2.447564524354485
Energy: 2.595234594931761
Energy: 2.441517073436408
Energy: 2.595234594931761
Energy: 2.447564524354485
Energy: 2.595234594931761
Energy: 2.2958639852195337
Energy: 2.55696192600237
Energy: 2.166497295985944
Energy: 2.55696192600237
Energy: 2.2958639852195337
Energy: 2.55696192600237
Energy: 2.1364376358819683
Energy: 2.228678199140795
Energy: 2.463628892197589
Energy: 2.228678199140795
Energy: 2.1364376358819683
Energy: 2.228678199140046
Energy: 2.2741059096248004
Energy: 2.1503040501950363
Energy: 2.136869386496378
Energy: 2.1503040501950363
Energy: 2.2741059096248004
Energy: 2.1503040501950363
Energy: 2.1866136863200065
Energy: 2.5356259759096673
Energy: 2.150307862212329
Energy: 2.5356259759096673
Energy: 2.1866136863200065
Energy: 2.5356259759096673
Energy: 2.4115317527603555
Energy: 2.435864554246384
Energy: 2.4115273920567315
Energy: 2.435864554246384
Energy: 2.4115317527603555
Energy: 2.435864554246384
Energy: 2.150316713407134
Energy: 2.4227828021996514
Energy: 2.186608619327305
Energy: 2.4227828021996514
Energy: 2.150316713407134
Energy: 2.4227828021996514
Energy: 2.1364319353598535
Energy: 2.184789584754393
Energy: 2.150295729137886
Energy: 2.184789584754393
Energy: 2.1364319353598535
Energy: 2.184789584754393
Energy: 2.1364259898682287
Energy: 2.416895494823283
Energy: 2.1364299660177997
Energy: 2.416895494823283
Energy: 2.1364259898682287
Energy: 2.416895494823283
Energy: 2.136432512465884
Energy: 2.4374439061923128
Energy: 2.5580605195784734
Energy: 2.4374439061923128
Energy: 2.136432512465884
Energy: 2.4374439061923128

minimum gb energy = 2.1364259898682287 eV
minimum distance =  2.33637314787784 Angstroms
sigma value = 57


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

Energy: 2.2683739228534607
Energy: 2.268366251134723
Energy: 2.876794407736463
Energy: 2.268366251134723
Energy: 2.2683739228534607
Energy: 2.268366251134723
Energy: 2.206829048535285
Energy: 2.480157236395091
Energy: 2.1892917794608686
Energy: 2.1893163047292594
Energy: 2.206829048535285
Energy: 2.3162627223273775
Energy: 2.230722188983716
Energy: 2.341548359282282
Energy: 2.189301866857917
Energy: 2.341548359282282
Energy: 2.230722188983716
Energy: 2.341548359282282
Energy: 2.1893080269932526
Energy: 2.40230256629113
Energy: 2.189308733170364
Energy: 2.5378825447129096
Energy: 2.1893080269932526
Energy: 2.3883562352756282
Energy: 2.189301589935428
Energy: 2.341556196335971
Energy: 2.2307279289794244
Energy: 2.341556196335971
Energy: 2.189301589935428
Energy: 2.341556196335971
Energy: 2.189291985223484
Energy: 2.1893133062339447
Energy: 2.206828010926747
Energy: 2.1893133062339447
Energy: 2.189291985223484
Energy: 2.1893133062339447
Energy: 2.876794407736463
Energy: 2.268366251134723
Energy: 2.2683739228521285
Energy: 2.268366251134723
Energy: 2.876794407736463
Energy: 2.268366251134723
Energy: 2.1892917794608686
Energy: 2.3162627223273775
Energy: 2.206829048535285
Energy: 2.3162627223273775
Energy: 2.1892917794608686
Energy: 2.480157236395091
Energy: 2.189301866857917
Energy: 2.341548359282282
Energy: 2.230722188983716
Energy: 2.341548359282282
Energy: 2.189301866857917
Energy: 2.341548359282282
Energy: 2.189308733170364
Energy: 2.4023025662831383
Energy: 2.1893080269932526
Energy: 2.3883562352742964
Energy: 2.189308733170364
Energy: 2.40230256628447
Energy: 2.2307279289794244
Energy: 2.341556196335971
Energy: 2.189301589935428
Energy: 2.341556196335971
Energy: 2.2307279289794244
Energy: 2.341556196335971
Energy: 2.206828010926747
Energy: 2.1893133062339447
Energy: 2.189291985223484
Energy: 2.1893133062339447
Energy: 2.206828010926747
Energy: 2.1893133062339447
Energy: 2.2683739228521285
Energy: 2.268366251134723
Energy: 2.7457689309048474
Energy: 2.268366251134723
Energy: 2.2683739228521285
Energy: 2.268366251134723
Energy: 2.206829048535285
Energy: 2.3162627223273775
Energy: 2.1892917794608686
Energy: 2.3162627223273775
Energy: 2.206829048535285
Energy: 2.3162627223273775
Energy: 2.230722188983716
Energy: 2.341548359282282
Energy: 2.189301866857917
Energy: 2.341548359282282
Energy: 2.230722188983716
Energy: 2.341548359282282
Energy: 2.1893080269932526
Energy: 2.3883562352742964
Energy: 2.189308733170364
Energy: 2.3883562352742964
Energy: 2.1893080269932526
Energy: 2.3883562352742964
Energy: 2.189301589935428
Energy: 2.341556196335971
Energy: 2.2307279289794244
Energy: 2.341556196335971
Energy: 2.189301589935428
Energy: 2.341556196335971

minimum gb energy = 2.1892917794608686 eV
minimum distance =  2.43181469707832 Angstroms
sigma value = 9


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

Energy: 2.5509745435600477
Energy: 2.4957173101771555
Energy: 2.4505907219220315
Energy: 2.495717310178243
Energy: 2.5509745435600477
Energy: 2.4957173101771555
Energy: 2.445035462947832
Energy: 2.5026181849803844
Energy: 2.278765424720042
Energy: 2.5026181849803844
Energy: 2.445035462947832
Energy: 2.5026181849803844
Energy: 2.266276405878851
Energy: 2.271632513155443
Energy: 2.278769523760882
Energy: 2.271632513119552
Energy: 2.266276405878851
Energy: 2.271632513144567
Energy: 2.2662719857050915
Energy: 2.2662820450552603
Energy: 2.3518573572274715
Energy: 2.2662820450552603
Energy: 2.2662719857050915
Energy: 2.2662820450552603
Energy: 2.4201696628357703
Energy: 2.346012397604496
Energy: 2.2093642528715773
Energy: 2.3460123976055836
Energy: 2.4201696628357703
Energy: 2.3460123976023213
Energy: 2.2662687008840403
Energy: 2.2662898066614634
Energy: 2.347605117868511
Energy: 2.2662898066614634
Energy: 2.2662687008840403
Energy: 2.2662898066614634
Energy: 2.266272604725221
Energy: 2.4829299571183587
Energy: 2.27877096419089
Energy: 2.4829299571183587
Energy: 2.266272604725221
Energy: 2.4829299571183587
Energy: 2.369095900241541
Energy: 2.5794354164788236
Energy: 2.27876277990901
Energy: 2.5794354164788236
Energy: 2.369095900241541
Energy: 2.5794354164788236
Energy: 2.3690986655589317
Energy: 2.428463315300785
Energy: 2.423946381954481
Energy: 2.428463315300785
Energy: 2.3690986655589317
Energy: 2.428463315300785
Energy: 2.305314445692026
Energy: 2.486177533067494
Energy: 2.2787692200130683
Energy: 2.486177533067494
Energy: 2.305314445692026
Energy: 2.486177533067494
Energy: 2.2662816053836887
Energy: 2.5317115069373695
Energy: 2.416408669651426
Energy: 2.5317115069373695
Energy: 2.2662816053836887
Energy: 2.5317115069373695
Energy: 2.2662687676837754
Energy: 2.2662704129594218
Energy: 2.3518331033235147
Energy: 2.2662704129594218
Energy: 2.2662687676837754
Energy: 2.2662704129594218
Energy: 2.266272321696684
Energy: 2.4000077826074926
Energy: 2.351828281583604
Energy: 2.4000077826074926
Energy: 2.266272321696684
Energy: 2.4000077826074926
Energy: 2.2662700708604895
Energy: 2.26627463112928
Energy: 2.3533192197503547
Energy: 2.26627463112928
Energy: 2.2662700708604895
Energy: 2.26627463112928
Energy: 2.4135609895243437
Energy: 2.4818747292186094
Energy: 2.2787654806823876
Energy: 2.4818747292186094
Energy: 2.4135609895243437
Energy: 2.4818747292186094
Energy: 2.449222741323694
Energy: 2.49404606754367
Energy: 2.4398559281717453
Energy: 2.49404606754367
Energy: 2.449222741323694
Energy: 2.49404606754367
Energy: 2.4492369351067236
Energy: 2.5070527599351453
Energy: 2.3406761591321485
Energy: 2.5070527599351453
Energy: 2.4492369351067236
Energy: 2.5070527599351453
Energy: 2.4763327387350405
Energy: 2.3159868558008485
Energy: 2.278799074906494
Energy: 2.3159868558008485
Energy: 2.4763327387350405
Energy: 2.3159868558008485
Energy: 2.2662676472517322
Energy: 2.2662738513775
Energy: 2.3729292987992396
Energy: 2.2662738513775
Energy: 2.2662676472517322
Energy: 2.2662738513775
Energy: 2.2662713468930584
Energy: 2.34603565316344
Energy: 2.2093861511221804
Energy: 2.34603565316344
Energy: 2.2662713468930584
Energy: 2.34603565316344
Energy: 2.26626454901387
Energy: 2.478023025271316
Energy: 2.351845220788798
Energy: 2.478023025271316
Energy: 2.26626454901387
Energy: 2.478023025271316

minimum gb energy = 2.2093642528715773 eV
minimum distance =  2.44562924484017 Angstroms
sigma value = 27


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

Energy: 2.280981639661359
Energy: 2.1772059435915745
Energy: 2.3129552631694206
Energy: 2.1772059435915745
Energy: 2.280981639661359
Energy: 2.1772059435915745
Energy: 2.2218631923927736
Energy: 2.46008065266426
Energy: 2.174527128180878
Energy: 2.46008065266426
Energy: 2.2218631923927736
Energy: 2.46008065266426
Energy: 2.1947149229914484
Energy: 2.4141863146309444
Energy: 2.1745299300320937
Energy: 2.4141863146309444
Energy: 2.1947149229914484
Energy: 2.4141863146309444
Energy: 2.188320441390324
Energy: 2.194722372494026
Energy: 2.293030950756709
Energy: 2.194722372494026
Energy: 2.188320441390324
Energy: 2.194722372494026
Energy: 2.2218620756906713
Energy: 2.290408449074565
Energy: 2.1745293897117155
Energy: 2.290408449074565
Energy: 2.2218620756906713
Energy: 2.290408449074565
Energy: 2.208075422139059
Energy: 2.208091236612586
Energy: 2.194714396241418
Energy: 2.208091236612586
Energy: 2.208075422139059
Energy: 2.208091236612586
Energy: 2.188336919754891
Energy: 2.194726542030947
Energy: 2.1745302255798986
Energy: 2.194726542030947
Energy: 2.188336919754891
Energy: 2.194726542030947
Energy: 2.1745512384918113
Energy: 2.336125663088613
Energy: 2.1745273926294013
Energy: 2.336125663088613
Energy: 2.1745512384918113
Energy: 2.336125663088613
Energy: 2.2241087817038316
Energy: 2.2241132607199448
Energy: 2.312956241444877
Energy: 2.2241132607199448
Energy: 2.2241087817038316
Energy: 2.2241132607199448
Energy: 2.1745357870328315
Energy: 2.391323027923302
Energy: 2.2312031033832884
Energy: 2.391323027923302
Energy: 2.1745357870328315
Energy: 2.391323027923302
Energy: 2.174534070656131
Energy: 2.391324845095553
Energy: 2.231202876289122
Energy: 2.391324845095553
Energy: 2.174534070656131
Energy: 2.391324845095553
Energy: 2.224108954779716
Energy: 2.22411764018768
Energy: 2.3129577549531333
Energy: 2.22411764018768
Energy: 2.224108954779716
Energy: 2.22411764018768
Energy: 2.1745512383607557
Energy: 2.3361251287694516
Energy: 2.174527010034122
Energy: 2.3361251287694516
Energy: 2.1745512383607557
Energy: 2.3361251287694516
Energy: 2.1883425837819788
Energy: 2.19472670992941
Energy: 2.174530800238899
Energy: 2.19472670992941
Energy: 2.1883425837819788
Energy: 2.19472670992941
Energy: 2.2080726556216117
Energy: 2.208091389349033
Energy: 2.194714329789991
Energy: 2.208091389349033
Energy: 2.208072655620695
Energy: 2.208091389349033
Energy: 2.221862508442701
Energy: 2.290408449074565
Energy: 2.1745294587655835
Energy: 2.290408449074565
Energy: 2.221862508442701
Energy: 2.290408449074565
Energy: 2.188326172618418
Energy: 2.194725848835733
Energy: 2.2839536845319754
Energy: 2.194725848835733
Energy: 2.188326172618418
Energy: 2.194725848835733
Energy: 2.1947152236717944
Energy: 2.414181348948989
Energy: 2.174529958069843
Energy: 2.414181348948989
Energy: 2.1947152236717944
Energy: 2.414181348948989
Energy: 2.2218641759144084
Energy: 2.4600807450512985
Energy: 2.1745268733412426
Energy: 2.4600807450512985
Energy: 2.2218641759144084
Energy: 2.4600807450512985
Energy: 2.280981639661359
Energy: 2.1772059435915745
Energy: 2.3516831408456365
Energy: 2.1772059435915745
Energy: 2.280981639661359
Energy: 2.1772059435915745
Energy: 2.2218631923927736
Energy: 2.46008065266426
Energy: 2.174527128180878
Energy: 2.46008065266426
Energy: 2.2218631923927736
Energy: 2.46008065266426
Energy: 2.1947149229914484
Energy: 2.4141863146309444
Energy: 2.1745299300320937
Energy: 2.4141863146309444
Energy: 2.1947149229914484
Energy: 2.4141863146309444
Energy: 2.188320441390324
Energy: 2.194722372494026
Energy: 2.293030950756709
Energy: 2.194722372494026
Energy: 2.188320441390324
Energy: 2.194722372494026
Energy: 2.2218620756906713
Energy: 2.290408449074565
Energy: 2.1745293897117155
Energy: 2.290408449074565
Energy: 2.2218620756906713
Energy: 2.290408449074565
Energy: 2.208075422139059
Energy: 2.208091236612586
Energy: 2.194714396241418
Energy: 2.208091236612586
Energy: 2.208075422139059
Energy: 2.208091236612586

minimum gb energy = 2.1745268733412426 eV
minimum distance =  2.43615892190463 Angstroms
sigma value = 19


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

Energy: 2.2286810243214816
Energy: 2.0825662132071674
Energy: 2.3361816857026083
Energy: 2.0825662132071674
Energy: 2.2286810243214816
Energy: 2.0825662132071674
Energy: 2.113689282381924
Energy: 2.3151866999565516
Energy: 2.0760698862170006
Energy: 2.3151866999565516
Energy: 2.113689282381924
Energy: 2.3151866999565516
Energy: 2.0963934270713858
Energy: 2.2804153625850763
Energy: 2.076064741621379
Energy: 2.2804153625850763
Energy: 2.0963934270713858
Energy: 2.2804153625850763
Energy: 2.0471810737399063
Energy: 2.0752631390019247
Energy: 2.1411756777175492
Energy: 2.0752631390019247
Energy: 2.0471810737399063
Energy: 2.0752631390019247
Energy: 2.047179415909035
Energy: 2.304273325267573
Energy: 2.0735019966087056
Energy: 2.304273325267573
Energy: 2.047179415909035
Energy: 2.304273325267573
Energy: 2.096409014062728
Energy: 2.073512187948911
Energy: 2.0735052265057146
Energy: 2.073512187948911
Energy: 2.096409014062728
Energy: 2.073512187948911
Energy: 2.047173535603966
Energy: 2.1693717779007304
Energy: 2.073507021080586
Energy: 2.1693717779007304
Energy: 2.047173535603966
Energy: 2.1693717779007304
Energy: 2.113683944797343
Energy: 2.073512403848899
Energy: 2.0735001815108234
Energy: 2.073512403848899
Energy: 2.113683944797343
Energy: 2.073512403848899
Energy: 2.0471712717986628
Energy: 2.3042581258740977
Energy: 2.189009484473223
Energy: 2.3042581258740977
Energy: 2.0471712717986628
Energy: 2.3042581258740977
Energy: 2.047166730500005
Energy: 2.300398979751626
Energy: 2.0760631117955457
Energy: 2.300398979751626
Energy: 2.047166730500005
Energy: 2.300398979751626
Energy: 2.113684766950999
Energy: 2.048949135649068
Energy: 2.080812755345413
Energy: 2.048949135649068
Energy: 2.113684766950999
Energy: 2.048949135649068
Energy: 2.1290866565518116
Energy: 2.0825616084086023
Energy: 2.077785882570847
Energy: 2.0825616084086023
Energy: 2.1290866565518116
Energy: 2.0825616084086023
Energy: 2.1291242161383748
Energy: 2.3590402462026296
Energy: 2.0760624655296347
Energy: 2.3590402462026296
Energy: 2.1291242161383748
Energy: 2.3590402462026296
Energy: 2.0981223590577187
Energy: 2.0489467241722377
Energy: 2.0927921847386615
Energy: 2.0489467241722377
Energy: 2.0981223590577187
Energy: 2.0489467241722377
Energy: 2.0471658181038452
Energy: 2.075262399361992
Energy: 2.077780329954775
Energy: 2.075262399361992
Energy: 2.0471658181038452
Energy: 2.075262399361992
Energy: 2.0471720697068725
Energy: 2.304254035167729
Energy: 2.076059252038539
Energy: 2.304254035167729
Energy: 2.0471720697068725
Energy: 2.304254035167729
Energy: 2.0964118880853495
Energy: 2.0735107618979507
Energy: 2.082881496284158
Energy: 2.0735107618979507
Energy: 2.0964118880853495
Energy: 2.0735107618979507
Energy: 2.047168560790423
Energy: 2.1694039290901252
Energy: 2.0777831193715097
Energy: 2.1694039290901252
Energy: 2.047168560790423
Energy: 2.1694039290901252
Energy: 2.096410644983311
Energy: 2.073512307247606
Energy: 2.082881025559565
Energy: 2.073512307247606
Energy: 2.096410644983311
Energy: 2.073512307247606
Energy: 2.047170812007928
Energy: 2.3042541588794125
Energy: 2.076062256432954
Energy: 2.3042541588794125
Energy: 2.047170812007928
Energy: 2.3042541588794125
Energy: 2.04716563119523
Energy: 2.0752634467216335
Energy: 2.07778033069119
Energy: 2.0752634467216335
Energy: 2.04716563119523
Energy: 2.0752634467216335
Energy: 2.098121290134128
Energy: 2.0489473539040373
Energy: 2.092791804124454
Energy: 2.0489473539040373
Energy: 2.0981212901349195
Energy: 2.0489473539040373
Energy: 2.1291351040301096
Energy: 2.3590447209442114
Energy: 2.076062280234637
Energy: 2.3590447209442114
Energy: 2.1291351040301096
Energy: 2.3590447209442114
Energy: 2.1290854076811097
Energy: 2.082561685292074
Energy: 2.077783834972429
Energy: 2.082561685292074
Energy: 2.1290854076811097
Energy: 2.082561685292074
Energy: 2.1136841949155514
Energy: 2.0489451256632782
Energy: 2.076061841602901
Energy: 2.0489451256632782
Energy: 2.1136841949155514
Energy: 2.0489451256632782
Energy: 2.047166386885944
Energy: 2.3003991597675486
Energy: 2.0760654482865055
Energy: 2.3003991597675486
Energy: 2.047166386885944
Energy: 2.3003991597675486
Energy: 2.047177009683583
Energy: 2.304255421124974
Energy: 2.1879323322098725
Energy: 2.304255421124974
Energy: 2.047177009683583
Energy: 2.304255421124974
Energy: 2.113683898686554
Energy: 2.073514833135662
Energy: 2.0734998012256702
Energy: 2.073514833135662
Energy: 2.113683898686554
Energy: 2.073514833135662
Energy: 2.047173075490472
Energy: 2.1693717779007304
Energy: 2.073506626207987
Energy: 2.1693717779007304
Energy: 2.047173075490472
Energy: 2.1693717779007304

minimum gb energy = 2.04716563119523 eV
minimum distance =  2.41171671510044 Angstroms
sigma value = 101


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

Energy: 2.1522325774934665
Energy: 1.9669446879959467
Energy: 2.277999675040494
Energy: 1.9669446879959467
Energy: 2.1522325774934665
Energy: 1.9669446879959467
Energy: 1.9979891128931444
Energy: 2.212664611815835
Energy: 1.9665411136279733
Energy: 2.212664611815835
Energy: 1.9979891128931444
Energy: 2.212664611815835
Energy: 1.9498348659755327
Energy: 1.9338809694787382
Energy: 1.9665250676261705
Energy: 1.9338809694787382
Energy: 1.9498348659755327
Energy: 1.9338809694787382
Energy: 1.933647513974844
Energy: 1.9525916626109068
Energy: 2.033470816863113
Energy: 1.9499805327171154
Energy: 1.933647513974844
Energy: 2.1765586723566495
Energy: 1.9336568413101114
Energy: 2.182794833117144
Energy: 1.9498320660856985
Energy: 2.182794833117144
Energy: 1.9336568413101114
Energy: 2.182794833117144
Energy: 1.9498337677869837
Energy: 2.3485488577676317
Energy: 1.9336484393154094
Energy: 2.3485488577669353
Energy: 1.9498337677869837
Energy: 2.3485488577676317
Energy: 1.9517327873785062
Energy: 2.397866277364837
Energy: 1.933650166365254
Energy: 2.3978662773655324
Energy: 1.9517327873785062
Energy: 2.3978662773655324
Energy: 1.9498264362765265
Energy: 2.3978684786244857
Energy: 1.9498265859620563
Energy: 2.344038355346033
Energy: 1.9498264362765265
Energy: 2.39786847862379
Energy: 1.9336476959072237
Energy: 2.1971016123183307
Energy: 1.9499898198337302
Energy: 2.1971016123183307
Energy: 1.9336476959072237
Energy: 2.1971016123183307
Energy: 1.9336429672109041
Energy: 2.197101870664187
Energy: 1.9336543108112536
Energy: 2.197101870664187
Energy: 1.9336429672109041
Energy: 2.197101870664187
Energy: 2.0142439270424712
Energy: 2.3422096965008006
Energy: 2.0004025208030796
Energy: 2.3422096965008006
Energy: 2.0142439270424712
Energy: 2.3422096965008006
Energy: 1.9665484742312718
Energy: 2.1656648671281067
Energy: 1.9336530064410782
Energy: 2.1656648671281067
Energy: 1.9665484742312718
Energy: 2.1656648671281067
Energy: 1.9665095323794342
Energy: 1.9338838381168921
Energy: 2.0145073072491453
Energy: 1.9338838381168921
Energy: 1.9665095323794342
Energy: 1.9338838381168921
Energy: 2.033470849405447
Energy: 1.9996229152472336
Energy: 2.027180055929355
Energy: 1.968850535422172
Energy: 2.033470849405447
Energy: 1.9996229152472336
Energy: 1.9891431938557136
Energy: 2.262122027890917
Energy: 1.9665554425598226
Energy: 2.262122027890917
Energy: 1.9891431938557136
Energy: 2.262122027890917
Energy: 1.9665235567385386
Energy: 1.9338857608323325
Energy: 1.9794538421522903
Energy: 1.9338857608323325
Energy: 1.9665235567385386
Energy: 1.9338857608323325
Energy: 1.9336497111495115
Energy: 1.9499661778894684
Energy: 1.933641528101052
Energy: 1.9499661778894684
Energy: 1.9336497111495115
Energy: 1.9499661778894684
Energy: 1.9498281148452379
Energy: 2.2152036029659774
Energy: 1.9336492274645896
Energy: 2.215203602965282
Energy: 1.9498281148452379
Energy: 2.215203602965282
Energy: 1.9566045581386824
Energy: 2.348553947005728
Energy: 1.9498175017159414
Energy: 2.348553947005728
Energy: 1.9566045581386824
Energy: 2.348553947005728
Energy: 1.9642637131586613
Energy: 2.0142439019539813
Energy: 1.9336428471640306
Energy: 2.0142439019539813
Energy: 1.9642637131579652
Energy: 2.0142439019539813
Energy: 1.9724212024217904
Energy: 1.9498231876144259
Energy: 1.949822954487805
Energy: 1.9498231876144259
Energy: 1.9724212024217904
Energy: 1.9498231876144259
Energy: 1.933645490675887
Energy: 2.197114862814274
Energy: 1.9336453826135465
Energy: 2.197114862814274
Energy: 1.933645490675887
Energy: 2.197114862814274
Energy: 1.938633327769425
Energy: 2.348546373881576
Energy: 1.933651525774122
Energy: 2.348546373881576
Energy: 1.938633327769425
Energy: 2.348546373881576
Energy: 1.9336465707924304
Energy: 1.9499762108756855
Energy: 2.0142615789604847
Energy: 1.9499762108756855
Energy: 1.9336465707924304
Energy: 1.9499762108756855
Energy: 1.9336595500401657
Energy: 2.2042010307841666
Energy: 1.9336398896209746
Energy: 2.2042010307841666
Energy: 1.9336595500401657
Energy: 2.2042010307841666
Energy: 2.014505612740212
Energy: 1.9338849629118233
Energy: 1.9665192631034354
Energy: 1.9338849629118233
Energy: 2.014505612740212
Energy: 1.9338849629118233
Energy: 2.0271709306760926
Energy: 1.9736723914280434
Energy: 1.9642837634537573
Energy: 1.9736723914280434
Energy: 2.0271709306760926
Energy: 1.9736723914280434
Energy: 1.966535575752499
Energy: 1.9642714941151322
Energy: 1.9642635101004364
Energy: 1.9642714941151322
Energy: 1.966535575752499
Energy: 1.9642714941151322
Energy: 2.1119805336130275
Energy: 1.9338850751147947
Energy: 2.0307108165827974
Energy: 1.9338850751147947
Energy: 2.1119805336130275
Energy: 1.9338850751147947
Energy: 1.9336487936938893
Energy: 2.1804914846102443
Energy: 1.9336535050593637
Energy: 2.1804914846102443
Energy: 1.9336487936938893
Energy: 2.1804914846102443
Energy: 1.9336439258328768
Energy: 1.9498315364658951
Energy: 1.9498270308349483
Energy: 1.9498315364658951
Energy: 1.9336439258328768
Energy: 1.9498315364658951
Energy: 2.014504368303105
Energy: 2.3485450173450833
Energy: 1.9336480921084436
Energy: 2.3485450173450833
Energy: 2.014504368303105
Energy: 2.3485450173450833
Energy: 1.9336474595550073
Energy: 2.0142460876106605
Energy: 1.9386348890614433
Energy: 2.0142460876106605
Energy: 1.9336474595550073
Energy: 2.0142460876106605

minimum gb energy = 1.9336398896209746 eV
minimum distance =  2.38985532272647 Angstroms
sigma value = 33


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

Energy: 0.019561418545147275
Energy: 0.019561453732669806
Energy: 1.6066665320606726
Energy: 0.019561453732669806
Energy: 0.019561418545147275
Energy: 0.019561453732669806
Energy: 0.0195616226515493
Energy: 1.4910974747062333
Energy: 0.0195616226515493
Energy: 1.4910974747062333
Energy: 0.0195616226515493
Energy: 1.4910974747062333
Energy: 2.0097847944640916
Energy: 0.019561453732669806
Energy: 0.019561418545147275
Energy: 0.019561453732669806
Energy: 2.0097847944640916
Energy: 0.019561453732669806
Energy: 0.0195616226515493
Energy: 1.4910974747062333
Energy: 0.0195616226515493
Energy: 1.4910974747062333
Energy: 0.0195616226515493
Energy: 1.4910974747062333

minimum gb energy = 0.019561418545147275 eV
minimum distance =  2.72820839946667 Angstroms
sigma value = 1