Model name: model_name=EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520024351775646
cohesive_energy=4.422204084913661
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.0272614018 eV

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

Energy: 0.01804665293778362
Energy: 1.2949736982005595
Energy: 0.01804665293778362
Energy: 1.2949736982008904
Energy: 0.01804665293745286
Energy: 1.2949736982005595
Energy: 1.2949736982005595
Energy: 0.018121635217059884
Energy: 1.2949736982008904
Energy: 0.01812163521805216
Energy: 1.2949736982005595
Energy: 0.01812163521739064
Energy: 0.01804665293778362
Energy: 1.2949736982008904
Energy: 0.01804665293778362
Energy: 1.2949736982005595
Energy: 0.01804665293745286
Energy: 1.2949736982008904
Energy: 1.2949736982005595
Energy: 0.018121635216104354
Energy: 1.2949736982008904
Energy: 0.018121635217059884
Energy: 1.2949736982005595
Energy: 0.018121635216435113
Energy: 0.01804665293745286
Energy: 1.2949736982005595
Energy: 0.01804665293745286
Energy: 1.2949736982005595
Energy: 0.01804665293745286
Energy: 1.2949736982005595
Energy: 1.2949736982005595
Energy: 0.0181216352177214
Energy: 1.2949736982005595
Energy: 0.018121635216435113
Energy: 1.2949736982005595
Energy: 0.01812163521739064

minimum gb energy = 0.01804665293745286 eV
minimum distance =  2.48744469916176 Angstroms
sigma value = 1


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

Energy: 1.4197448041568208
Energy: 1.3543509833354836
Energy: 1.4197448041568208
Energy: 1.3543509833330953
Energy: 1.4197448041568208
Energy: 1.3543509833378724
Energy: 1.5143183279560937
Energy: 1.261700803235252
Energy: 1.5142565070145246
Energy: 1.261700803234456
Energy: 1.2753813179811264
Energy: 1.261700803234456
Energy: 1.332115097811403
Energy: 1.4164224277689699
Energy: 1.332115097807422
Energy: 1.4164224277713584
Energy: 1.332115097806626
Energy: 1.4164224277665813
Energy: 1.5431647968379774
Energy: 1.3219383685529786
Energy: 1.5431647968371813
Energy: 1.321938368553775
Energy: 1.543164796836385
Energy: 1.321938368553775
Energy: 1.3542790267439613
Energy: 1.4745532125765943
Energy: 1.3542790267463498
Energy: 1.4745532125750018
Energy: 1.3542790267439613
Energy: 1.4745532125710208
Energy: 1.456273134312368
Energy: 1.2762685361530215
Energy: 1.4562731343099793
Energy: 1.2762685361538177
Energy: 1.456273134312368
Energy: 1.2762685361506332
Energy: 1.3398901710021764
Energy: 1.3858906982104195
Energy: 1.3398901710077495
Energy: 1.3858906982056423
Energy: 1.339890171006157
Energy: 1.3858906982024575
Energy: 1.3091130772204032
Energy: 1.4870127396815769
Energy: 1.3091130772235877
Energy: 1.4870127396767998
Energy: 1.309113077221199
Energy: 1.4870127396767998
Energy: 1.4687801759795962
Energy: 1.3935499206859114
Energy: 1.4687801759788002
Energy: 1.3935499206851152
Energy: 1.4687801759795962
Energy: 1.3935499206867077
Energy: 1.2504161757471248
Energy: 1.464910898305113
Energy: 1.2504161757471248
Energy: 1.4649108983027241
Energy: 1.2504161757471248
Energy: 1.4649108982995398
Energy: 1.634670372911574
Energy: 1.2758964939965918
Energy: 1.6346703729107777
Energy: 1.2758964939965918
Energy: 1.63467037291237
Energy: 1.2758964939957955
Energy: 1.240397554941791
Energy: 1.5293098555948585
Energy: 1.240397554940995
Energy: 1.5293098555900815
Energy: 1.240397554941791
Energy: 1.5293098555486802
Energy: 1.5651519069017352
Energy: 1.2163120566286263
Energy: 1.5651519069033275
Energy: 1.21631205662783
Energy: 1.5651519069033275
Energy: 1.2163120566294223
Energy: 1.305702454030796
Energy: 1.3402909594768317
Energy: 1.305702454030796
Energy: 1.3402909594760357
Energy: 1.3057024540299997
Energy: 1.3402909594768317
Energy: 1.5620637792749261
Energy: 1.2580728532466567
Energy: 1.562063779283684
Energy: 1.2580728532466567
Energy: 1.5620637792804992
Energy: 1.2580728532450645
Energy: 1.5735983954019723
Energy: 1.417078828318293
Energy: 1.5735983954003798
Energy: 1.4170788283151081
Energy: 1.573598395401176
Energy: 1.4170788283087385
Energy: 1.3641409854213513
Energy: 1.3760937706833818
Energy: 1.36414098542374
Energy: 1.3760937706849738
Energy: 1.3641409854269246
Energy: 1.3760937706833818
Energy: 1.3639234024113676
Energy: 1.3375081703197758
Energy: 1.3639234024129598
Energy: 1.3375081703221645
Energy: 1.3639234024073867
Energy: 1.3375081703221645
Energy: 1.2467461491281255
Energy: 1.32116039213117
Energy: 1.2467461491289216
Energy: 1.3211603921271893
Energy: 1.2467461491297178
Energy: 1.3211603921263932
Energy: 1.438799396411211
Energy: 1.2761132485288464
Energy: 1.4387993964080266
Energy: 1.2761132485280504
Energy: 1.4387993964088226
Energy: 1.2761132485280504
Energy: 1.2838961123296444
Energy: 1.728385464664404
Energy: 1.2838961123296444
Energy: 1.728385464664404
Energy: 1.283896112331237
Energy: 1.7283854646628112
Energy: 1.419737157319763
Energy: 1.3884575824242944
Energy: 1.4197371573165782
Energy: 1.3884575824242944
Energy: 1.4197371573181705
Energy: 1.3884575824250902
Energy: 1.2319690403700154
Energy: 1.5136578842504356
Energy: 1.2319690403700154
Energy: 1.513657884252028
Energy: 1.2319690403716077
Energy: 1.513657884256805

minimum gb energy = 1.21631205662783 eV
minimum distance =  2.19370723393985 Angstroms
sigma value = 33


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

Energy: 1.4023387880225613
Energy: 1.470454369806154
Energy: 1.4023387880248255
Energy: 1.4704543698084185
Energy: 1.402338788023467
Energy: 1.4704543698088712
Energy: 1.4633973841362566
Energy: 1.3297022077464846
Energy: 1.4633973841416907
Energy: 1.3297022077464846
Energy: 1.4633973841371621
Energy: 1.3297022077446732
Energy: 1.2300274072172213
Energy: 1.327656214005623
Energy: 1.2300274072108812
Energy: 1.327656214006076
Energy: 1.2300274072108812
Energy: 1.3276562140092458
Energy: 1.434375357772523
Energy: 1.5114050258576048
Energy: 1.434375357772523
Energy: 1.5114050258576048
Energy: 1.4343753577743343
Energy: 1.5114050258576048
Energy: 1.3298537441812976
Energy: 1.418864066407178
Energy: 1.3298537441781275
Energy: 1.4188640664098953
Energy: 1.329853744176769
Energy: 1.4188640664094423
Energy: 1.3266941130070742
Energy: 1.2300590554319248
Energy: 1.326694113011603
Energy: 1.2300590554319248
Energy: 1.3266941130138261
Energy: 1.2300590554296604
Energy: 1.4707483661620604
Energy: 1.402165720934075
Energy: 1.4707483661647776
Energy: 1.4021657209363394
Energy: 1.4707483661638718
Energy: 1.402165720933169
Energy: 1.214639486395301
Energy: 1.4028187938992673
Energy: 1.2146394863898666
Energy: 1.4028187938956445
Energy: 1.2146394863898666
Energy: 1.4028187939028902
Energy: 1.3135917741776328
Energy: 1.234024256115478
Energy: 1.3135917741794443
Energy: 1.234024256115478
Energy: 1.3135917741817085
Energy: 1.234024256115931
Energy: 1.186773239944917
Energy: 1.454571517023706
Energy: 1.186773239944917
Energy: 1.4545715170178186
Energy: 1.186773239944917
Energy: 1.4545715170214415
Energy: 1.4552629483351747
Energy: 1.1906893903073774
Energy: 1.4552629483297403
Energy: 1.1906893903078304
Energy: 1.4552629483265704
Energy: 1.1906893903078304
Energy: 1.230317608215677
Energy: 1.3121847581396253
Energy: 1.23031760821613
Energy: 1.3121847581409838
Energy: 1.2303176082152245
Energy: 1.3121847581396253
Energy: 1.4032656633242722
Energy: 1.2142204224156166
Energy: 1.4032656633260836
Energy: 1.2142204224101825
Energy: 1.4032656633337823
Energy: 1.2142204224151638
Energy: 1.4022404343448676
Energy: 1.4755557690516556
Energy: 1.402240434336263
Energy: 1.475555769056637
Energy: 1.4022404343457733
Energy: 1.4755557690575427
Energy: 1.3526160448382871
Energy: 1.3268570666641553
Energy: 1.352616044842363
Energy: 1.32685706666959
Energy: 1.3526160448382871
Energy: 1.3268570666659667
Energy: 1.2296406738270214
Energy: 1.3280536783300303
Energy: 1.2296406738243042
Energy: 1.3280536783241432
Energy: 1.2296406738211343
Energy: 1.328053678327766
Energy: 1.5163007986026569
Energy: 1.4368120539631366
Energy: 1.5163007986026569
Energy: 1.436812053964948
Energy: 1.5163007986031098
Energy: 1.4368120539676652
Energy: 1.3280948708737885
Energy: 1.2299385502471796
Energy: 1.3280948708801283
Energy: 1.2299385502440097
Energy: 1.3280948708756
Energy: 1.2299385502412925
Energy: 1.3296924920477833
Energy: 1.3529537809716454
Energy: 1.3296924920468776
Energy: 1.3529537809689283
Energy: 1.3296924920464248
Energy: 1.3529537809743626
Energy: 1.4726261182940183
Energy: 1.4059798966479768
Energy: 1.472626118287678
Energy: 1.4059798966479768
Energy: 1.4726261182858666
Energy: 1.4059798966484298
Energy: 1.2137254589143496
Energy: 1.4036143661327605
Energy: 1.2137254589138968
Energy: 1.4036143661381948
Energy: 1.2137254589152553
Energy: 1.403614366140006
Energy: 1.3279172028114994
Energy: 1.2340017383430568
Energy: 1.327917202808823
Energy: 1.234001738342604
Energy: 1.327917202803389
Energy: 1.234001738342604
Energy: 1.1866721638444278
Energy: 1.4550103114742032
Energy: 1.1866721638444278
Energy: 1.455010311471486
Energy: 1.186672163843522
Energy: 1.4550103114723918
Energy: 1.4545418422793468
Energy: 1.3282372371058526
Energy: 1.454541842271195
Energy: 1.3282372371040412
Energy: 1.454541842272101
Energy: 1.3282372371035882
Energy: 1.230052640984199
Energy: 1.3269858580657905
Energy: 1.2300526409855574
Energy: 1.3269858580626206
Energy: 1.2300526409855574
Energy: 1.3269858580603562
Energy: 1.4026812047137274
Energy: 1.4435638420782508
Energy: 1.4026812047128214
Energy: 1.443563842080968
Energy: 1.40268120471101
Energy: 1.443563842081421
Energy: 1.4027283496907754
Energy: 1.4435419189273928
Energy: 1.4027283496817182
Energy: 1.4435419189282985
Energy: 1.4027283496876053
Energy: 1.4435419189228642
Energy: 1.2301503045981403
Energy: 1.3270232890248803
Energy: 1.2301503045967819
Energy: 1.327023289034843
Energy: 1.2301503045972348
Energy: 1.3270232890298614
Energy: 1.4546413760523564
Energy: 1.3282670737939892
Energy: 1.4546413760568437
Energy: 1.3282670737935365
Energy: 1.454641376062731
Energy: 1.328267073790819
Energy: 1.1866569139264063
Energy: 1.4550432332663341
Energy: 1.1866569139268588
Energy: 1.4550432332713155
Energy: 1.1866569139268588
Energy: 1.455043233273127
Energy: 1.3281505123826025
Energy: 1.2339876648270398
Energy: 1.328150512371281
Energy: 1.2339876648261339
Energy: 1.328150512367205
Energy: 1.2339876648270398
Energy: 1.2134982091422626
Energy: 1.4035494588119841
Energy: 1.2134982091449797
Energy: 1.4035494588070025
Energy: 1.2134982091449797
Energy: 1.4035494588074553
Energy: 1.472667090471585
Energy: 1.405985956238305
Energy: 1.4726670904733965
Energy: 1.405985956238758
Energy: 1.472667090471585
Energy: 1.405985956238305
Energy: 1.329716245724374
Energy: 1.3531229590748302
Energy: 1.3297162457266383
Energy: 1.353122959072566
Energy: 1.3297162457248268
Energy: 1.3531229590743774
Energy: 1.3284332834774464
Energy: 1.230076355821407
Energy: 1.3284332834756347
Energy: 1.2300763558223127
Energy: 1.3284332834801635
Energy: 1.2300763558200483
Energy: 1.5165874226580924
Energy: 1.436788624505433
Energy: 1.516587422656734
Energy: 1.4367886245063388
Energy: 1.5165874226580924
Energy: 1.4367886245076973
Energy: 1.230041142195699
Energy: 1.328048576316776
Energy: 1.2300411421934347
Energy: 1.328048576316776
Energy: 1.230041142196152
Energy: 1.3280485763091185
Energy: 1.352475454452092
Energy: 1.3269009698135534
Energy: 1.352475454449375
Energy: 1.326900969811742
Energy: 1.3524754544511863
Energy: 1.326900969809025
Energy: 1.4022426000593342
Energy: 1.475607214592777
Energy: 1.4022426000588815
Energy: 1.4756072145887011
Energy: 1.4022426000588815
Energy: 1.4756072145941355
Energy: 1.4032516731960292
Energy: 1.2143608894692968
Energy: 1.4032516731933118
Energy: 1.2143608894688438
Energy: 1.4032516731915003
Energy: 1.214360889468391
Energy: 1.2303171900036012
Energy: 1.312256246735631
Energy: 1.2303171900040542
Energy: 1.312256246735631
Energy: 1.2303171900040542
Energy: 1.3122562467360839

minimum gb energy = 1.1866569139264063 eV
minimum distance =  2.33042898626388 Angstroms
sigma value = 51


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

Energy: 1.41254330937042
Energy: 1.4245555169268695
Energy: 1.41254330937042
Energy: 1.4245555169268695
Energy: 1.412543309369371
Energy: 1.4245555169268695
Energy: 1.513839883443405
Energy: 1.3285613643202596
Energy: 1.513839910300372
Energy: 1.328561364321309
Energy: 1.5138398841922567
Energy: 1.3285613643202596
Energy: 1.2955426660594216
Energy: 1.6356215973905004
Energy: 1.2955426660604707
Energy: 1.6356215973957464
Energy: 1.2955426660604707
Energy: 1.6356215973936479
Energy: 1.4017841699954268
Energy: 1.2347711438001725
Energy: 1.4017841699943776
Energy: 1.2347711437980737
Energy: 1.4017841699985747
Energy: 1.2347711437991231
Energy: 1.4186601894532294
Energy: 1.3538146971137945
Energy: 1.4186601894500814
Energy: 1.353814697114844
Energy: 1.4186601894500814
Energy: 1.353814697111696
Energy: 1.418275811069083
Energy: 1.3539480872178622
Energy: 1.4182758110648859
Energy: 1.353948087216813
Energy: 1.4182758110617382
Energy: 1.3539480872157637
Energy: 1.3792344316830054
Energy: 1.3533322987532086
Energy: 1.3792344316830054
Energy: 1.3533322987595044
Energy: 1.379234431685104
Energy: 1.353332298761603
Energy: 1.3012595965437463
Energy: 1.3555703731682183
Energy: 1.3012595965416478
Energy: 1.3555703731661197
Energy: 1.3012595965405984
Energy: 1.3555703731661197
Energy: 1.5902649815226078
Energy: 1.2340415737973034
Energy: 1.5902649815173615
Energy: 1.2340415737973034
Energy: 1.5902649815236094
Energy: 1.2340415737973034
Energy: 1.279960873579053
Energy: 1.6027134887505101
Energy: 1.279960873579053
Energy: 1.6027134887484114
Energy: 1.2799608735811516
Energy: 1.6027134887505101
Energy: 1.466555509011399
Energy: 1.2457296818579005
Energy: 1.4665570099596938
Energy: 1.2457296818579005
Energy: 1.4665553022053506
Energy: 1.2457296818579005
Energy: 1.4098335562865825
Energy: 1.4264322452151226
Energy: 1.4098335562855806
Energy: 1.4264322452151226
Energy: 1.4098335562876316
Energy: 1.4264322452151226
Energy: 1.597604504328766
Energy: 1.3296341886442962
Energy: 1.597604504317224
Energy: 1.3296341886432468
Energy: 1.5976045043738374
Energy: 1.3296341886432468
Energy: 1.3236776468166793
Energy: 1.3388647457272151
Energy: 1.3236776468145808
Energy: 1.338864745723018
Energy: 1.3236776468166793
Energy: 1.338864745726166
Energy: 1.452774388859867
Energy: 1.4286564880757584
Energy: 1.452774388859867
Energy: 1.4286564880757584
Energy: 1.4527743888609164
Energy: 1.4286564880757584
Energy: 1.4185156566121921
Energy: 1.353721918556464
Energy: 1.4185156566132413
Energy: 1.3537219185544132
Energy: 1.418515656611143
Energy: 1.3537219185575133
Energy: 1.4184481322902516
Energy: 1.4634107324931216
Energy: 1.4184481322933995
Energy: 1.4634107324920724
Energy: 1.4184481322944487
Energy: 1.4634107324952201
Energy: 1.3799118873204288
Energy: 1.3536872789263301
Energy: 1.379911887321478
Energy: 1.3536872789273795
Energy: 1.379911887321478
Energy: 1.3536872789273795

minimum gb energy = 1.2340415737973034 eV
minimum distance =  2.19612544100739 Angstroms
sigma value = 19


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

Energy: 1.2020853855539624
Energy: 1.1808638745434281
Energy: 1.2020853855545848
Energy: 1.1808638745440507
Energy: 1.2020853855545848
Energy: 1.1808638745440507
Energy: 1.339055674859045
Energy: 1.4132606754396169
Energy: 1.3390556748540656
Energy: 1.41326067543775
Energy: 1.339055674854688
Energy: 1.4132606754408616
Energy: 1.1091775279647187
Energy: 1.4116103130575968
Energy: 1.1091775279622291
Energy: 1.4116103130575968
Energy: 1.1091775279622291
Energy: 1.4116103130544846
Energy: 1.2665025331831299
Energy: 1.109625168621247
Energy: 1.2665025331825075
Energy: 1.1096251686193797
Energy: 1.2665025331856197
Energy: 1.1096251686187573
Energy: 1.1639711078155293
Energy: 1.1993001351974912
Energy: 1.1639711078186414
Energy: 1.1993001351993584
Energy: 1.1639711078155293
Energy: 1.1993001351999808
Energy: 1.1640212530348042
Energy: 1.1993422912977574
Energy: 1.1640212530354266
Energy: 1.1993422912977574
Energy: 1.164021253031692
Energy: 1.1993422912965124
Energy: 1.266522258003614
Energy: 1.1096011194950597
Energy: 1.2665222580073483
Energy: 1.109601119493815
Energy: 1.266522258005481
Energy: 1.1096011194944375
Energy: 1.1091775671088797
Energy: 1.4115610679539508
Energy: 1.1091775671070125
Energy: 1.4115610679533286
Energy: 1.1091775671082573
Energy: 1.411561067955818
Energy: 1.339050796813007
Energy: 1.413242116401694
Energy: 1.3390507968136294
Energy: 1.4132421164035611
Energy: 1.339050796816119
Energy: 1.4132421164035611
Energy: 1.2020853855539624
Energy: 1.1808638745440507
Energy: 1.2020853855545848
Energy: 1.1808638745434281
Energy: 1.2020853855539624
Energy: 1.1808638745446731
Energy: 1.3390556748521985
Energy: 1.4132606754408616
Energy: 1.339055674854688
Energy: 1.41326067543775
Energy: 1.3390556748565554
Energy: 1.4132606754389945
Energy: 1.1091775279609843
Energy: 1.4116103130569744
Energy: 1.1091775279622291
Energy: 1.411610313060086
Energy: 1.1091775279640963
Energy: 1.4116103130582192
Energy: 1.266502533181885
Energy: 1.1096251686206247
Energy: 1.2665025331831299
Energy: 1.1096251686206247
Energy: 1.2665025331856197
Energy: 1.109625168620002
Energy: 1.163971107814907
Energy: 1.1993001351993584
Energy: 1.1639711078173967
Energy: 1.1993001351987358
Energy: 1.163971107818019
Energy: 1.1993001351993584
Energy: 1.1640212530310698
Energy: 1.1993422912977574
Energy: 1.1640212530348042
Energy: 1.1993422912965124
Energy: 1.1640212530335594
Energy: 1.19934229129589
Energy: 1.2665222580048587
Energy: 1.1096011194944375
Energy: 1.266522258003614
Energy: 1.1096011194931927
Energy: 1.266522258008593
Energy: 1.1096011194925701
Energy: 1.1091775671051451
Energy: 1.4115610679545734
Energy: 1.1091775671070125
Energy: 1.411561067952706
Energy: 1.1091775671051451
Energy: 1.4115610679545734
Energy: 1.3390507968136294
Energy: 1.4132421164029387
Energy: 1.3390507968167416
Energy: 1.4132421164029387
Energy: 1.3390507968154965
Energy: 1.4132421164048057
Energy: 1.2020853855545848
Energy: 1.1808638745440507
Energy: 1.2020853855545848
Energy: 1.1808638745446731
Energy: 1.2020853855552074
Energy: 1.1808638745440507
Energy: 1.3390556748540656
Energy: 1.4132606754389945
Energy: 1.3390556748571776
Energy: 1.4132606754383723
Energy: 1.339055674852821
Energy: 1.4132606754408616
Energy: 1.1091775279634741
Energy: 1.4116103130588415
Energy: 1.1091775279647187
Energy: 1.4116103130575968
Energy: 1.1091775279628515
Energy: 1.4116103130569744
Energy: 1.266502533184375
Energy: 1.1096251686206247
Energy: 1.2665025331837523
Energy: 1.1096251686206247
Energy: 1.2665025331874866
Energy: 1.1096251686206247
Energy: 1.1639711078211312
Energy: 1.1993001351993584
Energy: 1.1639711078161519
Energy: 1.1993001352006032
Energy: 1.1639711078186414
Energy: 1.1993001352012254
Energy: 1.1640212530335594
Energy: 1.1993422912977574
Energy: 1.1640212530329368
Energy: 1.1993422912977574
Energy: 1.1640212530354266
Energy: 1.199342291297135
Energy: 1.2665222580048587
Energy: 1.109601119495682
Energy: 1.2665222580061035
Energy: 1.1096011194944375
Energy: 1.2665222580067257
Energy: 1.1096011194931927
Energy: 1.1091775671070125
Energy: 1.4115610679539508
Energy: 1.1091775671057678
Energy: 1.411561067955818
Energy: 1.10917756710639
Energy: 1.4115610679583077
Energy: 1.339050796816119
Energy: 1.4132421164041833
Energy: 1.339050796813007
Energy: 1.413242116401694
Energy: 1.3390507968111398
Energy: 1.4132421164041833
Energy: 1.2020853855545848
Energy: 1.1808638745434281
Energy: 1.2020853855545848
Energy: 1.1808638745440507
Energy: 1.2020853855545848
Energy: 1.1808638745440507
Energy: 1.3390556748553106
Energy: 1.4132606754402395
Energy: 1.3390556748584226
Energy: 1.4132606754402395
Energy: 1.339055674852821
Energy: 1.4132606754408616
Energy: 1.1091775279634741
Energy: 1.4116103130582192
Energy: 1.1091775279616065
Energy: 1.4116103130607087
Energy: 1.1091775279628515
Energy: 1.4116103130563518

minimum gb energy = 1.1091775279609843 eV
minimum distance =  2.21410311084903 Angstroms
sigma value = 27


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

Energy: 1.1786873421380017
Energy: 1.1257177382385277
Energy: 1.1786873421380017
Energy: 1.1257177382385277
Energy: 1.1786873421380017
Energy: 1.1257177382385277
Energy: 1.3334753319638872
Energy: 1.198608574234591
Energy: 1.333475331965412
Energy: 1.1986085742376402
Energy: 1.3334753319638872
Energy: 1.1986085742391646
Energy: 1.1526323851377969
Energy: 1.3268603454470114
Energy: 1.1526323851347475
Energy: 1.3268603454470114
Energy: 1.1526323851393212
Energy: 1.3268603454470114
Energy: 1.2877179345311314
Energy: 1.0905523300947764
Energy: 1.2877179345296068
Energy: 1.0905523300947764
Energy: 1.2877179345311314
Energy: 1.0905523300947764
Energy: 1.2879627776037499
Energy: 1.0905987826252121
Energy: 1.2879627776037499
Energy: 1.0905987826282613
Energy: 1.2879627776037499
Energy: 1.0905987826297858
Energy: 1.2963556529860913
Energy: 1.3704702219723497
Energy: 1.2963556529845668
Energy: 1.3704702219738742
Energy: 1.296355652987616
Energy: 1.3704702219738742
Energy: 1.2023434103944428
Energy: 1.2005647301800426
Energy: 1.2023434103959674
Energy: 1.200564730181567
Energy: 1.2023434103944428
Energy: 1.2005647301800426
Energy: 1.174106438500272
Energy: 1.1255857539633085
Energy: 1.174106438501797
Energy: 1.1255857539602594
Energy: 1.1741064384987476
Energy: 1.1255857539602594
Energy: 1.3334327590373458
Energy: 1.1528054129616248
Energy: 1.3334327590342967
Energy: 1.1528054129738212
Energy: 1.3334327590358215
Energy: 1.152805412957051
Energy: 1.2742860971966776
Energy: 1.3462686918956588
Energy: 1.2742860971966776
Energy: 1.3462686918926094
Energy: 1.274286097198202
Energy: 1.3462686918956588
Energy: 1.1269663784706636
Energy: 1.0910745080131456
Energy: 1.1269663784676145
Energy: 1.0910745080131456
Energy: 1.1269663784691393
Energy: 1.0910745080131456
Energy: 1.3646317337186182
Energy: 1.2417929735682278
Energy: 1.3646317337186182
Energy: 1.2417929735697524
Energy: 1.3646317337201426
Energy: 1.2417929735682278

minimum gb energy = 1.0905523300947764 eV
minimum distance =  2.19166590885166 Angstroms
sigma value = 9


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

Energy: 1.1426257751227609
Energy: 1.1200637603355963
Energy: 1.1426257751227609
Energy: 1.1200637603360246
Energy: 1.1426257751227609
Energy: 1.1200637603343113
Energy: 1.4939666297861298
Energy: 1.0664095910752456
Energy: 1.4939666297839882
Energy: 1.0664095910752456
Energy: 1.493966629786987
Energy: 1.0664095910752456
Energy: 1.0075099346651846
Energy: 1.4452209775611755
Energy: 1.0075099346643277
Energy: 1.4452209775577487
Energy: 1.0075099346651846
Energy: 1.445220977560747
Energy: 1.066980995234953
Energy: 1.0105426671909565
Energy: 1.0669809952353815
Energy: 1.0105426671836744
Energy: 1.06698099523581
Energy: 1.010542667179819
Energy: 1.113148066715068
Energy: 1.071558015280229
Energy: 1.1131480667154963
Energy: 1.071558015280229
Energy: 1.113148066718495
Energy: 1.0715580152806574
Energy: 1.123827052222228
Energy: 1.1114488395387214
Energy: 1.1238270522286538
Energy: 1.111448839534866
Energy: 1.1238270522290819
Energy: 1.1114488395344377
Energy: 1.056077226187272
Energy: 1.1724989748622656
Energy: 1.0560772261915554
Energy: 1.1724989748609804
Energy: 1.0560772261859868
Energy: 1.172498974860552
Energy: 0.9786879796130931
Energy: 1.1836145974953332
Energy: 0.9786879796130931
Energy: 1.1836145974944765
Energy: 0.9786879796130931
Energy: 1.183614597494905
Energy: 1.3394396102783224
Energy: 1.0715781892189018
Energy: 1.3394396102701833
Energy: 1.0715781892189018
Energy: 1.3394396102736104
Energy: 1.0715781892189018
Energy: 1.1547633873073802
Energy: 1.4597808362888491
Energy: 1.1547633873065235
Energy: 1.4597808362849938
Energy: 1.1547633873018504
Energy: 1.4597808362884206
Energy: 1.067358732765365
Energy: 1.0172290512548188
Energy: 1.06735873276665
Energy: 1.0172290512548188
Energy: 1.067358732767935
Energy: 1.0172290512548188
Energy: 1.044547261649353
Energy: 1.2490709761716445
Energy: 1.0445472616502096
Energy: 1.2490709761707879
Energy: 1.0445472616502096
Energy: 1.2490709761707879
Energy: 1.0980859891914703
Energy: 1.0820502455256664
Energy: 1.0980859891978958
Energy: 1.082050245526523
Energy: 1.0980859891906136
Energy: 1.0820502455239531
Energy: 1.1389349670007936
Energy: 1.478973552559331
Energy: 1.1389349670016502
Energy: 1.4789735525584742
Energy: 1.1389349669995084
Energy: 1.4789735525597592
Energy: 1.0359783100224147
Energy: 1.1492642830629582
Energy: 1.0359783100232713
Energy: 1.1492642830633868
Energy: 1.0359783100232713
Energy: 1.1492642830633868
Energy: 1.0296064321925444
Energy: 1.0583278799873816
Energy: 1.0296064321959715
Energy: 1.0583278799860965
Energy: 1.0296064321951146
Energy: 1.0583278799895235
Energy: 1.3117097219426042
Energy: 1.2880112192950706
Energy: 1.3117097219421756
Energy: 1.2880112192925004
Energy: 1.3117097219404625
Energy: 1.2880112192929287
Energy: 1.0531363826712035
Energy: 1.0716608241461594
Energy: 1.0531363826772007
Energy: 1.0716608241465877
Energy: 1.053136382683626
Energy: 1.0716608241465877
Energy: 0.9743254536622522
Energy: 1.4065918032522136
Energy: 0.9743254536661075
Energy: 1.406591803251357
Energy: 0.9743254536643939
Energy: 1.406591803251785
Energy: 1.458212510240616
Energy: 1.1136361336601024
Energy: 1.458212510240616
Energy: 1.113636133659674
Energy: 1.4582125102419012
Energy: 1.1136361336601024
Energy: 0.9743510835731326
Energy: 1.4066088953043028
Energy: 0.974351083573561
Energy: 1.406608895305588
Energy: 0.9743510835727044
Energy: 1.4066088953000193
Energy: 1.0531334447905427
Energy: 1.071658862345019
Energy: 1.0531334447943979
Energy: 1.071658862345019
Energy: 1.0531334447935412
Energy: 1.0716588623454475
Energy: 1.3116223020997604
Energy: 1.2879774863349078
Energy: 1.311622302098047
Energy: 1.2879774863447213
Energy: 1.3116223020984754
Energy: 1.2879774863395808
Energy: 1.0298084155183636
Energy: 1.057970677678783
Energy: 1.02980841551665
Energy: 1.0579706776710727
Energy: 1.029808415517507
Energy: 1.0579706776757847
Energy: 1.0360352586445098
Energy: 1.1491767857836177
Energy: 1.0360352586440813
Energy: 1.1491767857836177
Energy: 1.0360352586432249
Energy: 1.1491767857840458
Energy: 1.1390206022586156
Energy: 1.242984510617284
Energy: 1.1390206022599005
Energy: 1.242984510617284
Energy: 1.1390206022547602
Energy: 1.2429845106189974
Energy: 1.0979166669653941
Energy: 1.0820237595791498
Energy: 1.097916666968821
Energy: 1.0820237595838618
Energy: 1.0979166669696778
Energy: 1.0820237595774365
Energy: 1.0445532772230455
Energy: 1.032143146592471
Energy: 1.0445532772234738
Energy: 1.032143146592043
Energy: 1.0445532772221888
Energy: 1.0321431465903292
Energy: 1.0676165096608314
Energy: 1.0172560022807726
Energy: 1.067616509658261
Energy: 1.017256002281201
Energy: 1.0676165096574044
Energy: 1.0172560022807726
Energy: 1.1547757635511464
Energy: 1.5011188820297805
Energy: 1.15477576355286
Energy: 1.5011188820344925
Energy: 1.1547757635537166
Energy: 1.5011188820297805
Energy: 1.3394678357588377
Energy: 1.0718147665416193
Energy: 1.3394678357605512
Energy: 1.0718147665403341
Energy: 1.3394678357622647
Energy: 1.0718147665416193
Energy: 0.9785096286400238
Energy: 1.1835347131618787
Energy: 0.9785096286408804
Energy: 1.1835347131614504
Energy: 0.9785096286395952
Energy: 1.1835347131635923
Energy: 1.0561038045650182
Energy: 1.1727704841953026
Energy: 1.0561038045650182
Energy: 1.172770484199158
Energy: 1.0561038045645899
Energy: 1.172770484199158
Energy: 1.1236688031703639
Energy: 1.0384599045749627
Energy: 1.1236688031712208
Energy: 1.0384599045745342
Energy: 1.1236688031746085
Energy: 1.0384599045741059
Energy: 1.1129782343564287
Energy: 1.0715899717971749
Energy: 1.1129782343598558
Energy: 1.0715899717971749
Energy: 1.1129782343589991
Energy: 1.0715899717967463
Energy: 1.0668743828320446
Energy: 1.0108170555878042
Energy: 1.0668743828329013
Energy: 1.0108170555856624
Energy: 1.0668743828316163
Energy: 1.0108170555890894
Energy: 1.007416932813052
Energy: 1.444951036992193
Energy: 1.0074169328109102
Energy: 1.4449510369930498
Energy: 1.0074169328121954
Energy: 1.4449510369939063
Energy: 1.4940875527445823
Energy: 1.175936980076875
Energy: 1.4940875527445823
Energy: 1.1759369800773032
Energy: 1.4940875527411552
Energy: 1.175936980079445
Energy: 1.142625775128758
Energy: 1.1200637603394517
Energy: 1.1426257751283297
Energy: 1.1200637603381665
Energy: 1.1426257751291866
Energy: 1.1200637603381665
Energy: 1.493966629792127
Energy: 1.066409591079529
Energy: 1.4939666297891288
Energy: 1.066409591079529
Energy: 1.4939666297916987
Energy: 1.0664095910799576
Energy: 1.0075099346647562
Energy: 1.4452209775624607
Energy: 1.0075099346651846
Energy: 1.445220977556892
Energy: 1.0075099346651846
Energy: 1.445220977563746
Energy: 1.066980995234953
Energy: 1.0105426671849596
Energy: 1.0669809952366667
Energy: 1.0105426671845312
Energy: 1.06698099523581
Energy: 1.0105426671858162
Energy: 1.1131480667163531
Energy: 1.071558015282371
Energy: 1.1131480667180664
Energy: 1.0715580152819426
Energy: 1.11314806671978
Energy: 1.071558015282371

minimum gb energy = 0.9743254536622522 eV
minimum distance =  2.26576004663949 Angstroms
sigma value = 57


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

Energy: 0.8277825895433976
Energy: 0.765209774530959
Energy: 0.49956249540848197
Energy: 0.7652097745368096
Energy: 0.8277825895443727
Energy: 0.7652097745358346
Energy: 0.9253990931121032
Energy: 0.7526763245507796
Energy: 0.9253990931169789
Energy: 0.7527931384462853
Energy: 0.9253990931150287
Energy: 0.7526763245507796
Energy: 0.8304589348834116
Energy: 0.863726836744182
Energy: 0.8304589348834116
Energy: 1.052619984402288
Energy: 0.8304589348834116
Energy: 0.8637268366837247
Energy: 0.7663379101992118
Energy: 0.6632138731708015
Energy: 0.7663379101953114
Energy: 0.49887572885682935
Energy: 0.7663379102021372
Energy: 0.6632138731737268
Energy: 0.6610138740539772
Energy: 0.9321170976451693
Energy: 0.6610138740559273
Energy: 0.9321170976471194
Energy: 0.6610138740569024
Energy: 0.9321170976451693
Energy: 0.49903066772160226
Energy: 0.8296706273395077
Energy: 0.49903066772355253
Energy: 0.8296706273395077
Energy: 0.4990306677206271
Energy: 0.8296706273414579
Energy: 0.49902728796935625
Energy: 0.5712116487054474
Energy: 0.49902728796935625
Energy: 0.5712116487034972
Energy: 0.49902728796935625
Energy: 0.5712116487025221
Energy: 0.9266841709386026
Energy: 0.6671890664280652
Energy: 0.9266841709386026
Energy: 0.6671890664290403
Energy: 0.9266841709395774
Energy: 0.6671890664251399
Energy: 0.7662853140818626
Energy: 0.4988865923249067
Energy: 0.7662853140847881
Energy: 0.663228723074113
Energy: 0.7662853140818626
Energy: 0.49888659231613064
Energy: 0.5715037764660464
Energy: 0.8878865237871321
Energy: 0.571503776463121
Energy: 0.8878865237842067
Energy: 0.5715037764640961
Energy: 0.8878865237842067
Energy: 0.6605583531423345
Energy: 0.9467181280074258
Energy: 0.6605583531384783
Energy: 0.9467181280103513
Energy: 0.6605583531394535
Energy: 0.9467181280113264
Energy: 0.8277825895424223
Energy: 0.765209774530959
Energy: 0.4995624954075068
Energy: 0.7652097745338844
Energy: 0.8277825895433976
Energy: 0.7652097745348595
Energy: 0.9253990931121032
Energy: 0.7526763245488294
Energy: 0.9253990931160038
Energy: 0.7527931384482356
Energy: 0.9253990931160038
Energy: 0.7526763245498045
Energy: 0.8304589348853618
Energy: 0.8637268368016695
Energy: 0.8304589348843867
Energy: 1.0526199844052133
Energy: 0.8304589348814615
Energy: 0.8637268367363811
Energy: 0.7663379101982368
Energy: 0.6632138731717766
Energy: 0.7663379101953114
Energy: 0.4988757288548791
Energy: 0.766337910201162
Energy: 0.6632138731737268
Energy: 0.6610138740539772
Energy: 0.9321170976471194
Energy: 0.6610138740569024
Energy: 0.9321170976490696
Energy: 0.6610138740569024
Energy: 0.9321170976441941
Energy: 0.49903066772160226
Energy: 0.8296706273395077
Energy: 0.49903066772452764
Energy: 0.8296706273414579
Energy: 0.49903066772160226
Energy: 0.8296706273434082
Energy: 0.49902728796838114
Energy: 0.5712116487034972
Energy: 0.49902728796838114
Energy: 0.5712116487015468
Energy: 0.49902728796935625
Energy: 0.5712116487015468
Energy: 0.9266841709395774
Energy: 0.667189066426115
Energy: 0.9266841709395774
Energy: 0.6671890664241648
Energy: 0.9266841709405527
Energy: 0.6671890664202643

minimum gb energy = 0.4988757288548791 eV
minimum distance =  2.41357292391037 Angstroms
sigma value = 11


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

Energy: 1.0223032229310671
Energy: 1.1000636324464736
Energy: 1.0223032229310671
Energy: 1.1000636324464736
Energy: 1.0223032229303526
Energy: 1.1000636324457596
Energy: 1.1450511650318012
Energy: 1.055947925693797
Energy: 1.1450511650332296
Energy: 1.0559479256930828
Energy: 1.1450511650325153
Energy: 1.055947925693797
Energy: 1.1082358109240693
Energy: 1.4409508733272132
Energy: 1.1082358109262123
Energy: 1.4409508733272132
Energy: 1.1082358109262123
Energy: 1.4409508733343561
Energy: 1.2313994437822882
Energy: 0.9007361655895225
Energy: 1.2313994437830027
Energy: 0.9007361655895225
Energy: 1.2313994437822882
Energy: 0.9007361655895225
Energy: 1.0411792728184028
Energy: 0.8628657728531733
Energy: 1.0411792728169742
Energy: 0.8628657728538875
Energy: 1.04117927281626
Energy: 0.8628657728538875
Energy: 1.0373440031984433
Energy: 1.1657074697640657
Energy: 1.0373440031970147
Energy: 1.1657074697640657
Energy: 1.037344003197729
Energy: 1.1657074697640657
Energy: 0.8644568119100411
Energy: 1.2014478347335587
Energy: 0.8644568119086127
Energy: 1.2014478347328443
Energy: 0.8644568119107554
Energy: 1.2014478347349873
Energy: 1.1039295001282343
Energy: 0.8275335348099669
Energy: 1.1039295001289486
Energy: 0.8275335348092527
Energy: 1.1039295001289486
Energy: 0.8275335348092527
Energy: 1.0850517921037028
Energy: 0.8296250749801534
Energy: 1.0850517921037028
Energy: 0.8296250749808677
Energy: 1.0850517921022742
Energy: 0.8296250749808677
Energy: 0.8528691550185592
Energy: 1.3304440927226766
Energy: 0.8528691550171306
Energy: 1.3304440927226766
Energy: 0.8528691550164162
Energy: 1.3304440927226766
Energy: 1.2614047790983005
Energy: 1.3184936839830004
Energy: 1.2614047790975864
Energy: 1.3184936839830004
Energy: 1.2614047790990148
Energy: 1.3184936839830004
Energy: 1.0424051436703352
Energy: 0.8650260777866449
Energy: 1.0424051436703352
Energy: 0.8650260777866449
Energy: 1.0424051436681925
Energy: 0.8650260777866449
Energy: 1.1213222579821744
Energy: 0.9056807594746816
Energy: 1.1213222579814601
Energy: 0.9056807594761102
Energy: 1.1213222579807458
Energy: 0.9056807594746816
Energy: 1.1643480949176916
Energy: 1.4102755158169904
Energy: 1.1643480949176916
Energy: 1.4102755158127045
Energy: 1.16434809491912
Energy: 1.4102755158177045
Energy: 1.3521450191203557
Energy: 1.058678122965144
Energy: 1.3521450191189273
Energy: 1.0586781229658582
Energy: 1.3521450191189273
Energy: 1.0586781229658582
Energy: 0.9326596328693462
Energy: 1.098887489122211
Energy: 0.9326596328707748
Energy: 1.0988874891229254
Energy: 0.9326596328729176
Energy: 1.0988874891229254
Energy: 0.9816890175584692
Energy: 1.0553143778868117
Energy: 0.9816890175577548
Energy: 1.0553143778868117
Energy: 0.9816890175577548
Energy: 1.055314377887526
Energy: 1.353925342622921
Energy: 1.4257152344041855
Energy: 1.353925342622921
Energy: 1.4257152344106139
Energy: 1.3539253426243496
Energy: 1.4257152344077566
Energy: 1.2190602323900015
Energy: 0.8982746946116844
Energy: 1.2190602323900015
Energy: 0.8982746946116844
Energy: 1.2190602323914301
Energy: 0.8982746946109701
Energy: 1.042543424773469
Energy: 0.9905667807227287
Energy: 1.0425434247713263
Energy: 0.9905667807227287
Energy: 1.0425434247741836
Energy: 0.9905667807227287
Energy: 0.8516035441400153
Energy: 1.1663136621424537
Energy: 0.8516035441378724
Energy: 1.1663136621417394
Energy: 0.8516035441393011
Energy: 1.166313662143168
Energy: 1.0719119151502914
Energy: 1.201220555012089
Energy: 1.0719119151474341
Energy: 1.2012205550163744
Energy: 1.0719119151488627
Energy: 1.2012205550142316
Energy: 1.1933478533952782
Energy: 1.0036413867696374
Energy: 1.1933478533967066
Energy: 1.0036413867696374
Energy: 1.1933478533952782
Energy: 1.0036413867689231
Energy: 1.0844522456323362
Energy: 0.948924484084068
Energy: 1.0844522456330503
Energy: 0.9489244840847824
Energy: 1.0844522456316217
Energy: 0.9489244840847824
Energy: 0.8516209862225137
Energy: 1.3300583331912637
Energy: 0.8516209862217994
Energy: 1.3300583331905491
Energy: 0.8516209862210851
Energy: 1.3300583331912637
Energy: 1.5273401769460409
Energy: 1.3232384864859739
Energy: 1.5273401769460409
Energy: 1.3232384864866882
Energy: 1.5273401769467552
Energy: 1.3232384864859739

minimum gb energy = 0.8275335348092527 eV
minimum distance =  2.27732684621288 Angstroms
sigma value = 41


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

Energy: 1.1485853165177387
Energy: 0.9568775157879947
Energy: 1.1485853165171755
Energy: 0.9568775157868689
Energy: 1.1485853165171755
Energy: 0.9568775157829279
Energy: 1.2116584077347095
Energy: 1.2368385568392304
Energy: 1.2116584077347095
Energy: 1.2368385568386673
Energy: 1.2116584077341466
Energy: 1.2368385568386673
Energy: 1.4429834900650125
Energy: 1.6536226136913141
Energy: 1.4429834900655756
Energy: 1.6536226136918775
Energy: 1.4429834900655756
Energy: 1.6536226136935661
Energy: 1.1072591977218498
Energy: 0.9540058370259135
Energy: 1.1072591977229758
Energy: 0.9540058370253505
Energy: 1.1072591977224127
Energy: 0.9540058370253505
Energy: 0.9122812040532517
Energy: 1.0060938872876657
Energy: 0.9122812040526885
Energy: 1.0060938872882286
Energy: 0.9122812040532517
Energy: 1.0060938872876657
Energy: 1.1827205358040536
Energy: 1.407675950352024
Energy: 1.1827205358046167
Energy: 1.407675950352024
Energy: 1.1827205358034907
Energy: 1.407675950352024
Energy: 0.9543488113251493
Energy: 1.3985665135847731
Energy: 0.9543488113251493
Energy: 1.3985665135847731
Energy: 0.9543488113251493
Energy: 1.3985665135847731
Energy: 0.9401867289125143
Energy: 0.9536976680043936
Energy: 0.9401867289125143
Energy: 0.9536976680038306
Energy: 0.9401867289125143
Energy: 0.9536976680038306
Energy: 0.9320627025782686
Energy: 0.9870585363349813
Energy: 0.9320627025788316
Energy: 0.9870585363344183
Energy: 0.9320627025788316
Energy: 0.9870585363355443
Energy: 1.026123179937999
Energy: 1.5051718842456816
Energy: 1.0261231799385622
Energy: 1.5051718842445554
Energy: 1.026123179937436
Energy: 1.5051718842451185
Energy: 1.0223519180048735
Energy: 1.5065269064148226
Energy: 1.0223519180048735
Energy: 1.5065269064148226
Energy: 1.0223519180048735
Energy: 1.5065269064148226
Energy: 0.9216955830617029
Energy: 1.1132094451152954
Energy: 0.9216955830622658
Energy: 1.1132094451147325
Energy: 0.9216955830617029
Energy: 1.1132094451152954
Energy: 0.9499544985161539
Energy: 0.9539131442066281
Energy: 0.9499544985150278
Energy: 0.9539131442060649
Energy: 0.9499544985150278
Energy: 0.9539131442060649
Energy: 0.8909673716794971
Energy: 1.308551332410871
Energy: 0.8909673716794971
Energy: 1.308551332410871
Energy: 0.8909673716789341
Energy: 1.3085513324125602
Energy: 1.1854980130451065
Energy: 1.4091129120943675
Energy: 1.1854980130451065
Energy: 1.4091129120938044
Energy: 1.1854980130439807
Energy: 1.4091129120943675
Energy: 0.8921052762869036
Energy: 1.1409199802317298
Energy: 0.8921052762840888
Energy: 1.1409199802317298
Energy: 0.8921052762852146
Energy: 1.140919980231167
Energy: 0.9455623731832719
Energy: 0.9538111923227811
Energy: 0.9455623731855237
Energy: 0.953811192321655
Energy: 0.9455623731855237
Energy: 0.9538111923261589
Energy: 1.2493096617926311
Energy: 1.6555790447043857
Energy: 1.2493096617920678
Energy: 1.6555790447049485
Energy: 1.249309661791505
Energy: 1.6555790447066376
Energy: 1.2317494394521096
Energy: 1.2351342142334525
Energy: 1.2317494394526725
Energy: 1.2351342142334525
Energy: 1.2317494394521096
Energy: 1.2351342142334525
Energy: 1.0225016025241662
Energy: 1.0476563794938476
Energy: 1.0225016025230402
Energy: 1.0476563794938476
Energy: 1.0225016025241662
Energy: 1.0476563794932845
Energy: 0.9313562215978564
Energy: 1.2175818540652457
Energy: 0.9313562216006714
Energy: 1.2175818540658088
Energy: 0.9313562215989826
Energy: 1.2175818540658088
Energy: 1.0932850277593413
Energy: 1.5488173645678476
Energy: 1.0932850277604673
Energy: 1.548817364563907
Energy: 1.0932850277610302
Energy: 1.548817364563907
Energy: 1.108669758896978
Energy: 0.9514542707162617
Energy: 1.108669758896978
Energy: 0.9514542707168246
Energy: 1.108669758897541
Energy: 0.9514542707168246
Energy: 0.892361537939323
Energy: 1.126081497195195
Energy: 0.8923615379410118
Energy: 1.1260814971957578
Energy: 0.892361537939323
Energy: 1.126081497195195
Energy: 0.8927934479799872
Energy: 1.3201576784685234
Energy: 0.892793447981676
Energy: 1.3201576784685234
Energy: 0.8927934479799872
Energy: 1.3201576784679605
Energy: 0.9543151119001074
Energy: 1.3023927160891322
Energy: 0.9543151119001074
Energy: 1.3023927160891322
Energy: 0.9543151119001074
Energy: 1.3023927160891322
Energy: 0.9358469885301602
Energy: 0.9512482325211856
Energy: 0.9358469885295972
Energy: 0.9512482325211856
Energy: 0.9358469885307231
Energy: 0.9512482325217486
Energy: 0.9322780421582656
Energy: 1.1076112339368718
Energy: 0.9322780421571394
Energy: 1.107611233936309
Energy: 0.9322780421577026
Energy: 1.107611233936309
Energy: 1.0229448236983916
Energy: 1.2615979450504566
Energy: 1.0229448236978287
Energy: 1.2615979450498935
Energy: 1.0229448236978287
Energy: 1.2615979450504566
Energy: 1.3748284775224677
Energy: 1.2505753950719927
Energy: 1.3748284775224677
Energy: 1.2505753950719927
Energy: 1.3748284775219048
Energy: 1.2505753950731187
Energy: 0.9156640450972577
Energy: 1.114850765193263
Energy: 0.9156640450983836
Energy: 1.1148507651927
Energy: 0.9156640450978206
Energy: 1.1148507651927
Energy: 0.948559075663831
Energy: 0.9693632893886013
Energy: 0.948559075663831
Energy: 0.9693632893886013
Energy: 0.9485590756643939
Energy: 0.9693632893886013
Energy: 0.8924646488190542
Energy: 1.1611370797673095
Energy: 0.8924646488190542
Energy: 1.1611370797678726
Energy: 0.8924646488190542
Energy: 1.1611370797673095

minimum gb energy = 0.8909673716789341 eV
minimum distance =  2.30718139776355 Angstroms
sigma value = 33


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

Energy: 1.0824087909910607
Energy: 0.989930517544639
Energy: 1.0824087909899112
Energy: 0.9899305175454292
Energy: 1.0824087909938622
Energy: 0.9899305175485901
Energy: 1.1162178806672807
Energy: 0.948391686903328
Energy: 1.1162178806672807
Energy: 0.948391686903328
Energy: 1.116217880673243
Energy: 0.948391686903328
Energy: 1.0379971661665661
Energy: 1.534384328312759
Energy: 1.0379971661646268
Energy: 1.5343843283123282
Energy: 1.0379971661654168
Energy: 1.5343843283091672
Energy: 1.0255163674573333
Energy: 0.972848341504511
Energy: 1.0255163674581236
Energy: 0.972848341504511
Energy: 1.0255163674581236
Energy: 0.9728483415053013
Energy: 0.9930367798498841
Energy: 0.9720464492187292
Energy: 0.9930367798503151
Energy: 0.972046449253858
Energy: 0.9930367798487346
Energy: 0.9720464492412144
Energy: 1.3236080199893563
Energy: 1.0089158351548777
Energy: 1.3236080199901465
Energy: 1.008915835155668
Energy: 1.3236080199901465
Energy: 1.008915835155237
Energy: 1.0026972057632035
Energy: 1.1080576821131702
Energy: 1.0026972057627725
Energy: 1.1080576821135293
Energy: 1.0026972057619823
Energy: 1.1080576821115897
Energy: 1.0649080573527696
Energy: 1.0702172175710953
Energy: 1.0649080573539909
Energy: 1.0702172175691558
Energy: 1.0649080573535599
Energy: 1.0702172175691558
Energy: 1.0361247287081725
Energy: 1.0239090224705414
Energy: 1.036124728716865
Energy: 1.0239090224732712
Energy: 1.0361247287223962
Energy: 1.0239090224705414
Energy: 1.3925815930803862
Energy: 0.987632680885085
Energy: 1.3925815930803862
Energy: 0.987632680885085
Energy: 1.3925815930811765
Energy: 0.987632680885085
Energy: 1.0606938517211237
Energy: 1.0622923666650497
Energy: 1.060693851721914
Energy: 1.0622923666654092
Energy: 1.0606938517223448
Energy: 1.0622923666650497
Energy: 1.5685566423273398
Energy: 0.972567902227816
Energy: 1.5685566423309316
Energy: 0.9725679022298275
Energy: 1.5685566423305006
Energy: 0.9725679022309768
Energy: 1.0248586350244373
Energy: 1.036854236042791
Energy: 1.0248586350268079
Energy: 1.0368542360384805
Energy: 1.0248586350216355
Energy: 1.0368542360424318
Energy: 1.0813134274102079
Energy: 1.0617352152837949
Energy: 1.0813134274125784
Energy: 1.0617352152817834
Energy: 1.0813134274125784
Energy: 1.061735215283364
Energy: 1.0719066319230681
Energy: 1.0036970337720361
Energy: 1.0719066319238584
Energy: 1.0036970337716051
Energy: 1.071906631922709
Energy: 1.0036970337716051
Energy: 1.0124064319606043
Energy: 1.3268061386132137
Energy: 1.0124064319570842
Energy: 1.326806138613645
Energy: 1.0124064319602453
Energy: 1.3268061386128547
Energy: 0.9730566434011902
Energy: 0.9898376903807324
Energy: 0.9730541826290219
Energy: 0.9898376903807324
Energy: 0.9730675406374999
Energy: 0.9898376903810915
Energy: 0.970297636224109
Energy: 1.0328966490143396
Energy: 0.9702976362225285
Energy: 1.03289664901513
Energy: 0.9702976362228877
Energy: 1.0328966490139084
Energy: 1.5373508158378226
Energy: 1.0375062765049847
Energy: 1.5373508158374634
Energy: 1.0375062765049847
Energy: 1.5373508158406244
Energy: 1.0375062765046257
Energy: 1.2791012771077621
Energy: 1.0495953003676266
Energy: 1.2791012771104922
Energy: 1.0495953003676266
Energy: 1.279101277106541
Energy: 1.0495953003671956
Energy: 0.9848271086586602
Energy: 1.0820227273054783
Energy: 0.9848271086598096
Energy: 1.0820227273054783
Energy: 0.9848271086598096
Energy: 1.0820227273054783
Energy: 0.9450204764445063
Energy: 1.1169632414908128
Energy: 0.9450204764445063
Energy: 1.116963241487652
Energy: 0.9450204764425667
Energy: 1.1169632414868618
Energy: 1.4716808718029777
Energy: 1.2680123851171647
Energy: 1.4716808718025467
Energy: 1.2680123851175955
Energy: 1.4716808718017564
Energy: 1.2680123851175955
Energy: 0.9766385665841641
Energy: 1.0273482439531623
Energy: 0.976638566583374
Energy: 1.027348243952013
Energy: 0.9766385665845954
Energy: 1.0273482439531623
Energy: 0.9726958069474071
Energy: 0.9898278158253979
Energy: 0.9726958069892887
Energy: 0.9898278158253979
Energy: 0.9726958068759286
Energy: 0.989827815825757
Energy: 1.0076078563432593
Energy: 1.3228199714095505
Energy: 1.0076078563412476
Energy: 1.3228199714095505
Energy: 1.0076078563428281
Energy: 1.3228199714091198
Energy: 1.1213169397309821
Energy: 1.0033602947377218
Energy: 1.1213169397317722
Energy: 1.0033602947393023
Energy: 1.1213169397309821
Energy: 1.0033602947381528
Energy: 1.0726906004541354
Energy: 0.9779739665270913
Energy: 1.0726906004541354
Energy: 0.9779739665274506
Energy: 1.0726906004537045
Energy: 0.9779739665282409
Energy: 1.026100137995982
Energy: 1.0365946237470944
Energy: 1.026100138003094
Energy: 1.036594623748316
Energy: 1.0261001379939707
Energy: 1.0365946237470944
Energy: 0.9854232250532095
Energy: 1.3908758439036306
Energy: 0.9854232250547899
Energy: 1.3908758439036306
Energy: 0.9854232250544308
Energy: 1.3908758439036306
Energy: 1.0273872520109923
Energy: 0.9702358741394644
Energy: 1.0273872520114236
Energy: 0.9702358741394644
Energy: 1.0273872520114236
Energy: 0.9702358741398955
Energy: 0.9766834585639658
Energy: 1.5652200388320288
Energy: 0.9766834585611642
Energy: 1.5652200388315978
Energy: 0.9766834585627446
Energy: 1.5652200388315978
Energy: 1.279046169310967
Energy: 1.019780045756303
Energy: 1.2790461693078061
Energy: 1.019780045756303
Energy: 1.2790461693136967
Energy: 1.019780045755944
Energy: 1.0591882940528543
Energy: 1.0753121685469929
Energy: 1.059188294050843
Energy: 1.075312168547424
Energy: 1.059188294052064
Energy: 1.0753121685466338
Energy: 1.0592664727542345
Energy: 1.0751637072194287
Energy: 1.059266472751864
Energy: 1.0751637072186384
Energy: 1.0592664727538035
Energy: 1.0751637072182072
Energy: 1.2790321047074882
Energy: 1.0198394200920717
Energy: 1.2790321047082784
Energy: 1.019839420092862
Energy: 1.2790321047122293
Energy: 1.0198394200932932
Energy: 0.976994404230238
Energy: 1.5651836687113432
Energy: 0.9769944042330396
Energy: 1.5651836687117744
Energy: 0.9769944042338298
Energy: 1.5651836687113432
Energy: 1.0275858453060982
Energy: 0.9703030102952206
Energy: 1.0275858453072475
Energy: 0.9703030102952206
Energy: 1.027585845305308
Energy: 0.9703030102947895
Energy: 0.9857234014208244
Energy: 1.3906478591857194
Energy: 0.9857234014180226
Energy: 1.3906478591857194
Energy: 0.9857234014188129
Energy: 1.3906478591861502
Energy: 1.0261292196395215
Energy: 1.0363974041831638
Energy: 1.0261292196407428
Energy: 1.036397404175621
Energy: 1.026129219641533
Energy: 1.0363974041736812
Energy: 1.072587654680564
Energy: 0.9776710472805195
Energy: 1.072587654677834
Energy: 0.9776710472813096
Energy: 1.072587654684515
Energy: 0.9776710472809503
Energy: 1.1213060087260431
Energy: 1.0032734158688796
Energy: 1.1213060087272642
Energy: 1.00327341586967
Energy: 1.1213060087276236
Energy: 1.0032734158701009
Energy: 1.00744704291422
Energy: 1.3224171135910705
Energy: 1.0074470429129985
Energy: 1.3224171135910705
Energy: 1.0074470429122082
Energy: 1.3224171135918608
Energy: 0.9726190786077555
Energy: 0.9898766725329345
Energy: 0.9726190786168791
Energy: 0.9898766725337248
Energy: 0.9726190786224104
Energy: 0.9898766725333656
Energy: 0.9765893779025122
Energy: 1.0277107821123093
Energy: 0.9765893779048829
Energy: 1.0277107821102978
Energy: 0.9765893779036616
Energy: 1.027710782111088
Energy: 1.471483446621076
Energy: 1.267703528800321
Energy: 1.471483446620717
Energy: 1.2677035287999614
Energy: 1.4714834466230875
Energy: 1.267703528800321
Energy: 0.9450176576631428
Energy: 1.117879020748667
Energy: 0.9450176576639331
Energy: 1.1178790207502476
Energy: 0.9450176576642922
Energy: 1.117879020748667

minimum gb energy = 0.9450176576631428 eV
minimum distance =  2.29774226542033 Angstroms
sigma value = 67


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

Energy: 1.1254258089780125
Energy: 1.0374158835161773
Energy: 1.1254258089780125
Energy: 1.0374158835161773
Energy: 1.1254258089780125
Energy: 1.0374158835161773
Energy: 1.1033466631667237
Energy: 1.0001721255130651
Energy: 1.1033466631667237
Energy: 1.0001721255130651
Energy: 1.1033466631667237
Energy: 1.0001721255130651
Energy: 1.3743913350196952
Energy: 1.262741445976638
Energy: 1.0942010597851866
Energy: 1.262741445976638
Energy: 1.0942010597878271
Energy: 1.262741445976638
Energy: 1.1033570769722123
Energy: 1.0001742737526846
Energy: 1.1033570769722123
Energy: 1.0001742737526846
Energy: 1.1033570769722123
Energy: 1.0001742737526846
Energy: 1.1254258089780125
Energy: 1.0374158835135368
Energy: 1.1254258089780125
Energy: 1.0374158835135368
Energy: 1.1254258089780125
Energy: 1.0374158835161773
Energy: 1.1033466631667237
Energy: 1.0001721255130651
Energy: 1.1033466631667237
Energy: 1.0001721255130651
Energy: 1.1033466631667237
Energy: 1.0001721255130651
Energy: 1.054244592423138
Energy: 1.262741445976638
Energy: 1.054244592423138
Energy: 1.262741445976638
Energy: 1.3743913350223358
Energy: 1.262741445976638

minimum gb energy = 1.0001721255130651 eV
minimum distance =  2.29646427348081 Angstroms
sigma value = 3


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

Energy: 1.3402671328579987
Energy: 1.2050079882188818
Energy: 1.340267132854405
Energy: 1.2050079882188818
Energy: 1.3402671328508116
Energy: 1.2050079882152884
Energy: 1.218078837058982
Energy: 1.1378042037634903
Energy: 1.2180788370625752
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Energy: 1.23281900909525
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Energy: 1.2026528851047775
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Energy: 1.2026528850975906
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Energy: 1.2635077831043577
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Energy: 1.2993933306982226
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Energy: 1.1721751615573461
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Energy: 1.1721751615573461
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Energy: 1.2669520247512198
Energy: 1.2475784942048493
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Energy: 1.2135144152077155
Energy: 1.1404190312732774
Energy: 1.2135129157744238
Energy: 1.1404190312589038
Energy: 1.2135101897049043
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Energy: 1.2629265174101014
Energy: 1.1934708477318634
Energy: 1.262926517406508
Energy: 1.1934708477318634
Energy: 1.262926517413695
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Energy: 1.3271761602899186
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Energy: 1.2140420827840377
Energy: 1.1388181432226687
Energy: 1.21404208274451
Energy: 1.1388181432154818
Energy: 1.214042082737323
Energy: 1.1388181432190752
Energy: 1.2137001733732224
Energy: 1.2512288416424122
Energy: 1.2137001733732224
Energy: 1.2512288416352253
Energy: 1.2137001733804094
Energy: 1.2512288416424122
Energy: 1.378173234421436
Energy: 1.2511285322269912
Energy: 1.378173234421436
Energy: 1.2511285322269912
Energy: 1.378173234421436
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Energy: 1.201981146473506
Energy: 1.2308154226157266
Energy: 1.201981146473506
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Energy: 1.201981146473506
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Energy: 1.2760967619337518
Energy: 1.2202805405699109
Energy: 1.2760967619337518
Energy: 1.2202805405663173
Energy: 1.2760967619301584
Energy: 1.2202805405699109
Energy: 1.1533658642472353
Energy: 1.3050468658869447
Energy: 1.1533658642436417
Energy: 1.305046865890538
Energy: 1.1533658642400484
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Energy: 1.519641148546454
Energy: 1.20167645528391
Energy: 1.519641148546454
Energy: 1.20167645528391
Energy: 1.5196411485500474
Energy: 1.20167645528391
Energy: 1.1359041246171004
Energy: 1.304678217511818
Energy: 1.1359041246171004
Energy: 1.304678217511818
Energy: 1.1359041246171004
Energy: 1.304678217511818
Energy: 1.185736884717007
Energy: 1.220371121872776
Energy: 1.1857214135061904
Energy: 1.220371121872776
Energy: 1.1855351823056102
Energy: 1.2203711218691824
Energy: 1.1638662873695584
Energy: 1.3226182789799226
Energy: 1.1638662873767456
Energy: 1.3226182789871097
Energy: 1.1638662873839323
Energy: 1.3226182789727359
Energy: 1.3883195921189873
Energy: 1.1469909373827856
Energy: 1.3883195921189873
Energy: 1.1469909373827856
Energy: 1.3883195921225806
Energy: 1.146990937379192
Energy: 1.1942087226861207
Energy: 1.4720730218063787
Energy: 1.1942087226861207
Energy: 1.4720730218063787
Energy: 1.1942087226861207
Energy: 1.4720730218063787
Energy: 1.30265039469672
Energy: 1.1389910074619565
Energy: 1.30265039469672
Energy: 1.1389910074691434
Energy: 1.30265039469672
Energy: 1.1389910074655498
Energy: 1.2670226410796201
Energy: 1.209972392000833
Energy: 1.2670226410760268
Energy: 1.209972392000833
Energy: 1.2670226410760268
Energy: 1.209972392000833
Energy: 1.302759283346252
Energy: 1.1447745082216445
Energy: 1.3027592833497803
Energy: 1.1447745082216445
Energy: 1.302759283346252
Energy: 1.1447745082216445
Energy: 1.2507602497501094
Energy: 1.34581447935939
Energy: 1.2507602497501094
Energy: 1.3458144793557967
Energy: 1.250760249746516
Energy: 1.3458144793557967
Energy: 1.2500133934512312
Energy: 1.1991394079636908
Energy: 1.2500133934476378
Energy: 1.1991394079636908
Energy: 1.2500133934512312
Energy: 1.1991394079565039
Energy: 1.164025881124411
Energy: 1.2590562979833486
Energy: 1.164025881138785
Energy: 1.2590562979797553
Energy: 1.1640258811280044
Energy: 1.2590562979761617
Energy: 1.2297200980518765
Energy: 1.231429952021941
Energy: 1.22972009805547
Energy: 1.231429952021941
Energy: 1.22972009805547
Energy: 1.2314299520255345
Energy: 1.2236890770724818
Energy: 1.218847610938967
Energy: 1.223689077076075
Energy: 1.218847610938967
Energy: 1.2236890770724818
Energy: 1.218847610938967

minimum gb energy = 1.1359041246171004 eV
minimum distance =  2.24766626152694 Angstroms
sigma value = 81


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

Energy: 1.3174259418442624
Energy: 1.2181537770324462
Energy: 1.3174259418427827
Energy: 1.2181537770329396
Energy: 1.317425941843276
Energy: 1.2181537770324462
Energy: 1.1937709547960789
Energy: 1.1669897220725294
Energy: 1.1937709547960789
Energy: 1.166989722074009
Energy: 1.1937709547965722
Energy: 1.16698972207105
Energy: 1.3639200089623893
Energy: 1.3476371330498085
Energy: 1.363920008961403
Energy: 1.3476371330493155
Energy: 1.3639200089618964
Energy: 1.3476371330498085
Energy: 1.2175359144962896
Energy: 1.2485737748893333
Energy: 1.2175359144967826
Energy: 1.248573774888347
Energy: 1.2175359144967826
Energy: 1.2485737748878538
Energy: 1.2478789885407082
Energy: 1.1635852921321475
Energy: 1.2478789885407082
Energy: 1.1635852921321475
Energy: 1.2478789885412014
Energy: 1.1635852921321475
Energy: 1.1587658002384775
Energy: 1.127111281259095
Energy: 1.158765800239957
Energy: 1.1271112812600814
Energy: 1.1587658002409433
Energy: 1.1271112812571222
Energy: 1.112657254887743
Energy: 1.132996891288501
Energy: 1.1126572548872498
Energy: 1.132996891288501
Energy: 1.112657254887743
Energy: 1.1329968912889938
Energy: 1.2205179439133007
Energy: 1.1941569527304496
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Energy: 1.2205179439128075
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Energy: 1.2849522635196098
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Energy: 1.2849522635156643
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Energy: 1.284952263522076
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Energy: 1.2606215148198956
Energy: 1.5388029254031295
Energy: 1.2042564359036643
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Energy: 1.204256435902678
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Energy: 1.153464959003393
Energy: 1.128393460516769
Energy: 1.1719129010263645
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Energy: 1.1719129010234053
Energy: 1.1283934605187418
Energy: 1.1719129010253782
Energy: 1.1933815466777804
Energy: 1.2362552654992638
Energy: 1.1933815466777804
Energy: 1.2362552654963044
Energy: 1.1933815466767939
Energy: 1.236255265497784
Energy: 1.2846687703170283
Energy: 1.3161587563756645
Energy: 1.2846687703155486
Energy: 1.3161587563756645
Energy: 1.284668770316042
Energy: 1.3161587563761576
Energy: 1.2996339382159052
Energy: 1.0973305093643544
Energy: 1.2996339382154118
Energy: 1.0973305093643544
Energy: 1.2996339382159052
Energy: 1.0973305093638612
Energy: 1.2204109754162211
Energy: 1.1630356341882198
Energy: 1.2204109754147416
Energy: 1.1630356341877712
Energy: 1.2204109754142483
Energy: 1.1630356341882198
Energy: 1.2591036968315978
Energy: 1.1277202723779693
Energy: 1.259103696837023
Energy: 1.1277202723750102
Energy: 1.259103696829625
Energy: 1.127720272375503
Energy: 1.1337705728422545
Energy: 1.3097485546935386
Energy: 1.1337705728447203
Energy: 1.3097485546935386
Energy: 1.1337705728427474
Energy: 1.3097485546935386
Energy: 1.3503228629813149
Energy: 1.3247150006624835
Energy: 1.350322862981808
Energy: 1.32471500066199
Energy: 1.350322862981808
Energy: 1.3247150006654425
Energy: 1.247746121469062
Energy: 1.369944596136209
Energy: 1.247746121472514
Energy: 1.369944596135716
Energy: 1.247746121472021
Energy: 1.3699445961367023
Energy: 1.2005201198159094
Energy: 1.2464151650471609
Energy: 1.2005201198159094
Energy: 1.2464151650476543
Energy: 1.2005201198154163
Energy: 1.2464151650471609
Energy: 1.2316925670130559
Energy: 1.156958852767569
Energy: 1.2316925670135492
Energy: 1.1569588527665824
Energy: 1.2316925670140424
Energy: 1.156958852765596
Energy: 1.192753067290107
Energy: 1.095656971935056
Energy: 1.1927530672861615
Energy: 1.095656971935056
Energy: 1.1927530672920796
Energy: 1.0956569719345628
Energy: 1.1973587264165935
Energy: 1.2225214695678892
Energy: 1.197358726418073
Energy: 1.2225214695659163
Energy: 1.1973587264175798
Energy: 1.2225214695654232
Energy: 1.2847095169939806
Energy: 1.3371716561269118
Energy: 1.2847095169915146
Energy: 1.3371716561195142
Energy: 1.2847095169959533
Energy: 1.3371716561190208
Energy: 1.299746812657255
Energy: 1.4689965347519354
Energy: 1.2997468126577478
Energy: 1.4689965347514422
Energy: 1.2997468126582412
Energy: 1.4689965347519354
Energy: 1.1336320973325087
Energy: 1.218772908999689
Energy: 1.1336320973315221
Energy: 1.2187729090001822
Energy: 1.1336320973339884
Energy: 1.2187729090001822
Energy: 1.1727859685600057
Energy: 1.1274872765428918
Energy: 1.1727859685560602
Energy: 1.1274872765423987
Energy: 1.1727859685565536
Energy: 1.1274872765428918
Energy: 1.236308627201595
Energy: 1.19302429354421
Energy: 1.2363086272025814
Energy: 1.19302429354421
Energy: 1.2363086272035677
Energy: 1.19302429354421
Energy: 1.347931791011514
Energy: 1.096041151331418
Energy: 1.3479317910105275
Energy: 1.096041151331418
Energy: 1.347931791011514
Energy: 1.096041151331911
Energy: 1.247560705433621
Energy: 1.3000826745542902
Energy: 1.2475607054351006
Energy: 1.300082674553797
Energy: 1.2475607054370734
Energy: 1.300082674553797
Energy: 1.1635754740503184
Energy: 1.2224451905583469
Energy: 1.1635754740503184
Energy: 1.2224451905563742
Energy: 1.1635754740503184
Energy: 1.2224451905593332
Energy: 1.1283025020581856
Energy: 1.212370677513774
Energy: 1.128302502059172
Energy: 1.2123645051411152
Energy: 1.1283025020581856
Energy: 1.2123537459533607
Energy: 1.1283949174195
Energy: 1.1102182247710723
Energy: 1.1283949174219663
Energy: 1.1102182247710723
Energy: 1.1283949174209797
Energy: 1.1102182247710723
Energy: 1.1832812510260764
Energy: 1.595329375510033
Energy: 1.183281251020158
Energy: 1.595329375510526
Energy: 1.1832812510167505
Energy: 1.5953293755110194
Energy: 1.3713704959471347
Energy: 1.24782458796337
Energy: 1.3713704959520667
Energy: 1.2478245879623837
Energy: 1.3713704959422028
Energy: 1.2478245879638634
Energy: 1.2362200491174387
Energy: 1.1840488806657306
Energy: 1.236220049113
Energy: 1.1840488806677032
Energy: 1.236220049120398
Energy: 1.1840488806657306
Energy: 1.154115444210456
Energy: 1.13277165923881
Energy: 1.154115444210456
Energy: 1.1327716592383168
Energy: 1.1541154442099628
Energy: 1.1327716592378234

minimum gb energy = 1.0956569719345628 eV
minimum distance =  2.31073276123352 Angstroms
sigma value = 43


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

Energy: 1.4181225434419589
Energy: 1.2002424911035188
Energy: 1.4181225434425646
Energy: 1.2002424911035188
Energy: 1.4181225434425646
Energy: 1.2002424911035188
Energy: 1.2331114017440992
Energy: 1.136119519044943
Energy: 1.2331114017434937
Energy: 1.136119519044943
Energy: 1.2331114017440992
Energy: 1.136119519044943
Energy: 1.3271366254365762
Energy: 1.3495801835894679
Energy: 1.3271366254365762
Energy: 1.3495801835894679
Energy: 1.3271366254365762
Energy: 1.3495801835900738
Energy: 1.2033702191844924
Energy: 1.168325187488667
Energy: 1.203370219185098
Energy: 1.168325187488667
Energy: 1.2033702191844924
Energy: 1.168325187488667
Energy: 1.2301102518097335
Energy: 1.219406003909778
Energy: 1.2301102518097335
Energy: 1.2194060039073549
Energy: 1.2301102518091276
Energy: 1.2194060039073549
Energy: 1.1703087631035145
Energy: 1.230654106899331
Energy: 1.1703087631016973
Energy: 1.2306541069005426
Energy: 1.170308763102303
Energy: 1.230654106899331
Energy: 1.270716745463184
Energy: 1.3665783520261652
Energy: 1.2707167454625783
Energy: 1.3665783520255592
Energy: 1.2707167454625783
Energy: 1.3665783520255592
Energy: 1.1771375918751097
Energy: 1.2719457725574357
Energy: 1.1771375918751097
Energy: 1.2719457725562242
Energy: 1.1771375918751097
Energy: 1.2719457725562242
Energy: 1.3259265075573168
Energy: 1.1099595290733855
Energy: 1.3259265075573168
Energy: 1.1099595290751754
Energy: 1.3259265075567108
Energy: 1.1099595290745694
Energy: 1.1635759936730614
Energy: 1.374902679344094
Energy: 1.1635759936730614
Energy: 1.374902679344094
Energy: 1.1635759936730614
Energy: 1.3749026793446997
Energy: 1.3285260794996894
Energy: 1.1379613536444926
Energy: 1.3285260794990834
Energy: 1.1379613536438868
Energy: 1.3285260794996894
Energy: 1.1379613536444926
Energy: 1.1771840939851443
Energy: 1.2110575215841406
Energy: 1.1771840939845386
Energy: 1.2110575215853523
Energy: 1.1771840939851443
Energy: 1.2110575215853523
Energy: 1.2733952232913124
Energy: 1.230051459022637
Energy: 1.2733952232713208
Energy: 1.2300514590232425
Energy: 1.273395223054554
Energy: 1.2300514590232425
Energy: 1.1110037363951641
Energy: 1.3466335540330803
Energy: 1.1110037363945584
Energy: 1.3466335540348977
Energy: 1.1110037363951641
Energy: 1.3466335540330803
Energy: 1.236530945516585
Energy: 1.2237683145361196
Energy: 1.2365309455153732
Energy: 1.2237683145355138
Energy: 1.236530945516585
Energy: 1.2237683145361196
Energy: 1.188617866500267
Energy: 1.262184084877867
Energy: 1.188617866499661
Energy: 1.262184084877867
Energy: 1.1886178664990552
Energy: 1.262184084877867
Energy: 1.2920612598146954
Energy: 1.1364350505332486
Energy: 1.292061259815907
Energy: 1.1364350505326701
Energy: 1.2920612598153014
Energy: 1.1364350505332486
Energy: 1.3298899105679016
Energy: 1.198104154171605
Energy: 1.3298899105685074
Energy: 1.198104154171605
Energy: 1.329889910569113
Energy: 1.198104154171605
Energy: 1.2580147302340483
Energy: 1.1573670355679513
Energy: 1.2580147302334426
Energy: 1.15736703556674
Energy: 1.2580147302322309
Energy: 1.157367035566134
Energy: 1.2911052911179306
Energy: 1.2473125206471047
Energy: 1.2911052911191423
Energy: 1.2473125206477103
Energy: 1.2911052911191423
Energy: 1.2473125206471047
Energy: 1.1883728827893192
Energy: 1.1986838609218011
Energy: 1.188372882789925
Energy: 1.19868386092483
Energy: 1.1883728827893192
Energy: 1.19868386092483
Energy: 1.297970810323535
Energy: 1.2349658503830871
Energy: 1.2979708103241407
Energy: 1.2349658503830871
Energy: 1.297970810323535
Energy: 1.2349658503830871
Energy: 1.1111301343542126
Energy: 1.2594656768051655
Energy: 1.1111301343536069
Energy: 1.2594656768051655
Energy: 1.1111301343542126
Energy: 1.2594656768051655
Energy: 1.276031057178283
Energy: 1.2303639156017463
Energy: 1.276031057177677
Energy: 1.230363915602352
Energy: 1.2760310571788887
Energy: 1.230363915602352
Energy: 1.1770541379969348
Energy: 1.177785756319583
Energy: 1.177054137996329
Energy: 1.1777857563189773
Energy: 1.177054137996329
Energy: 1.177785756319583
Energy: 1.2963565672388684
Energy: 1.2157784248252919
Energy: 1.2963565672382624
Energy: 1.2157784248258978
Energy: 1.2963565672388684
Energy: 1.2157784248258978
Energy: 1.2138664186497385
Energy: 1.3244109256306091
Energy: 1.2138664186491326
Energy: 1.3244109256312149
Energy: 1.21386641865095
Energy: 1.3244109256312149
Energy: 1.3254336355698113
Energy: 1.2087763281543358
Energy: 1.3254336355704173
Energy: 1.2087763281543358
Energy: 1.3254336355692058
Energy: 1.2087763281549417
Energy: 1.1771780611719591
Energy: 1.2756031153550846
Energy: 1.1771780611737765
Energy: 1.2756031153556906
Energy: 1.1771780611719591
Energy: 1.2756031153550846
Energy: 1.2454070434853346
Energy: 1.269690671547994
Energy: 1.2454070434853346
Energy: 1.2696906715473881
Energy: 1.2454070434871518
Energy: 1.269690671547994
Energy: 1.1704661081287493
Energy: 1.2304053384120663
Energy: 1.1704661081275378
Energy: 1.2304053384120663
Energy: 1.1704661081275378
Energy: 1.2304053384120663

minimum gb energy = 1.1099595290733855 eV
minimum distance =  2.26169261778028 Angstroms
sigma value = 57


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

Energy: 1.2458628015119044
Energy: 1.099825406736154
Energy: 1.24586280151112
Energy: 1.099825406736154
Energy: 1.2458628015119044
Energy: 1.099825406736154
Energy: 1.166173834559685
Energy: 1.0438889445157677
Energy: 1.166173834559685
Energy: 1.0438889445149833
Energy: 1.166173834559685
Energy: 1.0438889445149833
Energy: 1.2173410286106363
Energy: 1.3086218288779097
Energy: 1.217341028604361
Energy: 1.3086218288779097
Energy: 1.217341028604361
Energy: 1.3086218288779097
Energy: 1.1452994354371189
Energy: 1.2141753605316787
Energy: 1.1452994354394719
Energy: 1.2141753605316787
Energy: 1.1452994354379031
Energy: 1.2141753605316787
Energy: 1.1961051600427226
Energy: 1.2137753522303807
Energy: 1.1961051600450758
Energy: 1.2137753522311652
Energy: 1.1961051600442913
Energy: 1.2137753522311652
Energy: 1.217676847025057
Energy: 1.156269548079282
Energy: 1.2176768470266255
Energy: 1.1562695480784975
Energy: 1.2176768470305475
Energy: 1.156269548079282
Energy: 1.2135377287408773
Energy: 1.1679007549005784
Energy: 1.2135377287408773
Energy: 1.1679007549021472
Energy: 1.2135377287408773
Energy: 1.1679007548950877
Energy: 1.2475098120695154
Energy: 1.103576708345633
Energy: 1.2475098120695154
Energy: 1.103576708345633
Energy: 1.2475098120710844
Energy: 1.1035767083464174
Energy: 1.1958696494110812
Energy: 1.0440229754634316
Energy: 1.1958696494102967
Energy: 1.0440229754626473
Energy: 1.1958696494150032
Energy: 1.0440229754626473
Energy: 1.0519682283473117
Energy: 1.1702145850129722
Energy: 1.051968228348096
Energy: 1.1702145850121877
Energy: 1.0519682283473117
Energy: 1.1702145850129722
Energy: 1.213383938572998
Energy: 1.2164086909982577
Energy: 1.213383938572998
Energy: 1.216408690999042
Energy: 1.2133839385737826
Energy: 1.216408690999042
Energy: 1.2022754250240157
Energy: 1.2621564123167688
Energy: 1.2022754250263687
Energy: 1.2621564123151998
Energy: 1.2022754250255843
Energy: 1.2621564123151998
Energy: 1.201415779374104
Energy: 1.0440143724389148
Energy: 1.201415779374104
Energy: 1.0440143724381303
Energy: 1.201415779374888
Energy: 1.0440143724381303
Energy: 1.3378501941689562
Energy: 1.0528489346005068
Energy: 1.3378501941681715
Energy: 1.0528489346005068
Energy: 1.3378501941681715
Energy: 1.0528489346005068
Energy: 1.197856705910692
Energy: 1.0502319978371912
Energy: 1.197856705910692
Energy: 1.0502319978364065
Energy: 1.1978567059114764
Energy: 1.0502319978364065
Energy: 1.1906761224322013
Energy: 1.1441848981687908
Energy: 1.1906761224322013
Energy: 1.1441848981695748
Energy: 1.1906761224314173
Energy: 1.1441848981695748
Energy: 1.0510988484929478
Energy: 1.1665879400555585
Energy: 1.0510988484929478
Energy: 1.166587940056343
Energy: 1.0510988484921633
Energy: 1.1665879400555585
Energy: 1.2107392157319714
Energy: 1.0523135178903136
Energy: 1.2107392157319714
Energy: 1.0523135178903136
Energy: 1.2107392157319714
Energy: 1.1775662914414102
Energy: 1.051084159863864
Energy: 1.1663932016682537
Energy: 1.0510841598622953
Energy: 1.1663932016682537
Energy: 1.0510841598630796
Energy: 1.1663932016674694
Energy: 1.1907238841505192
Energy: 1.1441716368105659
Energy: 1.1907238841513035
Energy: 1.1441716368105659
Energy: 1.1907238841513035
Energy: 1.1441716368113501
Energy: 1.1978410848733319
Energy: 1.050254709754042
Energy: 1.1978410848725476
Energy: 1.0502547097532577
Energy: 1.1978410848725476
Energy: 1.0502547097532577
Energy: 1.3378459368872557
Energy: 1.2144721992969656
Energy: 1.3378459368864712
Energy: 1.2144721992969656
Energy: 1.3378459368872557
Energy: 1.2144721992969656
Energy: 1.2014877227356657
Energy: 1.0440554580753902
Energy: 1.201487722738019
Energy: 1.0440554580753902
Energy: 1.2014877227356657
Energy: 1.0440554580753902
Energy: 1.2022648839548402
Energy: 1.2621271343362215
Energy: 1.2022648839532715
Energy: 1.2621271343291622
Energy: 1.202264883954056
Energy: 1.2621271343283778

minimum gb energy = 1.0438889445149833 eV
minimum distance =  2.24645811645011 Angstroms
sigma value = 17


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

Energy: 1.1713419427840523
Energy: 1.0433734532962238
Energy: 1.171341942782943
Energy: 1.0433734532962238
Energy: 1.1713419427840523
Energy: 1.0433734532962238
Energy: 1.0023853777811385
Energy: 0.9907548563581008
Energy: 1.0023853777811385
Energy: 0.9907548563581008
Energy: 1.0023853777811385
Energy: 0.99075485635921
Energy: 1.1507101229732462
Energy: 1.1733062681705655
Energy: 1.1507101229732462
Energy: 1.1733062681705655
Energy: 1.1507101229732462
Energy: 1.1733062681705655
Energy: 0.9413502536805347
Energy: 1.1776193238670831
Energy: 0.9413502536805347
Energy: 1.1776193238670831
Energy: 0.9413502536805347
Energy: 1.1776193238681925
Energy: 1.1637398654061961
Energy: 1.105082220379852
Energy: 1.1637398654039772
Energy: 1.105082220379852
Energy: 1.1637398654039772
Energy: 1.1050822203787427
Energy: 1.0691929956088855
Energy: 1.1381876618635858
Energy: 1.0691929956088855
Energy: 1.1381876618635858
Energy: 1.0691929956088855
Energy: 1.1381876618635858
Energy: 1.1367223794107217
Energy: 1.0020163440931524
Energy: 1.1367223794107217
Energy: 1.0020163440931524
Energy: 1.1367223794107217
Energy: 1.0020163440931524
Energy: 0.9414895681896158
Energy: 1.1729591738510037
Energy: 0.9414895681907252
Energy: 1.1729579108979875
Energy: 0.9414895681907252
Energy: 1.1727053375165226
Energy: 1.146407849125938
Energy: 0.9908403614915786
Energy: 1.1464078491270473
Energy: 0.9908403614915786
Energy: 1.1464078491270473
Energy: 0.9908403614915786
Energy: 1.068068201783362
Energy: 1.004924707457965
Energy: 1.068068201783362
Energy: 1.004924707457965
Energy: 1.068068201783362
Energy: 1.004924707457965
Energy: 1.0506362074052622
Energy: 1.0515274970682726
Energy: 1.0506362074052622
Energy: 1.0515274970672137
Energy: 1.0506362074041529
Energy: 1.0515274970682726
Energy: 1.1350133175630697
Energy: 1.1125674944568027
Energy: 1.1350133175209167
Energy: 1.1125674944568027
Energy: 1.1350133174011643
Energy: 1.1125674944568027
Energy: 0.9417906019601846
Energy: 1.1368153519578106
Energy: 0.9417906019601846
Energy: 1.1368153519578106
Energy: 0.9417906019601846
Energy: 1.1368153519578106
Energy: 1.0670731247121175
Energy: 1.1512218758519932
Energy: 1.0670731247121175
Energy: 1.1512218758519932
Energy: 1.0670731247121175
Energy: 1.1512218758519932
Energy: 1.06717169732761
Energy: 1.1143623404370258
Energy: 1.06717169732761
Energy: 1.1143623404359166
Energy: 1.06717169732761
Energy: 1.1143623404370258
Energy: 1.0671222761636605
Energy: 1.4068551214960185
Energy: 1.0671222761636605
Energy: 1.4068551214949092
Energy: 1.0671222761636605
Energy: 1.4068551214949092
Energy: 1.065478037740315
Energy: 1.1491391080746447
Energy: 1.065478037740315
Energy: 1.1491391080746447
Energy: 1.065478037740315
Energy: 1.1491391080746447

minimum gb energy = 0.9413502536805347 eV
minimum distance =  2.30049543922692 Angstroms
sigma value = 17


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

Energy: 1.0618990166237563
Energy: 0.9497815140816491
Energy: 1.0618990166233278
Energy: 0.9497815140820774
Energy: 1.0618990166241846
Energy: 0.9497815140829341
Energy: 0.9820126286130929
Energy: 0.9185531019839347
Energy: 0.9820126286122363
Energy: 0.9185531019830777
Energy: 0.9820126286130929
Energy: 0.9185531019839347
Energy: 1.0188647388547436
Energy: 1.0247349862051325
Energy: 1.0188647388521734
Energy: 1.0247349862051325
Energy: 1.0188647388530303
Energy: 1.0247349862055608
Energy: 0.9875446171737372
Energy: 1.046556934554115
Energy: 0.987544617173309
Energy: 1.0465569345536867
Energy: 0.987544617172452
Energy: 1.0465569345536867
Energy: 0.9579219718019053
Energy: 0.9116177673356417
Energy: 0.9579219718036189
Energy: 0.9116177673356417
Energy: 0.9579219718023337
Energy: 0.9116177673360701
Energy: 1.0205643377002862
Energy: 0.9948978083632323
Energy: 1.0205643377002862
Energy: 0.9948978083632323
Energy: 1.0205643376998577
Energy: 0.9948978083632323
Energy: 0.9628182999202307
Energy: 0.9596737866319885
Energy: 0.9628182999202307
Energy: 0.9596737866319885
Energy: 0.9628182999193741
Energy: 0.9596737866319885
Energy: 1.066717853539695
Energy: 1.0692018218050725
Energy: 1.066717853540552
Energy: 1.0692018218055006
Energy: 1.066717853540552
Energy: 1.069201821801256
Energy: 1.0004234995521055
Energy: 1.012391553431533
Energy: 1.0004234995525338
Energy: 1.0123915534319612
Energy: 1.0004234995521055
Energy: 1.0123915534319612
Energy: 0.9621973862899864
Energy: 0.8678254074351947
Energy: 0.9621973862899864
Energy: 0.867825407435623
Energy: 0.962197386289558
Energy: 0.8678254074351947
Energy: 0.8833071092143111
Energy: 0.9271263053046732
Energy: 0.8833071092143111
Energy: 0.9283881002706424
Energy: 0.8833071092138827
Energy: 0.928558569547866
Energy: 1.0782734013161828
Energy: 0.9326704468515592
Energy: 1.0782734013157544
Energy: 0.9326704468519874
Energy: 1.0782734013157544
Energy: 0.9326704468524158
Energy: 0.964488127039491
Energy: 0.9367275117978895
Energy: 0.964488127039491
Energy: 0.936727511798318
Energy: 0.9644881270382059
Energy: 0.9367275117978895
Energy: 0.9775771571373669
Energy: 0.9521555032839449
Energy: 0.9775771571365104
Energy: 0.9521555032818032
Energy: 0.9775771571382237
Energy: 0.95215550328266
Energy: 1.0428737322046095
Energy: 1.0359238625904754
Energy: 1.0428737322067516
Energy: 1.0359238625909037
Energy: 1.042873732215747
Energy: 1.0359238625904754
Energy: 0.8848289005524849
Energy: 0.995769882279986
Energy: 0.8848289005529132
Energy: 0.995769882279986
Energy: 0.884828900551628
Energy: 0.995769882279986
Energy: 0.9761340046176646
Energy: 1.0138848836890282
Energy: 0.9761340046168078
Energy: 1.0138848836894565
Energy: 0.9761340046168078
Energy: 1.0138848836894565
Energy: 1.0244822952609542
Energy: 1.0114555720282716
Energy: 1.0244822952600976
Energy: 1.0114555720278435
Energy: 1.0244822952596693
Energy: 1.0114555720287002
Energy: 0.9740747429444998
Energy: 0.9944705391627783
Energy: 0.9740747429436432
Energy: 0.9944705391632067
Energy: 0.9740747429436432
Energy: 0.9944705391632067
Energy: 0.9748209560243073
Energy: 1.0151187886045026
Energy: 0.9748209560247358
Energy: 1.0151187886040742
Energy: 0.9748209560255924
Energy: 1.0151187886045026
Energy: 0.9740353987412607
Energy: 0.9947681023735501
Energy: 0.9740353987421173
Energy: 0.9947681023739784
Energy: 0.9740353987408322
Energy: 0.9947681023739784
Energy: 1.024457085845213
Energy: 1.0114571908033259
Energy: 1.0244570858482116
Energy: 1.011457190803754
Energy: 1.0244570858456414
Energy: 1.0114571908033259
Energy: 0.9762307016434694
Energy: 1.013550540854562
Energy: 0.976230701644326
Energy: 1.013550540854562
Energy: 0.9762307016447545
Energy: 1.013550540854562
Energy: 0.8833703155215094
Energy: 1.0792505083076518
Energy: 0.8833703155206524
Energy: 1.079250508310222
Energy: 0.8833703155206524
Energy: 1.0792505083119355
Energy: 1.0428470472944733
Energy: 1.0360026349977767
Energy: 1.0428470472910465
Energy: 1.0360026349977767
Energy: 1.0428470472923315
Energy: 1.03600263499692
Energy: 0.9776971345546958
Energy: 0.9516375092430408
Energy: 0.9776971345542675
Energy: 0.9516375092434692
Energy: 0.9776971345615109
Energy: 0.9516375092447543
Energy: 0.964437865449752
Energy: 0.9369515970012345
Energy: 0.9644378654501804
Energy: 0.9369515970008061
Energy: 0.9644378654510372
Energy: 0.9369515970008061
Energy: 1.078286881965974
Energy: 0.9325760074105913
Energy: 1.078286881968116
Energy: 0.9325760074105913
Energy: 1.0782868819676874
Energy: 0.9325760074101631
Energy: 0.8829723613071426
Energy: 0.9269948540674414
Energy: 0.8829723613079994
Energy: 0.9278360444533379
Energy: 0.8829723613084278
Energy: 0.9288572392477695
Energy: 0.9620220893575028
Energy: 1.0810986870774622
Energy: 0.962022089357931
Energy: 1.0400179445558693
Energy: 0.9620220893570743
Energy: 1.0400179445550124
Energy: 1.0004430586151893
Energy: 1.0123430522588108
Energy: 1.000443058614761
Energy: 1.0123430522579542
Energy: 1.0004430586164745
Energy: 1.0123430522583825
Energy: 1.066911877963905
Energy: 1.0687824137018427
Energy: 1.0669118779634765
Energy: 1.0687824136984156
Energy: 1.0669118779634765
Energy: 1.0687824137018427
Energy: 0.9624331795004114
Energy: 0.9596486880196841
Energy: 0.9624331794974129
Energy: 0.9596486880201123
Energy: 0.9624331794995548
Energy: 0.9596486880192556
Energy: 1.020686275791762
Energy: 0.9343896411806764
Energy: 1.0206862757913338
Energy: 0.9343896411806764
Energy: 1.0206862757913338
Energy: 0.9343896411811048
Energy: 0.9580121566792124
Energy: 0.9113963553987585
Energy: 0.9580121566920634
Energy: 0.9113963553996155
Energy: 0.9580121566886365
Energy: 0.9113963553987585
Energy: 0.9878510953415338
Energy: 1.0283855925046708
Energy: 0.987851095342819
Energy: 1.0283855925038141
Energy: 0.9878510953436757
Energy: 1.0283855925038141
Energy: 1.0189895311021593
Energy: 1.0247805303619881
Energy: 1.0189895311025876
Energy: 1.0247805303619881
Energy: 1.0189895310974473
Energy: 1.0247805303619881
Energy: 0.9822653751452509
Energy: 0.93338428925817
Energy: 0.9822653751461076
Energy: 0.93338428925817
Energy: 0.9822653751486778
Energy: 0.9333842892585984
Energy: 1.0618990166280398
Energy: 0.9497815140825058
Energy: 1.0618990166280398
Energy: 0.9497815140825058
Energy: 1.0618990166280398
Energy: 0.9497815140825058
Energy: 0.9820126286092375
Energy: 0.9185531019869332
Energy: 0.9820126286105227
Energy: 0.9185531019817927
Energy: 0.982012628609666
Energy: 0.918553101980936
Energy: 1.0188647388487464
Energy: 1.0247349862089876
Energy: 1.01886473885046
Energy: 1.0247349862089876
Energy: 1.018864738851745
Energy: 1.0247349862089876
Energy: 0.9875446171741655
Energy: 1.032112886113783
Energy: 0.987544617173309
Energy: 1.032112886113783
Energy: 0.9875446171737372
Energy: 1.0321128861150681
Energy: 0.9579219718036189
Energy: 0.9116177673377837
Energy: 0.9579219718010487
Energy: 0.911617767338212
Energy: 0.9579219718057607
Energy: 0.911617767338212

minimum gb energy = 0.8678254074351947 eV
minimum distance =  2.30088971519736 Angstroms
sigma value = 57


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

Energy: 0.9799488304210554
Energy: 0.881131295556513
Energy: 0.9799488304189629
Energy: 0.881131295556513
Energy: 0.979948830421753
Energy: 0.881131295556513
Energy: 0.8997320317021746
Energy: 0.8673665592097615
Energy: 0.8997320317028722
Energy: 0.8673665592097615
Energy: 0.8997320317014772
Energy: 0.8673665592097615
Energy: 0.9610093907052119
Energy: 0.950416783607576
Energy: 0.9610093907003293
Energy: 0.950416783607576
Energy: 0.9610093907066068
Energy: 0.950416783607576
Energy: 0.9241499972312892
Energy: 0.979747726048387
Energy: 0.9241499972312892
Energy: 0.979747726048387
Energy: 0.9241499972319868
Energy: 0.9797477260490844
Energy: 0.8822483688538304
Energy: 0.8572309192420557
Energy: 0.8822483688468556
Energy: 0.8572309192413583
Energy: 0.882248368851738
Energy: 0.8572309192420557
Energy: 0.9744258032821218
Energy: 0.8651989399547548
Energy: 0.9744258032821218
Energy: 0.8651989399540574
Energy: 0.9744258032814244
Energy: 0.8651989399540574
Energy: 0.8282613721260386
Energy: 0.9357674057615324
Energy: 0.828261372125341
Energy: 0.9357674057615324
Energy: 0.828261372125341
Energy: 0.9357674057608348
Energy: 1.0017407968373844
Energy: 0.9014511238112869
Energy: 1.0017407968380818
Energy: 0.9014511238196568
Energy: 1.0017407968373844
Energy: 0.9014511238119843
Energy: 0.8789220063478461
Energy: 0.8679770105158295
Energy: 0.8789220063478461
Energy: 0.8679770105158295
Energy: 0.8789220063478461
Energy: 0.8679770105165271
Energy: 0.8868048295389706
Energy: 0.8916003879917196
Energy: 0.8868048295382731
Energy: 0.8916003879917196
Energy: 0.8868048295396681
Energy: 0.891600387991022
Energy: 0.8249386691772465
Energy: 1.0019472803075167
Energy: 0.8249386691772465
Energy: 1.0019472803068192
Energy: 0.8249386691772465
Energy: 1.0019472803047267
Energy: 0.924659069875364
Energy: 0.916809628066384
Energy: 0.924659069875364
Energy: 0.916809628066384
Energy: 0.924659069873969
Energy: 0.9168096280670812
Energy: 0.8851991027122993
Energy: 0.9796219305787951
Energy: 0.8851991027116017
Energy: 0.9796219305808874
Energy: 0.8851991027116017
Energy: 0.9796219305808874
Energy: 0.8847219493496029
Energy: 0.9087595642182398
Energy: 0.8847219493468129
Energy: 0.9087595642189373
Energy: 0.8847219493489055
Energy: 0.9087595642175422
Energy: 0.9973272445998189
Energy: 0.9289516288625294
Energy: 0.9973272446005164
Energy: 0.9289516288625294
Energy: 0.9973272446005164
Energy: 0.9289516288625294
Energy: 0.978480713216922
Energy: 1.0043745902612862
Energy: 0.9784807132176194
Energy: 1.0043745902612862
Energy: 0.9784807132176194
Energy: 1.0043745902612862
Energy: 0.9092955013607821
Energy: 1.0077066047511416
Energy: 0.9092955013614794
Energy: 1.0077066047504442
Energy: 0.9092955013614794
Energy: 1.0077066047511416
Energy: 0.9542002531422784
Energy: 0.965562299472726
Energy: 0.9542002531429759
Energy: 0.965562299472726
Energy: 0.9542002531408834
Energy: 0.965562299472726
Energy: 0.8400544786957327
Energy: 0.9436827695259934
Energy: 0.8400544786950352
Energy: 0.9436827695294808
Energy: 0.8400544786929427
Energy: 0.9436827695287834
Energy: 0.8417297894285217
Energy: 0.9817374912634943
Energy: 0.8417297894299165
Energy: 0.9817374912634943
Energy: 0.8417297894285217
Energy: 0.981737491262797
Energy: 0.9470085323350431
Energy: 0.9377442538931776
Energy: 0.9470085323322531
Energy: 0.9377442538924801
Energy: 0.9470085323322531
Energy: 0.9377442538931776
Energy: 0.8275545862414987
Energy: 0.9437954563493768
Energy: 0.8275545862428936
Energy: 0.9437954563493768
Energy: 0.8275545862394064
Energy: 0.9437954563500743
Energy: 0.9062162677581582
Energy: 0.9190513167225369
Energy: 0.9062162677581582
Energy: 0.9190513167225369
Energy: 0.9062162677595533
Energy: 0.9190513167225369
Energy: 0.9063292484519141
Energy: 1.1700906325561176
Energy: 0.9063292484540066
Energy: 1.1700906325554203
Energy: 0.9063292484526116
Energy: 1.1700906325554203
Energy: 0.9074890622433138
Energy: 0.9595489781887403
Energy: 0.9074890622433138
Energy: 0.9595489781887403
Energy: 0.9074890622454063
Energy: 0.9595489781887403
Energy: 0.8821077327516188
Energy: 0.9195559897911492
Energy: 0.8821077327530138
Energy: 0.9195559897904516
Energy: 0.8821077327530138
Energy: 0.9195559897911492
Energy: 0.8265730288919544
Energy: 0.9431583330387905
Energy: 0.8265730288933494
Energy: 0.943158333038093
Energy: 0.8265730288912568
Energy: 0.9431583330373955

minimum gb energy = 0.8249386691772465 eV
minimum distance =  2.27122382108644 Angstroms
sigma value = 43


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

Energy: 0.973972561031618
Energy: 0.8043936027479377
Energy: 0.9739725610300933
Energy: 0.8043936027474295
Energy: 0.973972561031618
Energy: 0.8043936027479377
Energy: 0.8860672475711875
Energy: 0.8122767433397918
Energy: 0.8860672475722039
Energy: 0.8122767433392837
Energy: 0.8860672475706793
Energy: 0.8122767433403001
Energy: 0.9529514999455201
Energy: 0.8791098151992017
Energy: 0.9529514999455201
Energy: 0.8791098152007262
Energy: 0.952951499945012
Energy: 0.879109815200218
Energy: 0.9128280326809743
Energy: 0.8507630139704048
Energy: 0.9128280326809743
Energy: 0.8507630139704048
Energy: 0.9128280326809743
Energy: 0.8507630139698964
Energy: 0.7855133303405389
Energy: 0.7746259576760179
Energy: 0.7855133303385061
Energy: 0.7746259576760179
Energy: 0.785513330337998
Energy: 0.7746259576760179
Energy: 0.8614484762457825
Energy: 0.786492203033982
Energy: 0.8614484762452742
Energy: 0.786492203033982
Energy: 0.8614484762447662
Energy: 0.7864922030349984
Energy: 0.7948176176399436
Energy: 0.828467649901942
Energy: 0.7948176176404518
Energy: 0.8284676499014338
Energy: 0.7948176176404518
Energy: 0.8284676498999094
Energy: 1.0652844407061264
Energy: 0.7639988371094765
Energy: 1.0652844407061264
Energy: 0.7639988371094765
Energy: 1.065284440707651
Energy: 0.7639988371099846
Energy: 0.8053596029257678
Energy: 0.7769670873793472
Energy: 0.8053596029257678
Energy: 0.7769670873798553
Energy: 0.8053596029252594
Energy: 0.7769670873793472
Energy: 0.7944091766029173
Energy: 0.7806290510523978
Energy: 0.79440917659936
Energy: 0.7806290510529059
Energy: 0.7944091766003764
Energy: 0.7806290510523978
Energy: 0.8850675548898549
Energy: 0.8569363236837518
Energy: 0.8850675548898549
Energy: 0.8569363236837518
Energy: 0.8850675548898549
Energy: 0.8569363236837518
Energy: 0.7499577791341696
Energy: 0.7757186524121826
Energy: 0.7499577791341696
Energy: 0.7757186524121826
Energy: 0.749957779135186
Energy: 0.775718652412691
Energy: 0.7943289097565999
Energy: 0.7420360139123368
Energy: 0.7943289097565999
Energy: 0.7420360139128448
Energy: 0.7943289097586328
Energy: 0.7420360139128448
Energy: 0.8844143059520914
Energy: 0.8577274645487605
Energy: 0.8844143059515831
Energy: 0.8577274645482522
Energy: 0.8844143059520914
Energy: 0.8577274645492687
Energy: 0.7799682251538662
Energy: 0.775260026202316
Energy: 0.7799682251533581
Energy: 0.7752600262018078
Energy: 0.7799682251528499
Energy: 0.775260026202316
Energy: 0.8186612588219141
Energy: 0.8311073687806312
Energy: 0.8186612588219141
Energy: 0.8311073687801231
Energy: 0.8186612588219141
Energy: 0.8311073687801231
Energy: 0.7962924356869138
Energy: 0.8535879976280107
Energy: 0.7962924356864056
Energy: 0.8535879976280107
Energy: 0.7962924356864056
Energy: 0.8535879976285191
Energy: 0.811274884669067
Energy: 0.7757070629766007
Energy: 0.8112748846685589
Energy: 0.775707062977109
Energy: 0.8112748846695752
Energy: 0.7757070629776172
Energy: 0.7448292646271655
Energy: 0.8795729535454541
Energy: 0.7448292646271655
Energy: 0.8795729535454541
Energy: 0.7448292646276736
Energy: 0.8795729535459623
Energy: 0.8194632979910429
Energy: 0.8583185981743773
Energy: 0.8194632979813872
Energy: 0.8583185981723445
Energy: 0.8194632979879938
Energy: 0.8583185981748854
Energy: 0.8727099085895142
Energy: 0.8119483058005139
Energy: 0.872709908589006
Energy: 0.8119483058010221
Energy: 0.8727099085895142
Energy: 0.8119483057994975
Energy: 0.8097604516026617
Energy: 0.8034299251432725
Energy: 0.8097604516026617
Energy: 0.8034299251458135
Energy: 0.8097604516036779
Energy: 0.8034299251427643
Energy: 0.9102071007543175
Energy: 0.8780711991163249
Energy: 0.9102071007543175
Energy: 0.8780711991168331
Energy: 0.9102071007533012
Energy: 0.8780711991168331
Energy: 0.8317595876042139
Energy: 0.9197117205248836
Energy: 0.8317595876037057
Energy: 0.9197117205248836
Energy: 0.8317595876037057
Energy: 0.9197117205253916
Energy: 0.8305095520220959
Energy: 0.7618632940776209
Energy: 0.8305095520210795
Energy: 0.7618632940776209
Energy: 0.8305095520215877
Energy: 0.7618632940776209
Energy: 0.7695382337473138
Energy: 0.8504929227458654
Energy: 0.7695382337468055
Energy: 0.8504929227463737
Energy: 0.7695382337468055
Energy: 0.8504929227468817
Energy: 0.8351821346194489
Energy: 0.8699795517585077
Energy: 0.8351821346174161
Energy: 0.8699795517585077
Energy: 0.8351821346184325
Energy: 0.8699795517579996
Energy: 0.7885370686087495
Energy: 0.7581987643240624
Energy: 0.7885370686087495
Energy: 0.7581987643245706
Energy: 0.7885370686087495
Energy: 0.7581987643245706
Energy: 0.7684046453116758
Energy: 0.8050712264489753
Energy: 0.7684046453111677
Energy: 0.8050712264494836
Energy: 0.7684046453111677
Energy: 0.8050712264489753
Energy: 0.7763623180281196
Energy: 0.8452945581936583
Energy: 0.7763623180281196
Energy: 0.8452945581936583
Energy: 0.7763623180286278
Energy: 0.8452945581936583
Energy: 0.7623186144293496
Energy: 1.0670873236221712
Energy: 0.762318614427825
Energy: 1.0670873236221712
Energy: 0.7623186144283332
Energy: 1.0670873236226794
Energy: 0.768921889097077
Energy: 0.769075442200606
Energy: 0.768921889097077
Energy: 0.7690754422000978
Energy: 0.7689218890975853
Energy: 0.769075442200606
Energy: 0.7486618098171415
Energy: 0.7624272484927225
Energy: 0.7486618098181578
Energy: 0.7624272484937388
Energy: 0.7486618098181578
Energy: 0.7624272484932306
Energy: 0.8880291508563203
Energy: 0.9640906581884225
Energy: 0.8880291508563203
Energy: 0.9640906581884225
Energy: 0.8880291508568284
Energy: 0.9640906581894387
Energy: 0.7988794648085844
Energy: 0.7444666064725869
Energy: 0.7988794648085844
Energy: 0.7444666064725869
Energy: 0.7988794648085844
Energy: 0.7444666064715704
Energy: 0.6937404454732259
Energy: 0.7622468716146191
Energy: 0.6937404454742423
Energy: 0.762246871614111
Energy: 0.6937404454752587
Energy: 0.7622468716130946

minimum gb energy = 0.6937404454732259 eV
minimum distance =  2.27183137248974 Angstroms
sigma value = 81


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

Energy: 0.08666129408272613
Energy: 0.13698343891660772
Energy: 0.08666129408272613
Energy: 0.13698343891660772
Energy: 0.08666129408272613
Energy: 0.13698343891660772
Energy: 0.884978248247615
Energy: 0.0878443368035492
Energy: 0.8849782482457478
Energy: 0.08784433680168198
Energy: 0.8849782482457478
Energy: 0.08784433680168198
Energy: 0.8849900369000366
Energy: 0.08745940950294329
Energy: 0.8849900369000366
Energy: 0.0874594095066777
Energy: 0.8849900369019038
Energy: 0.0874594095066777
Energy: 0.08666129408459333
Energy: 0.13698343891660772
Energy: 0.08666129408459333
Energy: 0.13698343891660772
Energy: 0.08666129408459333
Energy: 0.13698343891660772
Energy: 0.8849782482457478
Energy: 0.08784433679608036
Energy: 0.8849782482457478
Energy: 0.08784433679608036
Energy: 0.8849782482457478
Energy: 0.08784433679794756
Energy: 0.8849900369019038
Energy: 0.08745940951227932
Energy: 0.8849900369000366
Energy: 0.0874594095085449
Energy: 0.8849900369019038
Energy: 0.08745940951227932
Energy: 0.08666129408459333
Energy: 0.13698343891660772
Energy: 0.08666129408459333
Energy: 0.13698343891660772
Energy: 0.08666129408459333
Energy: 0.13698343891660772
Energy: 0.8849782482457478
Energy: 0.08784433679234595
Energy: 0.8849782482457478
Energy: 0.08784433679608036
Energy: 0.8849782482457478
Energy: 0.08784433679608036
Energy: 0.8849900369000366
Energy: 0.0874594095048105
Energy: 0.8849900369000366
Energy: 0.0874594095066777
Energy: 0.8849900369000366
Energy: 0.0874594095048105
Energy: 0.08666129408459333
Energy: 0.13698343891660772
Energy: 0.08666129408459333
Energy: 0.13698343891660772
Energy: 0.08666129408272613
Energy: 0.13698343891660772

minimum gb energy = 0.08666129408272613 eV
minimum distance =  2.46550772497143 Angstroms
sigma value = 3


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

Energy: 0.9374457440101601
Energy: 0.7748626150554863
Energy: 0.9374457440096012
Energy: 0.7748626150554863
Energy: 0.9374457440096012
Energy: 0.7748626150554863
Energy: 0.7823552439951914
Energy: 0.8050401139991707
Energy: 0.7823552439940739
Energy: 0.805040113998612
Energy: 0.7823552439951914
Energy: 0.8050401140014057
Energy: 0.8135968790063682
Energy: 0.805458982106431
Energy: 0.8135968790063682
Energy: 0.8054589821053135
Energy: 0.813596879006927
Energy: 0.8054589821109011
Energy: 0.881105914691234
Energy: 0.7945987636787651
Energy: 0.8811059146917929
Energy: 0.7945987636793239
Energy: 0.8811059146917929
Energy: 0.7945987636793239
Energy: 0.6669916393258383
Energy: 0.7857605837124492
Energy: 0.666991639326397
Energy: 0.7857605837141255
Energy: 0.666991639326397
Energy: 0.7857605837197131
Energy: 0.8207139270326377
Energy: 0.8628629353000034
Energy: 0.8207139270326377
Energy: 0.8628629353000034
Energy: 0.8207139270320791
Energy: 0.8628629353000034
Energy: 0.8343981600706813
Energy: 0.8779775028539157
Energy: 0.83439816007124
Energy: 0.8779775028539157
Energy: 0.8343981600690049
Energy: 0.8779775028544746
Energy: 0.6625037301084975
Energy: 0.7854411313146007
Energy: 0.6625037301090563
Energy: 0.785441131316277
Energy: 0.6625037301101738
Energy: 0.785441131316277
Energy: 0.8348672573247725
Energy: 0.8407783161218174
Energy: 0.8348672573236551
Energy: 0.8407783161201413
Energy: 0.834867257324214
Energy: 0.8407783161195824
Energy: 0.7603138430804689
Energy: 0.8184892845616271
Energy: 0.7603138430821452
Energy: 0.8184892845616271
Energy: 0.7603138430821452
Energy: 0.8184892845627446
Energy: 0.718372025008139
Energy: 0.7881233539779041
Energy: 0.7183720250070215
Energy: 0.7881233539767867
Energy: 0.718372025005904
Energy: 0.7881233539784629
Energy: 0.8636474204438617
Energy: 0.8709222931896372
Energy: 0.8636474204433028
Energy: 0.8709222931885197
Energy: 0.8636474204421852
Energy: 0.8709222931901959
Energy: 0.7943349207799048
Energy: 0.7999622095650145
Energy: 0.7943349207838161
Energy: 0.7999622095650145
Energy: 0.7943349207821397
Energy: 0.7999622095650145
Energy: 0.7364595840476926
Energy: 0.8472827619897647
Energy: 0.7364595840499278
Energy: 0.8472827619892059
Energy: 0.7364595840471339
Energy: 0.8472827619897647
Energy: 0.8800194429942501
Energy: 0.8382616674587936
Energy: 0.8800194429942501
Energy: 0.8382616674582347
Energy: 0.8800194429936914
Energy: 0.8382616674593523
Energy: 0.7680075171941689
Energy: 0.6623018977315779
Energy: 0.7680075171969627
Energy: 0.6623018977315779
Energy: 0.7680075171947277
Energy: 0.6623018977321367
Energy: 0.7883434997805036
Energy: 0.8710934670974186
Energy: 0.7883434997805036
Energy: 0.8710934670979774
Energy: 0.7883434997810622
Energy: 0.8710934670974186
Energy: 0.8241314321410556
Energy: 0.8099324127984147
Energy: 0.8241314321410556
Energy: 0.8099324127978558
Energy: 0.8241314321399378
Energy: 0.8099324127989733
Energy: 0.8246505287350945
Energy: 0.8998974340172137
Energy: 0.8246505287334183
Energy: 0.8998974340172137
Energy: 0.8246505287306244
Energy: 0.8998974340177723
Energy: 0.7721325249584121
Energy: 0.9189463235267052
Energy: 0.7721325249584121
Energy: 0.9189463235250288
Energy: 0.7721325249584121
Energy: 0.91894632352447
Energy: 0.8613000908858698
Energy: 0.7872772708950465
Energy: 0.8613000908869873
Energy: 0.7872772708944878
Energy: 0.8613000908864287
Energy: 0.7872772708939291
Energy: 0.8473200588347806
Energy: 0.7876535114101466
Energy: 0.847320059129149
Energy: 0.7876535114107053
Energy: 0.8473200590185639
Energy: 0.7876535114118228
Energy: 0.7973532230844554
Energy: 0.8968793922374351
Energy: 0.7973532230889254
Energy: 0.8968793922413465
Energy: 0.7973532230872492
Energy: 0.8968793922413465
Energy: 0.8153519985140045
Energy: 0.7852862576110388
Energy: 0.8153519985117692
Energy: 0.7852862576110388
Energy: 0.8153519985173571
Energy: 0.7852862576110388
Energy: 0.8770584811294423
Energy: 0.8180485373164573
Energy: 0.8770584811305598
Energy: 0.8180485373192512
Energy: 0.8770584811300012
Energy: 0.8180485373175749
Energy: 0.7599610865287368
Energy: 0.857000901954894
Energy: 0.7599610865225903
Energy: 0.8570009019476299
Energy: 0.7599610865225903
Energy: 0.8570009019448362
Energy: 0.9172759687157364
Energy: 0.6725321469092032
Energy: 0.9172759687146698
Energy: 0.6725321469097619
Energy: 0.9172759687151777
Energy: 0.6725321469097619
Energy: 0.8345893207218891
Energy: 0.8342821076997581
Energy: 0.834589320724683
Energy: 0.834282107700317
Energy: 0.8345893207213304
Energy: 0.834282107700317
Energy: 0.7348558320203724
Energy: 0.7850465586907488
Energy: 0.7348558320198136
Energy: 0.7850465586868374
Energy: 0.7348558320192549
Energy: 0.7850465586868374
Energy: 0.9115664250027945
Energy: 0.7342483373643643
Energy: 0.9115664250022356
Energy: 0.7342483373515126
Energy: 0.9115664250027945
Energy: 0.7342483373638056
Energy: 0.8616511301854094
Energy: 0.8272171769783867
Energy: 0.861651130186527
Energy: 0.8272171769778278
Energy: 0.8616511301859682
Energy: 0.8272171769706148
Energy: 0.8158041270275846
Energy: 0.774048770941474
Energy: 0.8158041270287022
Energy: 0.7740487709375625
Energy: 0.8158041270275846
Energy: 0.774048770941474
Energy: 0.8376812422161019
Energy: 0.8846624734625198
Energy: 0.8376812422166605
Energy: 0.8846624734625198
Energy: 0.8376812422161019
Energy: 0.8846624734630787

minimum gb energy = 0.6623018977315779 eV
minimum distance =  2.33282596855004 Angstroms
sigma value = 67


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

Energy: 1.0863788770055605
Energy: 0.9496903411875639
Energy: 1.0863788770039682
Energy: 0.9496903411875639
Energy: 1.0863788770039682
Energy: 0.9496903411875639
Energy: 0.9475567982448654
Energy: 0.9730688615536663
Energy: 0.9475567982440694
Energy: 0.9730688615528702
Energy: 0.9475567982448654
Energy: 0.9730688615528702
Energy: 1.015303034689463
Energy: 0.98416681909423
Energy: 1.0153030346902592
Energy: 0.9841668190918416
Energy: 1.015303034689463
Energy: 0.9841668190910454
Energy: 1.039398996418307
Energy: 0.9340124770776674
Energy: 1.0393989964198993
Energy: 0.9340124770784635
Energy: 1.039398996418307
Energy: 0.9340124770744826
Energy: 0.827221296257802
Energy: 0.9278338958050604
Energy: 0.8272212962585984
Energy: 0.9278338958066528
Energy: 0.827221296257802
Energy: 0.9278338958050604
Energy: 1.0163897934707398
Energy: 1.0166734950136367
Energy: 1.0163897934707398
Energy: 1.016673495015229
Energy: 1.0163897934715356
Energy: 1.016673495015229
Energy: 0.9402685105129643
Energy: 1.037472442784513
Energy: 0.9402685105129643
Energy: 1.03747244278929
Energy: 0.9402685105137604
Energy: 1.0374724427829929
Energy: 0.9133704784886297
Energy: 0.9172380411778394
Energy: 0.9133704717853792
Energy: 0.9172380411762471
Energy: 0.9133704719135641
Energy: 0.9172380411762471
Energy: 1.0764547825490176
Energy: 1.0672615105481427
Energy: 1.0764547825490176
Energy: 1.0672615105481427
Energy: 1.0764547825490176
Energy: 1.0672615105465506
Energy: 0.9389599411174852
Energy: 1.0151779295219086
Energy: 0.9389599411174852
Energy: 1.0151779295227048
Energy: 0.9389599411190774
Energy: 1.0151779295211127
Energy: 1.0433207486794749
Energy: 1.0161854614057313
Energy: 1.0433207486786786
Energy: 1.0161854614057313
Energy: 1.0433207486786786
Energy: 1.0161854614065278
Energy: 0.9461732670002453
Energy: 0.9991086945390667
Energy: 0.9461732669978568
Energy: 0.9991086945398628
Energy: 0.946173266999449
Energy: 0.9991086945390667
Energy: 0.9450603739440221
Energy: 0.9332935927436483
Energy: 0.9450603739448182
Energy: 0.9332935927436483
Energy: 0.9450603739440221
Energy: 0.9332935927444447
Energy: 0.9317097729009371
Energy: 1.0437131978627354
Energy: 0.9317097729009371
Energy: 1.043713197864328
Energy: 0.9317097728993449
Energy: 1.0437131978635317
Energy: 0.9560407094326338
Energy: 0.9433999882285192
Energy: 0.9560407094310415
Energy: 0.9433999882285192
Energy: 0.9560407094326338
Energy: 0.9433999882293154
Energy: 0.9727111630834215
Energy: 0.9676398650695506
Energy: 0.9727111630818293
Energy: 0.9676398650687544
Energy: 0.9727111630850138
Energy: 0.9676398650679581
Energy: 0.9709360604975424
Energy: 1.0340997889003278
Energy: 0.9709360604983386
Energy: 1.0340997889003278
Energy: 0.9709360604967462
Energy: 1.0340997889003278
Energy: 0.9818804534037017
Energy: 0.9263727215653049
Energy: 0.9818804534029055
Energy: 0.9263727215661012
Energy: 0.981880453401313
Energy: 0.9263727215653049
Energy: 1.0098494835782268
Energy: 1.0203976909521097
Energy: 1.0098494835790228
Energy: 1.0203976909544985
Energy: 1.0098494835790228
Energy: 1.020397690952906
Energy: 1.0792323068627365
Energy: 0.9274534020811209
Energy: 1.0792323068635328
Energy: 0.9274534020803247
Energy: 1.0792323068627365
Energy: 0.9274534020803247
Energy: 1.1158824686108115
Energy: 0.9397633048644723
Energy: 1.115882468610015
Energy: 0.9397633048644723
Energy: 1.115882468610015
Energy: 0.939763304863676
Energy: 1.0450284083290486
Energy: 1.1079321844260799
Energy: 1.0450284083290486
Energy: 1.107932184426876
Energy: 1.0450284083298447
Energy: 1.1079321844260799
Energy: 0.9875470078516777
Energy: 0.9282780123412937
Energy: 0.9875470078516777
Energy: 0.9282780123404976
Energy: 0.9875470078516777
Energy: 0.9282780123412937

minimum gb energy = 0.827221296257802 eV
minimum distance =  2.33092063716621 Angstroms
sigma value = 33


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

Energy: 1.1928171928058828
Energy: 1.0157380749133358
Energy: 1.1928171928058828
Energy: 1.0157380749133358
Energy: 1.1928171928058828
Energy: 1.0157380749133358
Energy: 1.048372597987091
Energy: 1.0731792089502987
Energy: 1.0483725979855758
Energy: 1.073179208946763
Energy: 1.0483725979860807
Energy: 1.0731792089508039
Energy: 1.128076466323313
Energy: 1.0704631969875125
Energy: 1.128076466323818
Energy: 1.070463196996053
Energy: 1.1280764663228078
Energy: 1.0704631969920122
Energy: 1.1458023415922525
Energy: 1.0539784347288852
Energy: 1.1458023415922525
Energy: 1.05397843472838
Energy: 1.1458023415927576
Energy: 1.0539784347288852
Energy: 1.0598296321563496
Energy: 1.0722925507627137
Energy: 1.0598296321553395
Energy: 1.0722925507632186
Energy: 1.0598296321553395
Energy: 1.0722925507632186
Energy: 1.2266073766570147
Energy: 1.200633573424143
Energy: 1.2266073766580248
Energy: 1.200633573424648
Energy: 1.2266073766590349
Energy: 1.2006335734236377
Energy: 1.0472038719350352
Energy: 1.0122272383229076
Energy: 1.0472038719365506
Energy: 1.0122272383229076
Energy: 1.0472038719350352
Energy: 1.0122272383213924
Energy: 1.1415146716288151
Energy: 1.1367356418983732
Energy: 1.1415146716313407
Energy: 1.1367356418978682
Energy: 1.1415146716288151
Energy: 1.1367356418978682
Energy: 1.0601100605100822
Energy: 1.1363763066107784
Energy: 1.0601100605105873
Energy: 1.1363763066107784
Energy: 1.0601100605100822
Energy: 1.1363763066107784
Energy: 1.1109413256190328
Energy: 1.046900776148322
Energy: 1.110941325620548
Energy: 1.0469007761488272
Energy: 1.110941325620043
Energy: 1.046900776148322
Energy: 1.0829878107168702
Energy: 1.1342208199047308
Energy: 1.082987810710809
Energy: 1.1342208199042256
Energy: 1.0829878107118194
Energy: 1.1342208199047308
Energy: 1.0476856939826886
Energy: 1.0585066497968227
Energy: 1.0476856939816785
Energy: 1.0585066497963176
Energy: 1.0476856939811734
Energy: 1.0585066497968227
Energy: 1.1946977414378566
Energy: 1.0207887172811434
Energy: 1.194697741434826
Energy: 1.0207887172816483
Energy: 1.1946977414363416
Energy: 1.0207887172811434
Energy: 1.065276020126799
Energy: 1.138084656761376
Energy: 1.0652760201283142
Energy: 1.138084656761376
Energy: 1.0652760201273042
Energy: 1.138084656761376
Energy: 1.090845844177803
Energy: 1.0760159577147217
Energy: 1.090845844177803
Energy: 1.0760159577147217
Energy: 1.0908458441772981
Energy: 1.0760159577147217
Energy: 1.1455374970969667
Energy: 1.176316481391788
Energy: 1.1455374970964618
Energy: 1.176316481391788
Energy: 1.1455374970974719
Energy: 1.176316481392798
Energy: 1.1696131606728393
Energy: 1.0539566492567565
Energy: 1.1696131606728393
Energy: 1.053956649258272
Energy: 1.1696131606728393
Energy: 1.0539566492567565
Energy: 1.162255565663376
Energy: 1.1568866341052777
Energy: 1.1622555656648914
Energy: 1.156886634100732
Energy: 1.1622555656643863
Energy: 1.156886634107252
Energy: 1.0452626454398217
Energy: 1.157698664922789
Energy: 1.0452626454403267
Energy: 1.1576986649217786
Energy: 1.0452626454398217
Energy: 1.1576986649157177
Energy: 1.1985821678657924
Energy: 1.0743301297536199
Energy: 1.1985821678673076
Energy: 1.074330129754125
Energy: 1.1985821678657924
Energy: 1.0743301297536199
Energy: 1.1409609531607396
Energy: 1.1438205746878376
Energy: 1.1409609531592244
Energy: 1.1438205746878376
Energy: 1.1409609531627598
Energy: 1.1438205746868275
Energy: 1.0874393612390516
Energy: 1.0372090912948346
Energy: 1.0874393612365263
Energy: 1.0372090912953396
Energy: 1.0874393612390516
Energy: 1.0372090912948346
Energy: 1.076313935254418
Energy: 1.134344723366959
Energy: 1.076313935255428
Energy: 1.134344723366959
Energy: 1.0763139352529025
Energy: 1.134344723366959
Energy: 1.1406431518848934
Energy: 1.057538653459347
Energy: 1.1406431518859035
Energy: 1.0575386534588416
Energy: 1.140643151886914
Energy: 1.0575386534588416
Energy: 1.0477407987398506
Energy: 1.0585513491249596
Energy: 1.0477407987388405
Energy: 1.0585513491249596
Energy: 1.0477407987398506
Energy: 1.0585513491249596
Energy: 1.095035236372458
Energy: 1.1410834098073723
Energy: 1.0950352363734681
Energy: 1.1410834098078773
Energy: 1.0950352363729632
Energy: 1.1410834098073723
Energy: 1.0472814345950017
Energy: 1.0359726433539382
Energy: 1.0472814345955066
Energy: 1.0359726433539382
Energy: 1.0472814345950017
Energy: 1.0359726433539382
Energy: 1.1602359783442533
Energy: 1.189997189140903
Energy: 1.1602359783432432
Energy: 1.2015496407227098
Energy: 1.1602359783442533
Energy: 1.2015496407222046
Energy: 1.2011583307514078
Energy: 1.0746385948867831
Energy: 1.2011583307503977
Energy: 1.0746385948867831
Energy: 1.2011583307498925
Energy: 1.0746385948872883
Energy: 1.045430518918315
Energy: 1.0090618159076465
Energy: 1.0454305189188202
Energy: 1.0090618159046159
Energy: 1.0454305189188202
Energy: 1.0090618159036058
Energy: 1.2165965063264546
Energy: 1.2196835711829703
Energy: 1.2165965063289796
Energy: 1.2196835711834755
Energy: 1.2165965063274646
Energy: 1.2196835711829703
Energy: 1.1762329236902869
Energy: 1.076333985069948
Energy: 1.1762329236892768
Energy: 1.076333985069948
Energy: 1.176232923689782
Energy: 1.076333985069948
Energy: 1.143504307311746
Energy: 1.1741449458293314
Energy: 1.1435043073112408
Energy: 1.1741449458288262
Energy: 1.143504307312756
Energy: 1.174144945828321
Energy: 1.0896077072381167
Energy: 1.0734727818190097
Energy: 1.0896077072376116
Energy: 1.0734727818190097
Energy: 1.0896077072371064
Energy: 1.0734727818200198
Energy: 1.058315198692497
Energy: 1.0703672286003019
Energy: 1.058315198692497
Energy: 1.070367228587675
Energy: 1.058315198692497
Energy: 1.070367228594746
Energy: 1.195933080093129
Energy: 1.0179586412247825
Energy: 1.195933080092624
Energy: 1.0179586412247825
Energy: 1.195933080092624
Energy: 1.0179586412247825
Energy: 1.0519767626898109
Energy: 1.0750889873921672
Energy: 1.0519767626903158
Energy: 1.0750889873921672
Energy: 1.0519767626903158
Energy: 1.0750889873916623

minimum gb energy = 1.0090618159036058 eV
minimum distance =  2.27253225717087 Angstroms
sigma value = 41


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

Energy: 1.316729477313429
Energy: 1.2061643141993477
Energy: 1.3167294773148084
Energy: 1.2061643141993477
Energy: 1.316729477313429
Energy: 1.2061643141993477
Energy: 1.1984774420371518
Energy: 1.2490368382609056
Energy: 1.198477442035773
Energy: 1.2490368382609056
Energy: 1.198477442035773
Energy: 1.2490368382609056
Energy: 1.3926569475599044
Energy: 1.3025615160489876
Energy: 1.3926569475599044
Energy: 1.3025615160476085
Energy: 1.3926569475612836
Energy: 1.3025615160476085
Energy: 1.2747939125608487
Energy: 1.3300869670585127
Energy: 1.2747939125608487
Energy: 1.3300869670585127
Energy: 1.2747939125608487
Energy: 1.3300869670585127
Energy: 1.3197243579943527
Energy: 1.2371930877180402
Energy: 1.3197243579943527
Energy: 1.2371930877180402
Energy: 1.3197243579943527
Energy: 1.2371930877180402
Energy: 1.3743636012122387
Energy: 1.3425163555516701
Energy: 1.3743636012122387
Energy: 1.3425163555516701
Energy: 1.3743636012136176
Energy: 1.3425163555502908
Energy: 1.2829115646230573
Energy: 1.189799445207537
Energy: 1.2829115646230573
Energy: 1.189799445207537
Energy: 1.2829115646230573
Energy: 1.1897994452061582
Energy: 1.2767974731940062
Energy: 1.2778090583008317
Energy: 1.2767974731940062
Energy: 1.2778090583008317
Energy: 1.2767974731940062
Energy: 1.2778090583008317
Energy: 1.2028760140725585
Energy: 1.2053088336939832
Energy: 1.2028760140725585
Energy: 1.2053088336939832
Energy: 1.2028760140725585
Energy: 1.2053088336939832
Energy: 1.3383281165003977
Energy: 1.2112570933191382
Energy: 1.3383281165003977
Energy: 1.211257093317759
Energy: 1.3383281165003977
Energy: 1.2112570933191382
Energy: 1.2004821586344763
Energy: 1.286279077919239
Energy: 1.2004821586344763
Energy: 1.286279077919239
Energy: 1.2004821586344763
Energy: 1.286279077919239
Energy: 1.263870808781536
Energy: 1.248041018050191
Energy: 1.263870808781536
Energy: 1.248041018050191
Energy: 1.2638708087829151
Energy: 1.248041018050191
Energy: 1.3021837681130284
Energy: 1.329912122580071
Energy: 1.3021837681130284
Energy: 1.32991212258145
Energy: 1.3021837681130284
Energy: 1.329912122580071
Energy: 1.3171930436056603
Energy: 1.2498537824231046
Energy: 1.3171930436056603
Energy: 1.2498537824231046
Energy: 1.3171930436042811
Energy: 1.2498537824231046

minimum gb energy = 1.1897994452061582 eV
minimum distance =  2.23275149602374 Angstroms
sigma value = 11


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

Energy: 1.4612278407730561
Energy: 1.434916649763045
Energy: 1.461227840771239
Energy: 1.434916649763045
Energy: 1.461227840770633
Energy: 1.434916649763045
Energy: 1.321465404710486
Energy: 1.4168450790026546
Energy: 1.321465404710486
Energy: 1.4168450790026546
Energy: 1.3214654047110916
Energy: 1.4168450790026546
Energy: 1.4093785055885775
Energy: 1.408111897464821
Energy: 1.409378505592818
Energy: 1.408111897464821
Energy: 1.4093785055934238
Energy: 1.4081118974654263
Energy: 1.4054494087373786
Energy: 1.3509926214462633
Energy: 1.4054494087373786
Energy: 1.3509926214462633
Energy: 1.4054494087373786
Energy: 1.3509926214462633
Energy: 1.4423117767619218
Energy: 1.3837070878573432
Energy: 1.4423117767619218
Energy: 1.3837070878573432
Energy: 1.4423117767625275
Energy: 1.3837070878573432
Energy: 1.3654663882569216
Energy: 1.4208175102803091
Energy: 1.3654663882563156
Energy: 1.4208175102803091
Energy: 1.3654663882563156
Energy: 1.4208175102803091
Energy: 1.4031925606979865
Energy: 1.3991959489516914
Energy: 1.4031925606973807
Energy: 1.3991959489516914
Energy: 1.4031925606979865
Energy: 1.3991959489516914
Energy: 1.3817381159108848
Energy: 1.4042677966875632
Energy: 1.3817381159108848
Energy: 1.4042677966893806
Energy: 1.3817381159114908
Energy: 1.404267796688775
Energy: 1.4043367482082745
Energy: 1.3811422887879754
Energy: 1.4043367482082745
Energy: 1.3811422887873697
Energy: 1.4043367482082745
Energy: 1.3811422887879754
Energy: 1.3806621386597864
Energy: 1.4182530828392923
Energy: 1.3806621386597864
Energy: 1.4182530828392923
Energy: 1.3806621386597864
Energy: 1.4182530828392923
Energy: 1.3811908413394176
Energy: 1.4032215791224516
Energy: 1.3811908413394176
Energy: 1.4032215791224516
Energy: 1.3811908413400233
Energy: 1.4032215791224516
Energy: 1.4094451645871438
Energy: 1.4308487816141089
Energy: 1.4094451645871438
Energy: 1.4308487816135034
Energy: 1.4094451645871438
Energy: 1.4308487816141089
Energy: 1.4134207153197693
Energy: 1.374495988786196
Energy: 1.4134207153197693
Energy: 1.3744959887868018
Energy: 1.4134207153197693
Energy: 1.374495988786196
Energy: 1.377708909304894
Energy: 1.4371671917611704
Energy: 1.3777089093030765
Energy: 1.4371671917605646
Energy: 1.3777089093042882
Energy: 1.4371671917605646
Energy: 1.3583274491096797
Energy: 1.3733674161375136
Energy: 1.3583274491096797
Energy: 1.3733674161375136
Energy: 1.3583274491096797
Energy: 1.3733674161375136
Energy: 1.396746612170387
Energy: 1.3990633398373904
Energy: 1.3967466121697814
Energy: 1.3990633398373904
Energy: 1.3967466121697814
Energy: 1.3990633398373904
Energy: 1.340953226981642
Energy: 1.4129470674257394
Energy: 1.340953226981642
Energy: 1.412947067426345
Energy: 1.340953226981642
Energy: 1.4129470674257394
Energy: 1.4576652488004296
Energy: 1.4475017160653953
Energy: 1.4576652487992179
Energy: 1.4475016958769198
Energy: 1.4576652487998236
Energy: 1.4475016540866885
Energy: 1.3622721644884928
Energy: 1.330164656565707
Energy: 1.3622721644884928
Energy: 1.330164656566313
Energy: 1.3622721644890987
Energy: 1.330164656565707
Energy: 1.4112423882078342
Energy: 1.3854852413509324
Energy: 1.4112423882066227
Energy: 1.3854852413509324
Energy: 1.4112423882078342
Energy: 1.3854852413509324
Energy: 1.3321761221923354
Energy: 1.3584771300059404
Energy: 1.3321761221917294
Energy: 1.3584771300059404
Energy: 1.3321761221923354
Energy: 1.3584771300059404
Energy: 1.4819910807132397
Energy: 1.4333505234460073
Energy: 1.4819910807132397
Energy: 1.4333505234460073
Energy: 1.4819910807132397
Energy: 1.4333505234454016
Energy: 1.3849860293476508
Energy: 1.4086525095205218
Energy: 1.3849860293482565
Energy: 1.4086525095205218
Energy: 1.3849860293476508
Energy: 1.408652509519916
Energy: 1.445734768833405
Energy: 1.4163640844007923
Energy: 1.445734768833405
Energy: 1.4163640844007923
Energy: 1.445734768833405
Energy: 1.4163640844007923
Energy: 1.376345782229097
Energy: 1.3924968190651201
Energy: 1.3763457822297027
Energy: 1.3924968190651201
Energy: 1.376345782229097
Energy: 1.3924968190639087
Energy: 1.3779498497736435
Energy: 1.3884711212242853
Energy: 1.3779498497736435
Energy: 1.3884711212248908
Energy: 1.3779498497742493
Energy: 1.3884711212242853
Energy: 1.3637225797961523
Energy: 1.4404106767573488
Energy: 1.3637225797961523
Energy: 1.4404106767597722
Energy: 1.3637225797961523
Energy: 1.440410676760378
Energy: 1.424002348037215
Energy: 1.3567949387148335
Energy: 1.4240023480366095
Energy: 1.3567949387142277
Energy: 1.4240023480366095
Energy: 1.3567949387142277
Energy: 1.3791051250595514
Energy: 1.4495223038728235
Energy: 1.3791051250595514
Energy: 1.4495223038728235
Energy: 1.3791051250589454
Energy: 1.4495223038728235
Energy: 1.3608636031549581
Energy: 1.3141897029453213
Energy: 1.3608636031549581
Energy: 1.3141897029453213
Energy: 1.3608636031549581
Energy: 1.3141897029453213
Energy: 1.3881807713128922
Energy: 1.4468208119125519
Energy: 1.3881807713128922
Energy: 1.4468208119119461
Energy: 1.3881807713134982
Energy: 1.4468208119113404

minimum gb energy = 1.3141897029453213 eV
minimum distance =  2.20646351648361 Angstroms
sigma value = 57


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

Energy: 1.342742203007896
Energy: 1.3243175858616505
Energy: 1.342742203007896
Energy: 1.3243175858616505
Energy: 1.342742203007896
Energy: 1.3243175858616505
Energy: 1.4259670514593548
Energy: 1.3386687958320471
Energy: 1.4259670514604328
Energy: 1.3386687958320471
Energy: 1.4259670514593548
Energy: 1.3386687958320471
Energy: 1.4297901471093555
Energy: 1.3844274628763547
Energy: 1.4297901471093555
Energy: 1.3844274628763547
Energy: 1.4297901471093555
Energy: 1.3844274628763547
Energy: 1.3601951505042147
Energy: 1.3786306877946994
Energy: 1.3601951505031364
Energy: 1.3786306877957772
Energy: 1.3601951505031364
Energy: 1.3954930394707872
Energy: 1.4300394331972177
Energy: 1.3843853275018532
Energy: 1.4300394331972177
Energy: 1.3843853275018532
Energy: 1.4300394331972177
Energy: 1.3843853275018532
Energy: 1.426083100397914
Energy: 1.338092273130817
Energy: 1.426083100397914
Energy: 1.338092273131895
Energy: 1.426083100397914
Energy: 1.338092273130817
Energy: 1.3427422030089742
Energy: 1.3243175858616505
Energy: 1.3427422030089742
Energy: 1.3243175858616505
Energy: 1.342742203010052
Energy: 1.3243175858616505
Energy: 1.4259670514582767
Energy: 1.338668795828813
Energy: 1.4259670514582767
Energy: 1.3386687958298908
Energy: 1.4259670514582767
Energy: 1.338668795828813
Energy: 1.4297901471104333
Energy: 1.3844274628785107
Energy: 1.4297901471093555
Energy: 1.3844274628785107
Energy: 1.4297901471093555
Energy: 1.3844274628785107
Energy: 1.3601951505052927
Energy: 1.3437768589464114
Energy: 1.3601951505042147
Energy: 1.3437768589464114
Energy: 1.3601951505052927
Energy: 1.4635474874178065
Energy: 1.4300394331972177
Energy: 1.3843853275050875
Energy: 1.4300394331961397
Energy: 1.3843853275050875
Energy: 1.4300394331972177
Energy: 1.3843853275050875
Energy: 1.426083100395758
Energy: 1.338092273135129
Energy: 1.426083100395758
Energy: 1.338092273135129
Energy: 1.426083100395758
Energy: 1.338092273134051
Energy: 1.342742203007896
Energy: 1.3243175858616505
Energy: 1.342742203007896
Energy: 1.3243175858616505
Energy: 1.342742203007896
Energy: 1.3243175858616505
Energy: 1.4259670514593548
Energy: 1.338668795830969
Energy: 1.4259670514604328
Energy: 1.338668795830969
Energy: 1.4259670514593548
Energy: 1.338668795830969
Energy: 1.4297901471093555
Energy: 1.3844274628763547
Energy: 1.4297901471093555
Energy: 1.3844274628763547
Energy: 1.4297901471093555
Energy: 1.3844274628763547
Energy: 1.3601951505042147
Energy: 1.3437768589442554
Energy: 1.3601951505031364
Energy: 1.3437768589453334
Energy: 1.3601951505031364
Energy: 1.4169701997854254
Energy: 1.4300394331972177
Energy: 1.3843853275018532
Energy: 1.4300394331972177
Energy: 1.3843853275018532
Energy: 1.4300394331982467
Energy: 1.3843853275018532

minimum gb energy = 1.3243175858616505 eV
minimum distance =  2.26605783973389 Angstroms
sigma value = 9


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

Energy: 1.4397705745828164
Energy: 1.5346990511360916
Energy: 1.439770574581936
Energy: 1.5346990511360916
Energy: 1.4397705745836964
Energy: 1.5346990511360916
Energy: 1.470134749324581
Energy: 1.4483402035526474
Energy: 1.470134749323701
Energy: 1.448340203551767
Energy: 1.4701347493228205
Energy: 1.4483402035526474
Energy: 1.461607539770659
Energy: 1.4294847537009614
Energy: 1.461607539767138
Energy: 1.4294847537018418
Energy: 1.4616075397662578
Energy: 1.4294847537018418
Energy: 1.410595603752692
Energy: 1.5586461638803766
Energy: 1.4105956037535723
Energy: 1.5586461638803766
Energy: 1.410595603751812
Energy: 1.558646163878616
Energy: 1.4351287267489372
Energy: 1.4446567109380082
Energy: 1.4351287267489372
Energy: 1.4446567109380082
Energy: 1.435128726748057
Energy: 1.444656710937128
Energy: 1.4454393794922407
Energy: 1.4167068515270382
Energy: 1.4454393794913605
Energy: 1.4167068515270382
Energy: 1.4454393794913605
Energy: 1.4167068515270382
Energy: 1.4132883414700876
Energy: 1.4865605665885349
Energy: 1.4132883414700876
Energy: 1.4865605665885349
Energy: 1.4132883414692075
Energy: 1.4865605665885349
Energy: 1.4397681327824323
Energy: 1.4654044136959348
Energy: 1.4397681327824323
Energy: 1.4654044136959348
Energy: 1.4397681327824323
Energy: 1.465404413696815
Energy: 1.6130048658983398
Energy: 1.4529698946329903
Energy: 1.6130048658974596
Energy: 1.4529698946329903
Energy: 1.6130048658965792
Energy: 1.4529698946338707
Energy: 1.4099268583609808
Energy: 1.456729670369186
Energy: 1.4099268583609808
Energy: 1.456729670369186
Energy: 1.4099268583601003
Energy: 1.456729670369186
Energy: 1.5158827537436412
Energy: 1.461518087043685
Energy: 1.4628529224952693
Energy: 1.461518087043685
Energy: 1.4628529224952693
Energy: 1.461518087043685
Energy: 1.530138359665754
Energy: 1.430594646487711
Energy: 1.5301383596666345
Energy: 1.430594646487711
Energy: 1.530138359665754
Energy: 1.430594646487711
Energy: 1.4134915362790443
Energy: 1.480554195816987
Energy: 1.4134915362781642
Energy: 1.4805541958178672
Energy: 1.4134915362781642
Energy: 1.4805541958178672
Energy: 1.4554889224398615
Energy: 1.508746328817669
Energy: 1.4554889224407417
Energy: 1.5087463288159086
Energy: 1.4554889224398615
Energy: 1.508746328816789
Energy: 1.5468599674512342
Energy: 1.427695349465852
Energy: 1.5468599674521144
Energy: 1.4276953494649716
Energy: 1.5468599674512342
Energy: 1.4276953494649716
Energy: 1.4413298905090133
Energy: 1.4648292480594631
Energy: 1.4413298905107736
Energy: 1.4648292480603435
Energy: 1.441329890508133
Energy: 1.4648292480603435
Energy: 1.4636778313264542
Energy: 1.4595246789030674
Energy: 1.463677831325574
Energy: 1.4595246789030674
Energy: 1.4636778313264542
Energy: 1.4595246789030674
Energy: 1.6131392178848927
Energy: 1.4298250467778562
Energy: 1.613139217890174
Energy: 1.4298250467778562
Energy: 1.6131392178892938
Energy: 1.4298250467769762
Energy: 1.4175093675508652
Energy: 1.4615144386182233
Energy: 1.4175093675499848
Energy: 1.4615144386191037
Energy: 1.4175093675508652
Energy: 1.4615144386217442
Energy: 1.4190187562265013
Energy: 1.4738963420899593
Energy: 1.4190187562273815
Energy: 1.4738963420899593
Energy: 1.4190187562273815
Energy: 1.4738963420899593
Energy: 1.532379814076382
Energy: 1.426292318613771
Energy: 1.5323798140755018
Energy: 1.426292318613771
Energy: 1.532379814076382
Energy: 1.426292318613771

minimum gb energy = 1.4099268583601003 eV
minimum distance =  2.24394468854322 Angstroms
sigma value = 27


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

Energy: 1.4593164727051298
Energy: 1.464013798372896
Energy: 1.4288265186087432
Energy: 1.464013798373638
Energy: 1.4593164727058718
Energy: 1.464013798373638
Energy: 1.4871728395993
Energy: 1.458887127445144
Energy: 1.4871728395993
Energy: 1.458887127445144
Energy: 1.4871728396000419
Energy: 1.4588871274444022
Energy: 1.4790696945627804
Energy: 1.3582812365504775
Energy: 1.4790696945583288
Energy: 1.3582812365497356
Energy: 1.4790696945635224
Energy: 1.3582812365475099
Energy: 1.3293262294219437
Energy: 1.5325048534518042
Energy: 1.3293262294219437
Energy: 1.5325048534518042
Energy: 1.3293262294219437
Energy: 1.5325048534562558
Energy: 1.393096890607519
Energy: 1.5028072593248138
Energy: 1.3930968906067769
Energy: 1.5028072593248138
Energy: 1.3930968906067769
Energy: 1.5028072593248138
Energy: 1.4875327137920007
Energy: 1.436839660821231
Energy: 1.4875327137912586
Energy: 1.436839660821231
Energy: 1.4875327137912586
Energy: 1.436839660821231
Energy: 1.362189427462525
Energy: 1.5235941588728388
Energy: 1.3621894274617834
Energy: 1.5235941588758066
Energy: 1.362189427462525
Energy: 1.5235941588765485
Energy: 1.4176418850437893
Energy: 1.4943387076860628
Energy: 1.4176418850445311
Energy: 1.4943387076860628
Energy: 1.4176418850430472
Energy: 1.4943387076860628
Energy: 1.5920995150199153
Energy: 1.3295092491811653
Energy: 1.59192061916953
Energy: 1.3295092491819074
Energy: 1.5920995150199153
Energy: 1.3295092491855833
Energy: 1.4519811053647016
Energy: 1.515773696164377
Energy: 1.4519643670809097
Energy: 1.515773696164377
Energy: 1.4519811053647016
Energy: 1.515773696164377
Energy: 1.4209216976492527
Energy: 1.4434408620526356
Energy: 1.4224687429481557
Energy: 1.4434408620526356
Energy: 1.4209216976492527
Energy: 1.4434408620570873
Energy: 1.5258105304671339
Energy: 1.2946586516076695
Energy: 1.5258105304701017
Energy: 1.2946586516076695
Energy: 1.5258105304671339
Energy: 1.2946586516039598
Energy: 1.4453151948754963
Energy: 1.4884612587212347
Energy: 1.445315194878464
Energy: 1.4884612587204926
Energy: 1.4453151948754963
Energy: 1.4884612587219765
Energy: 1.3298322736040629
Energy: 1.4051327867420755
Energy: 1.3298322736033208
Energy: 1.4051327867435595
Energy: 1.3298322736040629
Energy: 1.405132786744268
Energy: 1.5368237826359967
Energy: 1.4348888006861822
Energy: 1.5389454947101486
Energy: 1.4348888006861822
Energy: 1.5368237826359967
Energy: 1.4348888006891498
Energy: 1.3864934924657506
Energy: 1.3808272035019813
Energy: 1.3864934924635246
Energy: 1.380827203502723
Energy: 1.3864934924657506
Energy: 1.3808272034982714
Energy: 1.293783615488278
Energy: 1.478058067716468
Energy: 1.29378361548902
Energy: 1.478058067716468
Energy: 1.29378361548902
Energy: 1.4780580677135
Energy: 1.4845249896412789
Energy: 1.3472516123455542
Energy: 1.4845249896412789
Energy: 1.3472516123462963
Energy: 1.4845249896397952
Energy: 1.3472516123477802
Energy: 1.5117738141927681
Energy: 1.378723144353967
Energy: 1.4507420724285647
Energy: 1.378723144354709
Energy: 1.5117738141927681
Energy: 1.3787231443569345
Energy: 1.4593164727073555
Energy: 1.4640137983721542
Energy: 1.4288265186057754
Energy: 1.46401379837438
Energy: 1.4593164727073555
Energy: 1.4640137983699282
Energy: 1.4871728396015258
Energy: 1.45888712744737
Energy: 1.4871728396015258
Energy: 1.45888712744737
Energy: 1.4871728396015258
Energy: 1.45888712744737
Energy: 1.4790696945612964
Energy: 1.3582812365489936
Energy: 1.4790696945583288
Energy: 1.3582812365489936
Energy: 1.4790696945612964
Energy: 1.3582812365460257
Energy: 1.3293262294197177
Energy: 1.53250485345403
Energy: 1.329326229418976
Energy: 1.53250485345403
Energy: 1.3293262294197177
Energy: 1.5325048534562558
Energy: 1.393096890607519
Energy: 1.5028072593270398
Energy: 1.3930968906097447
Energy: 1.5028072593270398
Energy: 1.393096890607519
Energy: 1.5028072593285235
Energy: 1.4875327137905168
Energy: 1.4368396608234568
Energy: 1.4875327137942265
Energy: 1.4368396608234568
Energy: 1.4875327137882908
Energy: 1.436839660821231

minimum gb energy = 1.293783615488278 eV
minimum distance =  2.19984031237595 Angstroms
sigma value = 19


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

Energy: 1.3255242208030082
Energy: 1.5376439842278526
Energy: 1.3255242208036486
Energy: 1.5376439842272123
Energy: 1.3255242208030082
Energy: 1.5376439842272123
Energy: 1.444558880092458
Energy: 1.3285284840438154
Energy: 1.444558880092458
Energy: 1.3285284840438154
Energy: 1.444558880092458
Energy: 1.3285284840438154
Energy: 1.4895477292675463
Energy: 1.2673251614551575
Energy: 1.489547729268187
Energy: 1.2673251614551575
Energy: 1.4895477292675463
Energy: 1.2673251614551575
Energy: 1.2868196926363302
Energy: 1.4620273321023685
Energy: 1.2868196926356896
Energy: 1.4620273321023685
Energy: 1.2868196926363302
Energy: 1.4620273321023685
Energy: 1.3693667253906332
Energy: 1.4322169624698122
Energy: 1.3693667253906332
Energy: 1.4322169624691716
Energy: 1.3693667253906332
Energy: 1.4322169624698122
Energy: 1.4271638652389995
Energy: 1.2893018935241807
Energy: 1.42716386523964
Energy: 1.2893018935241807
Energy: 1.42716386523964
Energy: 1.2893018935235403
Energy: 1.2732204285867497
Energy: 1.4245233663124492
Energy: 1.2732204285867497
Energy: 1.4245233663130894
Energy: 1.2732204285867497
Energy: 1.424523366310528
Energy: 1.3341224765471507
Energy: 1.43061550690711
Energy: 1.3341224765484314
Energy: 1.43061550690711
Energy: 1.3341224765477913
Energy: 1.4306155069064694
Energy: 1.5376488904354713
Energy: 1.266055065581475
Energy: 1.537648890436752
Energy: 1.266055065581475
Energy: 1.537648890436752
Energy: 1.266055065581475
Energy: 1.4192367036404214
Energy: 1.397087877961018
Energy: 1.4192367036404214
Energy: 1.397087877961018
Energy: 1.4192367036398104
Energy: 1.397087877961018
Energy: 1.2676789994042474
Energy: 1.5824318391529952
Energy: 1.2676789994042474
Energy: 1.5824318391517145
Energy: 1.2676789994048878
Energy: 1.5824318391523546
Energy: 1.4997088884262586
Energy: 1.2901858708738874
Energy: 1.4997088884262586
Energy: 1.290185870874528
Energy: 1.499708888426899
Energy: 1.2901858708738874
Energy: 1.3491136535523012
Energy: 1.3151424773214233
Energy: 1.349113653551661
Energy: 1.3151424773214233
Energy: 1.3491136535510204
Energy: 1.3151424773220637
Energy: 1.287391094382666
Energy: 1.4421133911186257
Energy: 1.2873910943833065
Energy: 1.4421133911186257
Energy: 1.287391094382666
Energy: 1.4421133911186257
Energy: 1.462617521196583
Energy: 1.266988742391469
Energy: 1.4626175211978643
Energy: 1.266988742391469
Energy: 1.4626175211972237
Energy: 1.266988742391469
Energy: 1.4333197793174899
Energy: 1.2662049052086992
Energy: 1.433319779312366
Energy: 1.2662049052093394
Energy: 1.4333197793136472
Energy: 1.2662049052093394
Energy: 1.3018217159950047
Energy: 1.4701609384750187
Energy: 1.3018217159950047
Energy: 1.4701609384743783
Energy: 1.3018217159950047
Energy: 1.4701609384750187
Energy: 1.41352946001808
Energy: 1.3627585147992125
Energy: 1.4135294600187207
Energy: 1.3627585147992125
Energy: 1.41352946001808
Energy: 1.3627585147992125
Energy: 1.4714091103287967
Energy: 1.2874713232220096
Energy: 1.4714091103287967
Energy: 1.2874713232220096
Energy: 1.4738836069451742
Energy: 1.2874713232220096
Energy: 1.288226233490059
Energy: 1.4604774121316888
Energy: 1.288226233490059
Energy: 1.4604774121316888
Energy: 1.288226233490059
Energy: 1.4604774121310484
Energy: 1.271358861937611
Energy: 1.5008253788800932
Energy: 1.271358861937611
Energy: 1.5008253788794526
Energy: 1.271358861937611
Energy: 1.5008253788800932
Energy: 1.5407501117834852
Energy: 1.2895469654965657
Energy: 1.5407501117700357
Energy: 1.2895469654965657
Energy: 1.5407501116669822
Energy: 1.289546965495925
Energy: 1.3762952931120767
Energy: 1.3306413883596375
Energy: 1.3762952931127168
Energy: 1.3306413883583565
Energy: 1.3762952931120767
Energy: 1.3306413883577164
Energy: 1.3195754540838855
Energy: 1.48568116013899
Energy: 1.3195754540838855
Energy: 1.4856811601383497
Energy: 1.3195754540838855
Energy: 1.4856811601383497
Energy: 1.4190534567934958
Energy: 1.292817796845076
Energy: 1.4190534567934958
Energy: 1.2928177968444357
Energy: 1.4190534567928554
Energy: 1.2928177968444357
Energy: 1.3327720873296502
Energy: 1.3001154547051677
Energy: 1.332772087328369
Energy: 1.3001154547045273
Energy: 1.3327720873277287
Energy: 1.3001154547045273
Energy: 1.263862317800804
Energy: 1.4542140798133416
Energy: 1.2638623177995232
Energy: 1.4542140798139822
Energy: 1.263862317800804
Energy: 1.4542140798139822
Energy: 1.4598156782376295
Energy: 1.2875738732285822
Energy: 1.4598156782369889
Energy: 1.2875738732285822
Energy: 1.4598156782369889
Energy: 1.2875738732279418
Energy: 1.4297581813292697
Energy: 1.2875217517906292
Energy: 1.4297581813292697
Energy: 1.2875217517912698
Energy: 1.4297581813292697
Energy: 1.2875217517906292

minimum gb energy = 1.2638623177995232 eV
minimum distance =  2.24951395906879 Angstroms
sigma value = 101


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

Energy: 1.245026390107839
Energy: 1.4529789653087548
Energy: 1.245026390107839
Energy: 1.4529789653087548
Energy: 1.245026390107839
Energy: 1.4529789653087548
Energy: 1.380594918757455
Energy: 1.25447326664629
Energy: 1.380594918758018
Energy: 1.2544732666457272
Energy: 1.380594918757455
Energy: 1.2544732666457272
Energy: 1.4394641004085376
Energy: 1.22699763620493
Energy: 1.4394641004085376
Energy: 1.22699763620493
Energy: 1.4394641004079747
Energy: 1.22699763620493
Energy: 1.1977844145957868
Energy: 1.4496660374733408
Energy: 1.197784414595224
Energy: 1.4496660374739037
Energy: 1.1977844145963497
Energy: 1.4496660374739037
Energy: 1.3152885375437662
Energy: 1.2596524598628627
Energy: 1.3152885375437662
Energy: 1.2596524598606105
Energy: 1.3152885375443293
Energy: 1.2596524598611736
Energy: 1.4307828910201061
Energy: 1.208543385744257
Energy: 1.430782891020669
Energy: 1.2085433857448198
Energy: 1.4307828910201061
Energy: 1.2085433857448198
Energy: 1.2548264580720008
Energy: 1.3787437535326927
Energy: 1.2548264580714377
Energy: 1.3787437535310039
Energy: 1.2548264580708748
Energy: 1.3787437535326927
Energy: 1.1968606080442428
Energy: 1.4299905742841506
Energy: 1.1968606080442428
Energy: 1.4299905742835877
Energy: 1.1968606080448059
Energy: 1.4299905742824617
Energy: 1.4294871446987676
Energy: 1.2105142779402585
Energy: 1.4294871446987676
Energy: 1.2105142779402585
Energy: 1.4294871446993305
Energy: 1.2105142779408216
Energy: 1.310470341162637
Energy: 1.3820263769884829
Energy: 1.310470341160948
Energy: 1.3820263769879197
Energy: 1.310470341162637
Energy: 1.3820263769879197
Energy: 1.196418931570375
Energy: 1.5817068001714605
Energy: 1.1964189315698122
Energy: 1.5817068001731494
Energy: 1.1964189315698122
Energy: 1.5817068001725865
Energy: 1.3047877776704062
Energy: 1.2560378257691003
Energy: 1.3047877776704062
Energy: 1.2560378257679745
Energy: 1.3047877776704062
Energy: 1.2560378257685376
Energy: 1.405000402656851
Energy: 1.2271367517684166
Energy: 1.405000402656288
Energy: 1.2271367517684166
Energy: 1.4050004026574139
Energy: 1.2271367517684166
Energy: 1.2450567956746326
Energy: 1.4495863675354916
Energy: 1.2450567956735068
Energy: 1.4495863675399956
Energy: 1.2450567956740697
Energy: 1.4495863675349288
Energy: 1.2452758637139238
Energy: 1.3179782955389558
Energy: 1.245275863714487
Energy: 1.3179782955389558
Energy: 1.245275863713361
Energy: 1.317978295539519
Energy: 1.4386321703222407
Energy: 1.2298075779961382
Energy: 1.4386321703216776
Energy: 1.229807577995575
Energy: 1.4386321703216776
Energy: 1.2298075779961382
Energy: 1.196635829158847
Energy: 1.3967264373629042
Energy: 1.196635829158847
Energy: 1.3967264373707349
Energy: 1.196635829158284
Energy: 1.3967264373645931
Energy: 1.1905656081385396
Energy: 1.3931231199797738
Energy: 1.1905656081402285
Energy: 1.3931231199797738
Energy: 1.1905656081391025
Energy: 1.3931231199797738
Energy: 1.4310183519127972
Energy: 1.2087506237530752
Energy: 1.4310183519122346
Energy: 1.2087506237525123
Energy: 1.4310183519116715
Energy: 1.2087506237525123
Energy: 1.2552010223472574
Energy: 1.3300686086121933
Energy: 1.2552010223461316
Energy: 1.3300686086121933
Energy: 1.2552010223466945
Energy: 1.3300686086116305
Energy: 1.2154670621420793
Energy: 1.5915638960123517
Energy: 1.2154670621409533
Energy: 1.5915638960106628
Energy: 1.2154670621415162
Energy: 1.5915638960106628
Energy: 1.4153161055833616
Energy: 1.20835685437114
Energy: 1.4153161055833616
Energy: 1.20835685437114
Energy: 1.4153161055827987
Energy: 1.2083568543717031
Energy: 1.4061909285154985
Energy: 1.208262009751203
Energy: 1.4061909285154985
Energy: 1.2082620097517658
Energy: 1.4061909285149354
Energy: 1.208262009751203
Energy: 1.197525259812917
Energy: 1.4660214102799416
Energy: 1.197525259814043
Energy: 1.4660214102793787
Energy: 1.197525259812917
Energy: 1.4660214102799416
Energy: 1.3486568048495788
Energy: 1.2616445190474614
Energy: 1.3486568048501417
Energy: 1.2616445190474614
Energy: 1.3486568048512677
Energy: 1.2616445190485874
Energy: 1.4047700234930065
Energy: 1.2301153088668968
Energy: 1.4047700234935696
Energy: 1.2301153088668968
Energy: 1.4047700234935696
Energy: 1.2301153088668968
Energy: 1.2448211176066568
Energy: 1.4869077794929342
Energy: 1.244821117606094
Energy: 1.4869077794923713
Energy: 1.2448211176072197
Energy: 1.4869077794929342
Energy: 1.2448555103552075
Energy: 1.3680064799175582
Energy: 1.2448555103552075
Energy: 1.3680064799175582
Energy: 1.2448555103552075
Energy: 1.3680064799181213
Energy: 1.4657948083086474
Energy: 1.226992279166993
Energy: 1.4657948083092105
Energy: 1.226992279167556
Energy: 1.4657948083086474
Energy: 1.226992279167556
Energy: 1.1912406124755537
Energy: 1.3672170781705633
Energy: 1.1912406124755537
Energy: 1.3672170781711261
Energy: 1.1912406124749908
Energy: 1.3672170781705633
Energy: 1.1975876013681095
Energy: 1.4230183223720172
Energy: 1.1975876013675468
Energy: 1.4230183223725805
Energy: 1.1975876013675468
Energy: 1.4230183223725805
Energy: 1.4675119540734853
Energy: 1.2083680849662914
Energy: 1.4675119540740482
Energy: 1.2083680849662914
Energy: 1.4675119540740482
Energy: 1.2083680849662914
Energy: 1.4170452551285626
Energy: 1.2085156776115857
Energy: 1.4170452551291255
Energy: 1.2085156776115857
Energy: 1.4170452551291255
Energy: 1.2085156776115857

minimum gb energy = 1.1905656081385396 eV
minimum distance =  2.27300131499957 Angstroms
sigma value = 33


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

Energy: 0.020409149563022658
Energy: 1.1763083218539592
Energy: 0.020409149562606865
Energy: 1.1763083218544268
Energy: 0.020409149562139097
Energy: 1.1763083218534913
Energy: 0.022056367604527095
Energy: 0.4276377129952238
Energy: 0.022056367604111306
Energy: 0.4276377129952238
Energy: 0.022056367604111306
Energy: 0.4276377129952238
Energy: 1.1775200446353853
Energy: 0.42829760025500574
Energy: 1.177520038188389
Energy: 0.4282976002559412
Energy: 1.1775200387214333
Energy: 0.42829760025547353
Energy: 0.022056367605930393
Energy: 0.4276377129952238
Energy: 0.022056367605930393
Energy: 0.42763771299480796
Energy: 0.02205636760546263
Energy: 0.42763771299480796

minimum gb energy = 0.020409149562139097 eV
minimum distance =  2.47855593462736 Angstroms
sigma value = 1