Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032988503575325
cohesive_energy=2.9236454478732066
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.009094070562336664
Energy: 0.9255530149095833
Energy: 0.009094070562826607
Energy: 0.9255530149098213
Energy: 0.009094070562574637
Energy: 0.9255530149100731
Energy: 0.9255530149093314
Energy: 0.009436280388421923
Energy: 0.9255530149095833
Energy: 0.009436280387190066
Energy: 0.9255530149095833
Energy: 0.009436280388169953
Energy: 0.009094070562574637
Energy: 0.9255530149093314
Energy: 0.00909407056331655
Energy: 0.9255530149098213
Energy: 0.009094070563078578
Energy: 0.9255530149098213
Energy: 0.9255530149098213
Energy: 0.009436280388673893
Energy: 0.9255530149095833
Energy: 0.009436280387680011
Energy: 0.9255530149098213
Energy: 0.00943628038793198
Energy: 0.00909407056331655
Energy: 0.9255530149093314
Energy: 0.009094070563078578
Energy: 0.9255530149095833
Energy: 0.009094070562574637
Energy: 0.9255530149100731
Energy: 0.9255530149100731
Energy: 0.00943628038793198
Energy: 0.9255530149098213
Energy: 0.009436280388421923
Energy: 0.9255530149100731
Energy: 0.009436280387442039

minimum gb energy = 0.009094070562336664 eV
minimum distance =  2.84852711692781 Angstroms
sigma value = 1


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

Energy: 1.0303661533856696
Energy: 0.919160816930865
Energy: 1.030366153382637
Energy: 0.9191608169326846
Energy: 1.0303661533844566
Energy: 0.9191608169272535
Energy: 1.0780868302675943
Energy: 0.8419248490993899
Energy: 1.0780868302797249
Energy: 0.8419248490993899
Energy: 1.078086830266988
Energy: 0.8419248490993899
Energy: 0.9479238718107968
Energy: 0.9642945492844042
Energy: 0.9479238718083708
Energy: 0.9642945492837977
Energy: 0.9479238718126164
Energy: 0.9642945492844042
Energy: 1.0374578779194952
Energy: 0.9068568895643826
Energy: 1.0374578779176757
Energy: 0.9068568895637762
Energy: 1.0374578779170691
Energy: 0.9068568895631696
Energy: 0.9576459489628016
Energy: 1.0314580263387234
Energy: 0.9576459489621952
Energy: 1.03145802633933
Energy: 0.9576459489628016
Energy: 1.0314580263387234
Energy: 0.9936468585852875
Energy: 0.8854891531248316
Energy: 0.9936468585852875
Energy: 0.8854891531272576
Energy: 0.9936468585816481
Energy: 0.8854891531236185
Energy: 0.9494463937738301
Energy: 1.0051531989609126
Energy: 0.9494463937641534
Energy: 1.0051531989572735
Energy: 0.9494463938362746
Energy: 1.0051531989481755
Energy: 0.8976859758353222
Energy: 1.0691081834032476
Energy: 0.8976859758389615
Energy: 1.0691081834032476
Energy: 0.8976859758377485
Energy: 1.0691081833983958
Energy: 1.0054602484048003
Energy: 1.0063442376105558
Energy: 1.0054602484029804
Energy: 1.0063442376093426
Energy: 1.0054602484017674
Energy: 1.0063442376093426
Energy: 0.8372559252331587
Energy: 1.0621032204485303
Energy: 0.8372559252325523
Energy: 1.0621032204436782
Energy: 0.8372559252325523
Energy: 1.0621032204412522
Energy: 0.9934489726975522
Energy: 0.8929796703804779
Energy: 0.9934487713117596
Energy: 0.8929796703804779
Energy: 0.9934481669063958
Energy: 0.8929796703798712
Energy: 0.7948896925593711
Energy: 1.0209723318618387
Energy: 0.7948896925599501
Energy: 1.0209723318636583
Energy: 0.7948896925599501
Energy: 1.0209723318594126
Energy: 1.08406040489983
Energy: 0.784299625788261
Energy: 1.08406040489801
Energy: 0.7842996257876543
Energy: 1.08406040489801
Energy: 0.7842996257876543
Energy: 0.8966060065816603
Energy: 0.9520577192006399
Energy: 0.8966060065816603
Energy: 0.9520577192048855
Energy: 0.8966060065822667
Energy: 0.952057719204279
Energy: 1.111846138858371
Energy: 0.8407834425169126
Energy: 1.1118461388577643
Energy: 0.8407834425181256
Energy: 1.1118461388595837
Energy: 0.8407834425169126
Energy: 1.1180832785041834
Energy: 0.9915481264552128
Energy: 1.1180832785041834
Energy: 0.9915481264527868
Energy: 1.1180832785047898
Energy: 0.9915481264533931
Energy: 0.9978348828958254
Energy: 0.9750897699899373
Energy: 0.9978348828940059
Energy: 0.9750897699893308
Energy: 0.9978348828915797
Energy: 0.9750897699899373
Energy: 0.9972970750896998
Energy: 0.9075141828646671
Energy: 0.9972970750769626
Energy: 0.907514182861028
Energy: 0.9972970750799953
Energy: 0.9075141828695192
Energy: 0.8382961138014674
Energy: 0.9066781170184308
Energy: 0.8382961137978282
Energy: 0.9066781170153981
Energy: 0.8382961138014674
Energy: 0.90667811700812
Energy: 0.9781277058663016
Energy: 0.8856773375150213
Energy: 0.9781277058614494
Energy: 0.8856773375156279
Energy: 0.9781277058541711
Energy: 0.8856773375156279
Energy: 0.8504017249846653
Energy: 1.0431338192857253
Energy: 0.8504017249840863
Energy: 1.0431337535216145
Energy: 0.8504017249834797
Energy: 1.0431336573738048
Energy: 1.007766821653437
Energy: 1.0070342979298936
Energy: 1.0077668216595022
Energy: 1.0070342979298936
Energy: 1.0077668216582891
Energy: 1.0070342979305
Energy: 0.7972979394430119
Energy: 1.078506639910373
Energy: 0.7972979394417988
Energy: 1.0785066399140122
Energy: 0.7972979394424055
Energy: 1.0785066399164382

minimum gb energy = 0.7842996257876543 eV
minimum distance =  2.59300625396847 Angstroms
sigma value = 33


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

Energy: 1.1161728483970743
Energy: 1.0745520261427353
Energy: 1.0600144363936714
Energy: 1.074552026147565
Energy: 1.1161728483998343
Energy: 1.074552026149635
Energy: 1.1188052278484688
Energy: 0.9307759728666414
Energy: 1.1188052278498488
Energy: 0.9307759728652615
Energy: 1.1188052278481238
Energy: 0.9307759728642265
Energy: 0.8543965269690196
Energy: 0.9296003890958672
Energy: 0.8543965269721244
Energy: 0.9296003890862076
Energy: 0.8543965269724696
Energy: 0.9296003890920723
Energy: 1.0402231866661331
Energy: 1.0081281467900183
Energy: 1.040223186671653
Energy: 1.0081281444896322
Energy: 1.040223186668548
Energy: 1.0081281421713069
Energy: 0.9764611700240954
Energy: 0.9643635400069539
Energy: 0.9764611700282352
Energy: 0.9643635400079889
Energy: 0.9764611700244404
Energy: 0.9643635400131636
Energy: 0.8168442299304393
Energy: 0.7829028481990583
Energy: 0.8225633614284277
Energy: 0.7829028482028532
Energy: 0.8222272864597767
Energy: 0.7829028482004381
Energy: 1.0739669595489463
Energy: 1.0529546238848837
Energy: 1.0739669533308664
Energy: 1.0529546238869538
Energy: 1.073966942710634
Energy: 1.0529546238872987
Energy: 0.8027247468496068
Energy: 1.0573657092160749
Energy: 0.8027247468478818
Energy: 1.057365631217002
Energy: 0.8027247468471919
Energy: 1.0573655232934356
Energy: 0.9479279184491323
Energy: 0.8572162768716732
Energy: 0.9479279184498224
Energy: 0.8572162768751231
Energy: 0.9479279184539622
Energy: 0.8572162768747783
Energy: 0.8367735966046057
Energy: 0.852482181185578
Energy: 0.8367646663212968
Energy: 0.7863405691251488
Energy: 0.8367735966052957
Energy: 0.7862603141598151
Energy: 1.0588170589481427
Energy: 0.8394429479612207
Energy: 1.0588176559329554
Energy: 0.8394429479615655
Energy: 1.0588159176491327
Energy: 0.8394429479612207
Energy: 0.8555595706715655
Energy: 0.8973516376656178
Energy: 0.8555596583322719
Energy: 0.8973516376663077
Energy: 0.8555595706715655
Energy: 0.8973516376663077
Energy: 1.0807342918036036
Energy: 0.8469740600364855
Energy: 1.0807342918091234
Energy: 0.8469740600351054
Energy: 1.0807342918018785
Energy: 0.8469740600351054
Energy: 1.0500489713390349
Energy: 1.0746090109488633
Energy: 1.0500489713417949
Energy: 1.0746090108285251
Energy: 1.0500489713424845
Energy: 1.0746090106747226
Energy: 0.9918458872851683
Energy: 0.9300548629265524
Energy: 0.9918458872882417
Energy: 0.9300548629199976
Energy: 0.9918458872865482
Energy: 0.9300548629244826
Energy: 0.8546293980879296
Energy: 0.9295931856612848
Energy: 0.8546293980882749
Energy: 0.9295931856592148
Energy: 0.8546293980882749
Energy: 0.929593185656455
Energy: 1.0388004967278432
Energy: 1.008607594178078
Energy: 1.0387988792496605
Energy: 1.0086075941894628
Energy: 1.038793180328497
Energy: 1.008607594184978
Energy: 0.9752909820535349
Energy: 0.8449683820346885
Energy: 0.975290982050775
Energy: 0.8449683820339984
Energy: 0.9752909820487051
Energy: 0.8449683820343434
Energy: 0.940132642848747
Energy: 0.9595361406771603
Energy: 0.9401326428501271
Energy: 0.95953614068061
Energy: 0.940132642853232
Energy: 0.9595361406775051
Energy: 1.0760603228927605
Energy: 1.0520399098221764
Energy: 1.0760603228896557
Energy: 1.0520399098214863
Energy: 1.076060322884826
Energy: 1.0520399098218314
Energy: 0.8023554995468559
Energy: 1.1215042071058245
Energy: 0.802355499547546
Energy: 1.1215042071030645
Energy: 0.8023554995454761
Energy: 1.1215042071082395
Energy: 0.9486634970933493
Energy: 0.8573108520569418
Energy: 0.9486634970940393
Energy: 0.8573108520600466
Energy: 0.9486634970950741
Energy: 0.8573108520597017
Energy: 0.8368322246119472
Energy: 0.7802669500481555
Energy: 0.8368331176585782
Energy: 0.89295446909935
Energy: 0.8368322246109121
Energy: 0.8929835912022728
Energy: 1.0597813466223043
Energy: 0.9757315505154406
Energy: 1.0597813466226493
Energy: 0.9757315505113008
Energy: 1.0597813466216144
Energy: 0.9757315505133706
Energy: 0.8543769694161021
Energy: 0.9495647155041192
Energy: 0.8543862542526228
Energy: 0.9495647136340597
Energy: 0.8543769694157571
Energy: 0.949564711974726
Energy: 1.1050069801337812
Energy: 1.0760873575448355
Energy: 1.0495525646635517
Energy: 1.0760873575507002
Energy: 1.1050069801310212
Energy: 1.076087357553805
Energy: 1.105112746310896
Energy: 1.0673538386131693
Energy: 1.0495934796819004
Energy: 1.0673538386190342
Energy: 1.1051127463191759
Energy: 1.0673538386148942
Energy: 0.8543151528434602
Energy: 0.9485784540066742
Energy: 0.8543151528486349
Energy: 0.9485784540108141
Energy: 0.8543151528476
Energy: 0.9485784540087442
Energy: 0.8200957703168544
Energy: 0.9305686790300608
Energy: 0.8523056892495241
Energy: 0.9305686790338557
Energy: 0.8524474054426013
Energy: 0.9305686790338557
Energy: 0.8368433030891146
Energy: 1.0632855722057286
Energy: 0.8368433030894595
Energy: 0.8018449877004239
Energy: 0.8368433030887698
Energy: 0.8019780559337059
Energy: 0.9937425474929993
Energy: 0.8441957308504848
Energy: 0.9937425474916194
Energy: 0.8441957308477249
Energy: 0.9937425474981741
Energy: 0.8441957308484148
Energy: 0.8469063595755658
Energy: 1.081967088396589
Energy: 0.8469063595783257
Energy: 1.081967088394174
Energy: 0.8469063595748759
Energy: 1.081967088397969
Energy: 1.0760828865583947
Energy: 1.0520884789599143
Energy: 1.0760828865580496
Energy: 1.0520884789612628
Energy: 1.0760828865552898
Energy: 1.0520884789616078
Energy: 0.9321415455791121
Energy: 0.991634130320053
Energy: 0.9321415455780772
Energy: 0.9916341303241928
Energy: 0.932141545576697
Energy: 0.9916341303166031
Energy: 0.9296160402672201
Energy: 0.8544134224042353
Energy: 0.9296160402592853
Energy: 0.8544134224042353
Energy: 0.9296160402661852
Energy: 0.8544134224028553
Energy: 1.0075459000400944
Energy: 1.038886869634561
Energy: 1.007545898629717
Energy: 1.0388868119918404
Energy: 1.007545887808419
Energy: 1.0388867483661968
Energy: 0.8546902987896636
Energy: 0.9756634396269075
Energy: 0.8546852881978729
Energy: 0.9756634396248376
Energy: 0.8546902987924234
Energy: 0.9756634396286326
Energy: 0.9595433264382438
Energy: 0.9378372906571071
Energy: 0.9595433264354838
Energy: 0.9378372906629405
Energy: 0.9595433264323789
Energy: 0.9378372906625956
Energy: 1.0500801298686657
Energy: 1.0745622025151491
Energy: 1.0500801298679756
Energy: 1.0745622023430628
Energy: 1.0500801298714253
Energy: 1.0745622020830663
Energy: 1.0658879175074312
Energy: 0.8026527480361328
Energy: 1.06574528051023
Energy: 0.8026527480382029
Energy: 0.7703081618554907
Energy: 0.8026527480375129
Energy: 0.8555835231351955
Energy: 0.8521645447354457
Energy: 0.8555835231300206
Energy: 0.8521645447399305
Energy: 0.8555835231310556
Energy: 0.8521645447399305

minimum gb energy = 0.7703081618554907 eV
minimum distance =  2.63720969532487 Angstroms
sigma value = 51


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

Energy: 0.9964593578176527
Energy: 0.9997675388294909
Energy: 0.9964593578184521
Energy: 0.9997675388318888
Energy: 0.9964593578176527
Energy: 0.9997675388294909
Energy: 1.0431707656144549
Energy: 0.8945517124750196
Energy: 1.043170765610458
Energy: 0.894551712478217
Energy: 1.0431707656152542
Energy: 0.8945517124774176
Energy: 0.8995294435540283
Energy: 0.969070684570865
Energy: 0.899529443553229
Energy: 0.9690706845564769
Energy: 0.8995294435564082
Energy: 0.9690706845213245
Energy: 0.9838661435725865
Energy: 0.8266392005051183
Energy: 0.9838661435733859
Energy: 0.8266392005051183
Energy: 0.9838661435725865
Energy: 0.8266392005051183
Energy: 0.9867877970289977
Energy: 0.9722672824238723
Energy: 0.9867877970281983
Energy: 0.9722672824198757
Energy: 0.9867877970258003
Energy: 0.9722672824222738
Energy: 0.9950338422630992
Energy: 0.9722987858792508
Energy: 0.9950338422630992
Energy: 0.9722987858768528
Energy: 0.9950338422607193
Energy: 0.9722987858776522
Energy: 0.900870784743585
Energy: 0.9724240931641116
Energy: 0.900870784743585
Energy: 0.972424093162513
Energy: 0.9008707847419863
Energy: 0.972424093162513
Energy: 0.9029996857279338
Energy: 0.9725688397942521
Energy: 0.9029996857287331
Energy: 0.9725688397974495
Energy: 0.9029996857271344
Energy: 0.9725688397878575
Energy: 1.1024217127162235
Energy: 0.8238962327609495
Energy: 1.1024217127154243
Energy: 0.8238962327609495
Energy: 1.1024217127154243
Energy: 0.8238962327609495
Energy: 0.8405101476223108
Energy: 1.0847323446273436
Energy: 0.8405101476215115
Energy: 1.0847323446241461
Energy: 0.8405101476223108
Energy: 1.0847323446233468
Energy: 0.7645189469397187
Energy: 0.8314195005615803
Energy: 0.7643511004460909
Energy: 0.8314195005615803
Energy: 0.7870451679127499
Energy: 0.8314195005615803
Energy: 0.9958130723716424
Energy: 1.0000481674947892
Energy: 0.9958130723724418
Energy: 1.0000481674916102
Energy: 0.9958130723724418
Energy: 1.0000481674939898
Energy: 1.0420891751690702
Energy: 0.8953771939384081
Energy: 1.0420883469758568
Energy: 0.8953771939376087
Energy: 1.0420857049541539
Energy: 0.8953771939376087
Energy: 0.962843461987856
Energy: 0.9162934587740202
Energy: 0.9628434619838593
Energy: 0.9162934586989192
Energy: 0.9628434619862574
Energy: 0.9162934586062327
Energy: 0.9684177148818565
Energy: 0.9907246143975265
Energy: 0.9684177148802579
Energy: 0.9907246143967271
Energy: 0.9684177148802579
Energy: 0.9907246143967271
Energy: 0.9861216386515981
Energy: 0.972420292546469
Energy: 0.9861216386507987
Energy: 0.972420292544071
Energy: 0.9861216386364289
Energy: 0.972420292544071
Energy: 0.9868224790758292
Energy: 1.0569415275889762
Energy: 0.9868224790750298
Energy: 1.0569415275897756
Energy: 0.9868224790766285
Energy: 1.056941527590575
Energy: 0.9588949796393467
Energy: 0.973855144664509
Energy: 0.9588949796393467
Energy: 0.9738551446637097
Energy: 0.9588949796385473
Energy: 0.973855144664509

minimum gb energy = 0.7643511004460909 eV
minimum distance =  2.4863768669553 Angstroms
sigma value = 19


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

Energy: 0.8056765562960676
Energy: 0.8142021838793938
Energy: 0.8056765562960676
Energy: 0.8142021838789196
Energy: 0.8056765562951195
Energy: 0.8142021838798679
Energy: 0.8862023335044897
Energy: 0.9960686889908956
Energy: 0.8862023335030674
Energy: 0.9960686889894731
Energy: 0.886202333501645
Energy: 0.9960686889894731
Energy: 0.774548334519544
Energy: 0.9945164681217379
Energy: 0.7745483345200183
Energy: 0.9945164681169965
Energy: 0.774548334519544
Energy: 0.9945164681184189
Energy: 0.8392894829587247
Energy: 0.7747980942389836
Energy: 0.8392894829606214
Energy: 0.7747980942380354
Energy: 0.8392894829577765
Energy: 0.7747980942385095
Energy: 0.7978264424924744
Energy: 0.8026771910810377
Energy: 0.7978264424920003
Energy: 0.8026771910810377
Energy: 0.7978264424920003
Energy: 0.8026771910815119
Energy: 0.7978101689505298
Energy: 0.8026091707233957
Energy: 0.7978101689509826
Energy: 0.8026091707243439
Energy: 0.7978101689505298
Energy: 0.8026091707243439
Energy: 0.8392896408570248
Energy: 0.7747980443316492
Energy: 0.839289640850861
Energy: 0.7747980443316492
Energy: 0.8392896408532317
Energy: 0.7747980443321234
Energy: 0.7745449993639411
Energy: 0.9944672065538851
Energy: 0.774544999364415
Energy: 0.9944672065557816
Energy: 0.774544999364415
Energy: 0.9944672065548333
Energy: 0.8862138883723715
Energy: 0.9960637230379161
Energy: 0.8862138883733196
Energy: 0.9960637230374418
Energy: 0.8862138883723715
Energy: 0.9960637230369679
Energy: 0.8056765562965204
Energy: 0.814202183880342
Energy: 0.8056765562946452
Energy: 0.8142021838798679
Energy: 0.8056765562955935
Energy: 0.8142021838798679
Energy: 0.8862023335040157
Energy: 0.9960686889908956
Energy: 0.8862023335025933
Energy: 0.9960686889899472
Energy: 0.8862023335040157
Energy: 0.9960686889899472
Energy: 0.7745483345185958
Energy: 0.9945164681203154
Energy: 0.77454833451907
Energy: 0.9945164681174704
Energy: 0.77454833451907
Energy: 0.9945164681207895
Energy: 0.8392894829606214
Energy: 0.7747980942389836
Energy: 0.8392894829606214
Energy: 0.7747980942389836
Energy: 0.8392894829596731
Energy: 0.7747980942389836
Energy: 0.7978264424920003
Energy: 0.8026771910815119
Energy: 0.7978264424920003
Energy: 0.8026771910815119
Energy: 0.7978264424920003
Energy: 0.8026771910815119
Energy: 0.7978101689505298
Energy: 0.8026091707238697
Energy: 0.7978101689505298
Energy: 0.8026091707252921
Energy: 0.7978101689505298
Energy: 0.8026091707243439
Energy: 0.839289640860818
Energy: 0.7747980443321234
Energy: 0.8392896408589213
Energy: 0.7747980443321234
Energy: 0.8392896408513351
Energy: 0.7747980443321234
Energy: 0.7745449993634668
Energy: 0.9944672065538851
Energy: 0.774544999364415
Energy: 0.9944672065553074
Energy: 0.7745449993639411
Energy: 0.9944672065548333
Energy: 0.8862138883700007
Energy: 0.9960637230383903
Energy: 0.8862138883728455
Energy: 0.9960637230369679
Energy: 0.8862138883695265
Energy: 0.9960637230369679
Energy: 0.8056765562955935
Energy: 0.8142021838798679
Energy: 0.8056765562955935
Energy: 0.8142021838798679
Energy: 0.8056765562960676
Energy: 0.8142021838798679
Energy: 0.886202333501645
Energy: 0.9960686889908956
Energy: 0.8862023335040157
Energy: 0.9960686889899472
Energy: 0.886202333501645
Energy: 0.9960686889899472
Energy: 0.77454833451907
Energy: 0.9945164681207895
Energy: 0.77454833451907
Energy: 0.9945164681203154
Energy: 0.77454833451907
Energy: 0.9945164681179446
Energy: 0.8392894829615697
Energy: 0.7747980942389836
Energy: 0.839289482959199
Energy: 0.7747980942389836
Energy: 0.8392894829587247
Energy: 0.7747980942394579
Energy: 0.7978264424920003
Energy: 0.8026771910815119
Energy: 0.7978264424920003
Energy: 0.8026771910815119
Energy: 0.7978264424920003
Energy: 0.8026771910815119
Energy: 0.7978101689509826
Energy: 0.8026091707252921
Energy: 0.7978101689509826
Energy: 0.8026091707252921
Energy: 0.7978101689509826
Energy: 0.8026091707238697
Energy: 0.8392896408537058
Energy: 0.7747980443321234
Energy: 0.8392896408565506
Energy: 0.7747980443321234
Energy: 0.839289640860818
Energy: 0.7747980443321234
Energy: 0.7745449993634668
Energy: 0.9944672065519885
Energy: 0.774544999364415
Energy: 0.9944672065562559
Energy: 0.774544999364415
Energy: 0.9944672065553074
Energy: 0.8862138883690525
Energy: 0.9960637230379161
Energy: 0.8862138883714231
Energy: 0.9960637230369679
Energy: 0.8862138883714231
Energy: 0.9960637230364937
Energy: 0.8056765562960676
Energy: 0.8142021838798679
Energy: 0.8056765562955935
Energy: 0.8142021838798679
Energy: 0.8056765562951195
Energy: 0.8142021838798679
Energy: 0.8862023335044897
Energy: 0.9960686889904213
Energy: 0.8862023335021191
Energy: 0.9960686889889988
Energy: 0.8862023335030674
Energy: 0.9960686889894731
Energy: 0.77454833451907
Energy: 0.9945164681207895
Energy: 0.77454833451907
Energy: 0.9945164681188929
Energy: 0.774548334519544
Energy: 0.9945164681217379

minimum gb energy = 0.7745449993634668 eV
minimum distance =  2.51989887142334 Angstroms
sigma value = 27


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

Energy: 0.7659506597459151
Energy: 0.7562537228592334
Energy: 0.7659506597447537
Energy: 0.7562537228592334
Energy: 0.7659506597447537
Energy: 0.7562537228592334
Energy: 0.8811918971981803
Energy: 0.7784756349145668
Energy: 0.8811918971981803
Energy: 0.7784756349145668
Energy: 0.8811918971958573
Energy: 0.7784756349145668
Energy: 0.7832115902959871
Energy: 0.846633452857861
Energy: 0.7832115903029556
Energy: 0.8466334528590225
Energy: 0.7832115903017942
Energy: 0.846633452857861
Energy: 0.8445305279056171
Energy: 0.7370637156341359
Energy: 0.8445305279079399
Energy: 0.7370637156341359
Energy: 0.8445305279056171
Energy: 0.7370637156341359
Energy: 0.9428849460238065
Energy: 0.7370210768634017
Energy: 0.942884946022645
Energy: 0.7370210768645631
Energy: 0.942884946022645
Energy: 0.7370210768657245
Energy: 0.9102356489633221
Energy: 0.9370208027281324
Energy: 0.9102356489644835
Energy: 0.9370208027292938
Energy: 0.9102356489644835
Energy: 0.9370208027304552
Energy: 0.7374744178430864
Energy: 0.7811264769244788
Energy: 0.7374744178430864
Energy: 0.7811264769244788
Energy: 0.737474417841925
Energy: 0.7811264769244788
Energy: 0.7656677912901162
Energy: 0.7563528567878145
Energy: 0.7656677912901162
Energy: 0.7563528567878145
Energy: 0.7656677912901162
Energy: 0.7563528567878145
Energy: 0.8671605972126062
Energy: 0.7830237855756587
Energy: 0.8671590942465598
Energy: 0.7830237855849499
Energy: 0.867153333535139
Energy: 0.7830237855814656
Energy: 0.8355170484456805
Energy: 0.9079082488385363
Energy: 0.8355170484456805
Energy: 0.9079082488362136
Energy: 0.8355170484456805
Energy: 0.9079082488373748
Energy: 0.7555519679369811
Energy: 0.7385035937400096
Energy: 0.7555519679369811
Energy: 0.7385035937388482
Energy: 0.7555519679369811
Energy: 0.7385035937388482
Energy: 0.9105845302153585
Energy: 0.8677291896513839
Energy: 0.9105834249481946
Energy: 0.867729189649061
Energy: 0.9105807026946933
Energy: 0.867729189640931

minimum gb energy = 0.7370210768634017 eV
minimum distance =  2.48739198611917 Angstroms
sigma value = 9


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

Energy: 0.7940911048543577
Energy: 0.6960321939250513
Energy: 0.7940911048540316
Energy: 0.696032193924725
Energy: 0.7940911048537052
Energy: 0.6960321939253777
Energy: 0.7212755489994996
Energy: 0.6868246220491687
Energy: 0.7212755490895362
Energy: 0.6868246220501477
Energy: 0.7212755490888834
Energy: 0.6868246220491687
Energy: 0.6683276097940765
Energy: 0.7358956866745242
Energy: 0.6683276097940765
Energy: 0.7358956866758295
Energy: 0.6683276097934239
Energy: 0.7358956866725662
Energy: 0.689690326203741
Energy: 0.659559350489014
Energy: 0.6896903262030883
Energy: 0.6595593504867298
Energy: 0.6896903262030883
Energy: 0.6595593504857508
Energy: 0.7145202590311044
Energy: 0.6963219184497599
Energy: 0.7145202590284938
Energy: 0.6963219184504126
Energy: 0.714520259032736
Energy: 0.6963219184510652
Energy: 0.7531681260914083
Energy: 0.745829302090619
Energy: 0.7531681261015244
Energy: 0.74582930205146
Energy: 0.753168126086187
Energy: 0.7458293019803504
Energy: 0.7188438555681034
Energy: 0.7806842166102764
Energy: 0.7188438555791985
Energy: 0.7806842166109292
Energy: 0.7188438555775667
Energy: 0.7806842166106028
Energy: 0.6517378244389007
Energy: 0.718621132488631
Energy: 0.6517378244389007
Energy: 0.718621132488631
Energy: 0.651737824439227
Energy: 0.7186211324879782
Energy: 0.723758730807512
Energy: 0.696885664299821
Energy: 0.7237587308045751
Energy: 0.6968856642926418
Energy: 0.72375873080947
Energy: 0.696885664297863
Energy: 0.710708079046725
Energy: 0.7890449983978132
Energy: 0.7107080790682329
Energy: 0.7890449984040134
Energy: 0.7107080790470512
Energy: 0.7890449984033608
Energy: 0.6869546381762028
Energy: 0.6651664892051954
Energy: 0.6869546381788135
Energy: 0.665166489205848
Energy: 0.6869546381781609
Energy: 0.665166489205848
Energy: 0.6836348500391124
Energy: 0.7546230253706296
Energy: 0.6836348500381334
Energy: 0.7546230253533344
Energy: 0.6836348500384597
Energy: 0.7546230253438708
Energy: 0.7326032559946902
Energy: 0.7339661192165586
Energy: 0.7326032558146469
Energy: 0.7339661192146008
Energy: 0.7326032551671848
Energy: 0.7339661191947245
Energy: 0.7890268130661039
Energy: 0.6885350710004432
Energy: 0.7890268130693671
Energy: 0.6885350710007695
Energy: 0.7890268130599036
Energy: 0.6885350710053381
Energy: 0.6738080043036592
Energy: 0.7108681482610046
Energy: 0.6738080043033329
Energy: 0.7108681482639416
Energy: 0.6738080043043119
Energy: 0.7108681482649206
Energy: 0.6728730298460625
Energy: 0.7197985067979482
Energy: 0.6728730298441045
Energy: 0.719798506769884
Energy: 0.6728730298408708
Energy: 0.7197985067225963
Energy: 0.6668474804439753
Energy: 0.6600372829135801
Energy: 0.6666174036132887
Energy: 0.6600372829109694
Energy: 0.666759834965387
Energy: 0.6600372829168433
Energy: 0.6795164480608739
Energy: 0.7035658454799746
Energy: 0.679516448055979
Energy: 0.7035658454799746
Energy: 0.6795164480582633
Energy: 0.7035658454803009
Energy: 0.6481649042616856
Energy: 0.8163705331441373
Energy: 0.6481649042603802
Energy: 0.8163703660623399
Energy: 0.6481649042587783
Energy: 0.8163690485292882
Energy: 0.7893857250736794
Energy: 0.6649261250029431
Energy: 0.789385725075311
Energy: 0.6649261250019641
Energy: 0.7893857250756374
Energy: 0.6649261250013115
Energy: 0.6483294533047017
Energy: 0.8163420829602018
Energy: 0.6483294533115249
Energy: 0.8163417864891948
Energy: 0.6483294533047017
Energy: 0.8163413319559746
Energy: 0.6794958104518586
Energy: 0.7035776609809443
Energy: 0.6794958104554482
Energy: 0.7035776609809443
Energy: 0.6794958104557746
Energy: 0.7035776609809443
Energy: 0.6668854453836319
Energy: 0.6598461302052557
Energy: 0.6666184873629243
Energy: 0.6598461301981062
Energy: 0.6666635317336749
Energy: 0.6598461302020221
Energy: 0.6728392202814021
Energy: 0.7815446080808806
Energy: 0.6728392202807494
Energy: 0.7815446080756593
Energy: 0.6728392202800968
Energy: 0.7815446080362034
Energy: 0.6734184663327492
Energy: 0.7106778013467073
Energy: 0.6734184663314439
Energy: 0.7106778013476863
Energy: 0.6734184663327492
Energy: 0.7106778013467073
Energy: 0.7887712373300602
Energy: 0.7354882632384019
Energy: 0.7887712373144261
Energy: 0.7354882632380755
Energy: 0.7887712372919096
Energy: 0.7354882632325279
Energy: 0.732742926609673
Energy: 0.733947133140463
Energy: 0.7327429264840966
Energy: 0.7339471331349156
Energy: 0.7327429259471999
Energy: 0.7339471331398104
Energy: 0.6828535176681167
Energy: 0.7336688896823969
Energy: 0.682853517668443
Energy: 0.7336688896804389
Energy: 0.6828535176681167
Energy: 0.7336688896709753
Energy: 0.6869718771650399
Energy: 0.6651937707216011
Energy: 0.6869718771653662
Energy: 0.6651937707225801
Energy: 0.6869718771598188
Energy: 0.6651937707219274
Energy: 0.7107616013549656
Energy: 0.7008710495797714
Energy: 0.7107616013569237
Energy: 0.7008710495676973
Energy: 0.7107616013536604
Energy: 0.7008710495765081
Energy: 0.7230522092058047
Energy: 0.696752399058651
Energy: 0.7230522092067836
Energy: 0.6967523990579984
Energy: 0.7230522092031939
Energy: 0.6967523990579984
Energy: 0.6516598474260258
Energy: 0.7185654721222957
Energy: 0.6516598474266785
Energy: 0.7185654721209904
Energy: 0.6516598474263522
Energy: 0.7185654721200114
Energy: 0.7188299523161167
Energy: 0.780590517950197
Energy: 0.718829952298851
Energy: 0.780590517950197
Energy: 0.7188299522867769
Energy: 0.7805905179488918
Energy: 0.7531104548068768
Energy: 0.7395785335553957
Energy: 0.7531104548176456
Energy: 0.7395785335505008
Energy: 0.7531104547863182
Energy: 0.7395785335465849
Energy: 0.7143593566327929
Energy: 0.6962151214024012
Energy: 0.7143593566275718
Energy: 0.6962151214017485
Energy: 0.7143593566314876
Energy: 0.6962151214046854
Energy: 0.6896678489089966
Energy: 0.6594939270185666
Energy: 0.6896678489096492
Energy: 0.659493927017914
Energy: 0.6896678489096492
Energy: 0.6594939270198719
Energy: 0.6683071567798998
Energy: 0.7358743641913834
Energy: 0.6683071567815315
Energy: 0.7358743641936677
Energy: 0.6683071567798998
Energy: 0.7358743641923624
Energy: 0.7213626111998864
Energy: 0.6747727967818795
Energy: 0.7213626111904229
Energy: 0.6747727967815532
Energy: 0.7213626111825912
Energy: 0.6747727967822058
Energy: 0.7940911048589264
Energy: 0.6960321939240725
Energy: 0.7940911048579474
Energy: 0.6960321939237462
Energy: 0.7940911048572947
Energy: 0.6960321939240725
Energy: 0.7212755482137343
Energy: 0.6868246220498213
Energy: 0.7212755482417984
Energy: 0.6868246220498213
Energy: 0.7212755482000285
Energy: 0.6868246220498213
Energy: 0.6683276097963607
Energy: 0.7358956866693029
Energy: 0.668327609795708
Energy: 0.7358956866712608
Energy: 0.668327609795708
Energy: 0.735895686667345
Energy: 0.6896903262011304
Energy: 0.659559350490972
Energy: 0.689690326202762
Energy: 0.6595593504896666
Energy: 0.689690326202762
Energy: 0.6595593504850981
Energy: 0.7145202590363257
Energy: 0.6963219184507389
Energy: 0.7145202590320834
Energy: 0.6963219184507389
Energy: 0.7145202590402415
Energy: 0.6963219184513915

minimum gb energy = 0.6481649042587783 eV
minimum distance =  2.62076496913482 Angstroms
sigma value = 57


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

Energy: 0.37180356605313136
Energy: 0.37788064565591184
Energy: 0.37180356605313136
Energy: 0.37788064565591184
Energy: 0.37180356605313136
Energy: 0.37788064565591184
Energy: 0.4157787335883049
Energy: 0.3717786930963844
Energy: 0.4157787335905166
Energy: 0.3717786930971272
Energy: 0.4157787335897906
Energy: 0.3717786930956415
Energy: 0.39234313959512723
Energy: 0.42410716229319084
Energy: 0.39234313959512723
Energy: 0.42410716229319084
Energy: 0.3923431395943844
Energy: 0.42410716229244805
Energy: 0.3794005491449996
Energy: 0.3713512917576269
Energy: 0.3794005491449996
Energy: 0.37135129175688397
Energy: 0.3794005491457424
Energy: 0.37135129175836973
Energy: 0.41553332858214104
Energy: 0.4160792703764603
Energy: 0.41553332858214104
Energy: 0.4160792703764603
Energy: 0.41553332858214104
Energy: 0.4160792703772032
Energy: 0.371371342297934
Energy: 0.39384141188519256
Energy: 0.3713713422971912
Energy: 0.39384141188519256
Energy: 0.3713713422971912
Energy: 0.39384141188519256
Energy: 0.3713388929314615
Energy: 0.39382431541875357
Energy: 0.3713388929314615
Energy: 0.39382431541875357
Energy: 0.37133889293071864
Energy: 0.39382431541875357
Energy: 0.41598541165665054
Energy: 0.4160704752553233
Energy: 0.41598541165813624
Energy: 0.4160704752553233
Energy: 0.41598541165813624
Energy: 0.4160704752553233
Energy: 0.3793987111345964
Energy: 0.3712934390885606
Energy: 0.3793987111345964
Energy: 0.3712934390885606
Energy: 0.3793987111345964
Energy: 0.3712934390885606
Energy: 0.3923432883468994
Energy: 0.42416736078711254
Energy: 0.3923432883468994
Energy: 0.42416736078785533
Energy: 0.3923432883468994
Energy: 0.42416736078711254
Energy: 0.4155182951483033
Energy: 0.37180490257753523
Energy: 0.4155182951438463
Energy: 0.37180490257679233
Energy: 0.4155182951483033
Energy: 0.37180490257679233
Energy: 0.37180356605313136
Energy: 0.37788064565516905
Energy: 0.37180356605313136
Energy: 0.37788064565516905
Energy: 0.37180356605387416
Energy: 0.37788064565516905
Energy: 0.4157787335897906
Energy: 0.3717786930963844
Energy: 0.4157787335897906
Energy: 0.3717786930963844
Energy: 0.4157787335897906
Energy: 0.3717786930956415
Energy: 0.39234313959512723
Energy: 0.4241071622939337
Energy: 0.39234313959512723
Energy: 0.42410716229319084
Energy: 0.3923431395943844
Energy: 0.4241071622939337
Energy: 0.3794005491457424
Energy: 0.37135129175688397
Energy: 0.37940054914648536
Energy: 0.37135129175688397
Energy: 0.37940054914648536
Energy: 0.37135129175688397
Energy: 0.41553332858139824
Energy: 0.4160792703764603
Energy: 0.41553332858214104
Energy: 0.4160792703764603
Energy: 0.41553332858139824
Energy: 0.4160792703764603
Energy: 0.3713713422971912
Energy: 0.39384141188444977
Energy: 0.3713713422971912
Energy: 0.39384141188519256
Energy: 0.3713713422971912
Energy: 0.39384141188519256
Energy: 0.3713388929322043
Energy: 0.39382431541875357
Energy: 0.3713388929322043
Energy: 0.39382431541949636
Energy: 0.3713388929314615
Energy: 0.39382431541949636
Energy: 0.41598541165665054
Energy: 0.4160704752545805
Energy: 0.41598541165739333
Energy: 0.4160704752545805
Energy: 0.41598541165739333
Energy: 0.4160704752545805

minimum gb energy = 0.3712934390885606 eV
minimum distance =  2.69870174697626 Angstroms
sigma value = 11


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

Energy: 0.5724160063224082
Energy: 0.758927867573601
Energy: 0.5724160063224082
Energy: 0.758927867573601
Energy: 0.5724160063224082
Energy: 0.758927867573601
Energy: 0.6397443946042906
Energy: 0.6312827085161685
Energy: 0.6397443945977609
Energy: 0.6312827085161685
Energy: 0.6397443946048346
Energy: 0.6312827085161685
Energy: 0.7700741995922546
Energy: 0.8178144452469261
Energy: 0.7700741995922546
Energy: 0.8178144452447496
Energy: 0.7700741995922546
Energy: 0.8178144452469261
Energy: 0.7911908604903986
Energy: 0.5418499380611583
Energy: 0.7911908604893103
Energy: 0.5418499380606142
Energy: 0.7911908604903986
Energy: 0.5418499380611583
Energy: 0.7471680254637418
Energy: 0.5262873058409279
Energy: 0.7471680254648302
Energy: 0.5262873058409279
Energy: 0.7471680254642861
Energy: 0.5262873058403836
Energy: 0.5509202744139412
Energy: 0.5355754985971694
Energy: 0.5509202744144853
Energy: 0.5355754985977134
Energy: 0.5509202744150294
Energy: 0.5355754985977134
Energy: 0.5165464747822095
Energy: 0.557961518993075
Energy: 0.5165464747816655
Energy: 0.5579615189908983
Energy: 0.5165464747816655
Energy: 0.5579615189908983
Energy: 0.6540266729889606
Energy: 0.5059996717609656
Energy: 0.6540266729922254
Energy: 0.5059996717609656
Energy: 0.6540266729922254
Energy: 0.5059996717604216
Energy: 0.6560764007705673
Energy: 0.5094998337639657
Energy: 0.6560764007972303
Energy: 0.5094998337650539
Energy: 0.6560764007983186
Energy: 0.5094998337645097
Energy: 0.5116631985174813
Energy: 0.7822513232766195
Energy: 0.5116631985163931
Energy: 0.7822513232673692
Energy: 0.5116631985174813
Energy: 0.7822513232755313
Energy: 0.5691897388387626
Energy: 0.7330081317503367
Energy: 0.5691897388360418
Energy: 0.7330081317487042
Energy: 0.569189738832777
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Energy: 0.7475674211893975
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Energy: 0.7475674211893975
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Energy: 0.7671967105811527
Energy: 0.5460365897067541
Energy: 0.7671967105806087
Energy: 0.5460365897067541
Energy: 0.7671967105811527
Energy: 0.5460365897067541
Energy: 0.7777696327709158
Energy: 0.8037328513457667
Energy: 0.7777696327698276
Energy: 0.8037328513452227
Energy: 0.7777696327703715
Energy: 0.8037328513435902
Energy: 0.6491722715106055
Energy: 0.6299649894016403
Energy: 0.64917226753413
Energy: 0.6299649894010961
Energy: 0.6491722700148793
Energy: 0.6299649894016403
Energy: 0.5488025975809243
Energy: 0.7619753507504382
Energy: 0.5488025975814684
Energy: 0.7619753507498941
Energy: 0.5488025975825567
Energy: 0.7619753507498941
Energy: 0.6142262853566838
Energy: 0.6339715247886196
Energy: 0.6142262853577721
Energy: 0.6339715247875313
Energy: 0.6142262853583162
Energy: 0.6339715247886196
Energy: 0.7904533839549907
Energy: 0.5813998801172997
Energy: 0.7904533839522699
Energy: 0.5813998801254621
Energy: 0.7904533839522699
Energy: 0.5813998801309034
Energy: 0.6827625249385528
Energy: 0.538470447821664
Energy: 0.6827625249450826
Energy: 0.5384704478222081
Energy: 0.6827625249396411
Energy: 0.538470447821664
Energy: 0.7467375581601341
Energy: 0.5451812282675579
Energy: 0.7467375581606782
Energy: 0.5451812282670139
Energy: 0.7467375581606782
Energy: 0.5451812282675579
Energy: 0.513708118384827
Energy: 0.5446696703896882
Energy: 0.5137081183853711
Energy: 0.5446696703842467
Energy: 0.5137081183859152
Energy: 0.5446696703885999
Energy: 0.5387351003484808
Energy: 0.5578437696460394
Energy: 0.5387351003506574
Energy: 0.5578437696433186
Energy: 0.5387351003522899
Energy: 0.5578437696487601
Energy: 0.6469960162459776
Energy: 0.6499465649902583
Energy: 0.6469960162486982
Energy: 0.6499465649902583
Energy: 0.6469960162448891
Energy: 0.6499465649908025
Energy: 0.6568200033311415
Energy: 0.6355549108170058
Energy: 0.6568200033322298
Energy: 0.6355549108164616
Energy: 0.6568200033316857
Energy: 0.6355549108159175
Energy: 0.5137463479560583
Energy: 0.7827524492101218
Energy: 0.5137463479560583
Energy: 0.7827524507433937
Energy: 0.5137463479560583
Energy: 0.7827524504790638
Energy: 1.042214186417621
Energy: 0.7183372025926384
Energy: 1.042214186417077
Energy: 0.7183372025948149
Energy: 1.0422141864159886
Energy: 0.7183372025937267

minimum gb energy = 0.5059996717604216 eV
minimum distance =  2.56817099481484 Angstroms
sigma value = 41


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

Energy: 0.6442767138386695
Energy: 0.5841877354031029
Energy: 0.6442767138390985
Energy: 0.584187735402674
Energy: 0.6442767138382407
Energy: 0.5841877354031029
Energy: 0.604208271602005
Energy: 0.5725243811534342
Energy: 0.6042082716028628
Energy: 0.5725243811512899
Energy: 0.6042082715998607
Energy: 0.5725243811478783
Energy: 0.7280676143578595
Energy: 0.6529285475970354
Energy: 0.728067614359146
Energy: 0.6529285475949106
Energy: 0.7280676143582885
Energy: 0.6529285475919084
Energy: 0.5965325989533402
Energy: 0.5623830671923133
Energy: 0.5965325989533402
Energy: 0.5623830671923133
Energy: 0.5965325989537692
Energy: 0.5623830671923133
Energy: 0.5679320097834022
Energy: 0.6040024463511061
Energy: 0.5679320097838312
Energy: 0.6040024463511061
Energy: 0.5679320097842601
Energy: 0.6040024463511061
Energy: 0.5940013774441116
Energy: 0.5803700745814062
Energy: 0.5940013774419672
Energy: 0.5803700745839795
Energy: 0.594001377442825
Energy: 0.5803700745771174
Energy: 0.5648539499456169
Energy: 0.603837421890787
Energy: 0.5648539499460457
Energy: 0.562832146139029
Energy: 0.5648539499456169
Energy: 0.5628282956949905
Energy: 0.5451639609047234
Energy: 0.5623488538754854
Energy: 0.5451639609047234
Energy: 0.5623488538759143
Energy: 0.5451639609047234
Energy: 0.5623488538750566
Energy: 0.5754204849076667
Energy: 0.6018369168810054
Energy: 0.5754204849072379
Energy: 0.6018369168810054
Energy: 0.5754204849072379
Energy: 0.6018369168814344
Energy: 0.5934761810030523
Energy: 0.6069662610691666
Energy: 0.5934761810017658
Energy: 0.6069662610361625
Energy: 0.5934761810017658
Energy: 0.6069662610254406
Energy: 0.5982854331242435
Energy: 0.6162502423452242
Energy: 0.5982854331238147
Energy: 0.6162502423409354
Energy: 0.5982854331238147
Energy: 0.6162502423447953
Energy: 0.5416049977311979
Energy: 0.5644226275801192
Energy: 0.5416049977316267
Energy: 0.5644226275809769
Energy: 0.5416049977316267
Energy: 0.5644226275822636
Energy: 0.5442775923598977
Energy: 0.5623434468712852
Energy: 0.5442775923603265
Energy: 0.5623434468708565
Energy: 0.5442775923611843
Energy: 0.5623434468712852
Energy: 0.5389993460557844
Energy: 0.6087232372379388
Energy: 0.5389993460566422
Energy: 0.6087232372417986
Energy: 0.5389993460562132
Energy: 0.6087232372387964
Energy: 0.5980846680431234
Energy: 0.5805260719742031
Energy: 0.5980846680435524
Energy: 0.5805260719729165
Energy: 0.5980846680435524
Energy: 0.5805260719772053
Energy: 0.5323597782137238
Energy: 0.6100813578202865
Energy: 0.5323597782132949
Energy: 0.6100813578194287
Energy: 0.5323597782141526
Energy: 0.6100813578164266
Energy: 0.5505727396633009
Energy: 0.5624277689721304
Energy: 0.5505727396628721
Energy: 0.5624277689729882
Energy: 0.5505727396624432
Energy: 0.5624277689725593
Energy: 0.5677646482873876
Energy: 0.6539126675011202
Energy: 0.5677646482873876
Energy: 0.6539126674976893
Energy: 0.5677646482869586
Energy: 0.6539126674955449
Energy: 0.6096008033468368
Energy: 0.5725412744798007
Energy: 0.609600803346408
Energy: 0.5725412744806584
Energy: 0.6096008033472656
Energy: 0.5725412744815163
Energy: 0.5947287545025134
Energy: 0.5658492298098349
Energy: 0.5947287545016556
Energy: 0.5658492298076905
Energy: 0.5947287545020844
Energy: 0.5658492298076905
Energy: 0.5520185498620408
Energy: 0.572946635890771
Energy: 0.5520185498620408
Energy: 0.5729466358929155
Energy: 0.5520185498616118
Energy: 0.5729466358864823
Energy: 0.5762506073625318
Energy: 0.7916609388395071
Energy: 0.5762506073681072
Energy: 0.7916609388395071
Energy: 0.5762506073659628
Energy: 0.7916609388433671
Energy: 0.5964995765728969
Energy: 0.5673486204259237
Energy: 0.5964995765716102
Energy: 0.5673486204259237
Energy: 0.5964995765724679
Energy: 0.5673486204259237
Energy: 0.5314702483054343
Energy: 0.6089596098103461
Energy: 0.5314702483045765
Energy: 0.6089596098163309
Energy: 0.5314702483045765
Energy: 0.6089596098129193
Energy: 0.531486453594646
Energy: 0.5799029215759679
Energy: 0.5314864535942172
Energy: 0.5799029215781123
Energy: 0.5314864535937882
Energy: 0.5799029215824011
Energy: 0.5627736970751295
Energy: 0.681345621118933
Energy: 0.5627736970747005
Energy: 0.6813456211176464
Energy: 0.5627736970755582
Energy: 0.6813456211176464
Energy: 0.5449259892499665
Energy: 0.5674769094495208
Energy: 0.5449259892491087
Energy: 0.567476909448663
Energy: 0.5449259892491087
Energy: 0.567476909448663
Energy: 0.5744424995394447
Energy: 0.6074012578032315
Energy: 0.5744424995390158
Energy: 0.6074012578028025
Energy: 0.5744424995390158
Energy: 0.6074012578032315
Energy: 0.5937849197942258
Energy: 0.5736464562782045
Energy: 0.593784919793368
Energy: 0.5736464562790623
Energy: 0.5937849197937969
Energy: 0.5736464562790623
Energy: 0.6417118822592097
Energy: 0.5729847265064633
Energy: 0.6417118822600676
Energy: 0.5729847265047477
Energy: 0.641711882258781
Energy: 0.5729847265030322
Energy: 0.5420304392462638
Energy: 0.5643307063044609
Energy: 0.5420304392466927
Energy: 0.5643307063083207
Energy: 0.5420304392471216
Energy: 0.5643307063113229
Energy: 0.5763422420213242
Energy: 0.5953267494071821
Energy: 0.5763422420204665
Energy: 0.5953267494071821
Energy: 0.5763422420213242
Energy: 0.5953267494071821
Energy: 0.5315164191508216
Energy: 0.7728537124840714
Energy: 0.5315164191508216
Energy: 0.7728537124845002
Energy: 0.5315164191503927
Energy: 0.7728537124845002

minimum gb energy = 0.5314702483045765 eV
minimum distance =  2.55923562193332 Angstroms
sigma value = 33


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

Energy: 0.6577397174873768
Energy: 0.6042698313063093
Energy: 0.657739717486173
Energy: 0.6042698313060082
Energy: 0.6577397174876779
Energy: 0.6042698313060082
Energy: 0.6700333529589069
Energy: 0.5759513685043325
Energy: 0.6700333529589069
Energy: 0.5759513685037304
Energy: 0.670033352957402
Energy: 0.5759513685040314
Energy: 0.6277799926219425
Energy: 0.6730175758273002
Energy: 0.6277799926234474
Energy: 0.6730175758266982
Energy: 0.6277799926219425
Energy: 0.6730175758269991
Energy: 0.6061404438390433
Energy: 0.5911122428944521
Energy: 0.6061404438390433
Energy: 0.5911122428944521
Energy: 0.6061404438390433
Energy: 0.5911122428941511
Energy: 0.6108749490967426
Energy: 0.576686672035371
Energy: 0.6108749490964416
Energy: 0.576686672036274
Energy: 0.6108749490952375
Energy: 0.5766866720329631
Energy: 0.6216394134387442
Energy: 0.6027645905979515
Energy: 0.6216394134378412
Energy: 0.6027645905979515
Energy: 0.6216394134396472
Energy: 0.6027645905973494
Energy: 0.5962986421530884
Energy: 0.6472950269557926
Energy: 0.5962986421524864
Energy: 0.6472950269554915
Energy: 0.5962986421527875
Energy: 0.6472950269551905
Energy: 0.6213732166972039
Energy: 0.6219272573930328
Energy: 0.6213732166987088
Energy: 0.6219272573921298
Energy: 0.6213732166987088
Energy: 0.6219272573915279
Energy: 0.5781859133365096
Energy: 0.6227234260089788
Energy: 0.5781859133389176
Energy: 0.6227234260110858
Energy: 0.5781859133401215
Energy: 0.6227234260092798
Energy: 0.6651046025178374
Energy: 0.5885947462920321
Energy: 0.6651046025190415
Energy: 0.5885947462914302
Energy: 0.6651046025253623
Energy: 0.5885947462911292
Energy: 0.6253427299588077
Energy: 0.6220543201644724
Energy: 0.6253427299588077
Energy: 0.6220543201647734
Energy: 0.6253427299588077
Energy: 0.6220543201647734
Energy: 0.6061846862471513
Energy: 0.5914148326894687
Energy: 0.6061846862516662
Energy: 0.5914148326891677
Energy: 0.606184686253773
Energy: 0.5914148326891677
Energy: 0.6230890002171036
Energy: 0.5737515424939073
Energy: 0.6230890002155985
Energy: 0.5737515424924023
Energy: 0.6230890002162006
Energy: 0.5737515424933053
Energy: 0.6217265351867607
Energy: 0.62105385359206
Energy: 0.6217265351864597
Energy: 0.621053853592361
Energy: 0.6217265351876636
Energy: 0.621053853592361
Energy: 0.6335641049751165
Energy: 0.5930663402315306
Energy: 0.6335641049742136
Energy: 0.5930663402312296
Energy: 0.6335641049748155
Energy: 0.5930663402318043
Energy: 0.5881669114990185
Energy: 0.6720006927014797
Energy: 0.5881669114981155
Energy: 0.6720006926999748
Energy: 0.5881669114981155
Energy: 0.6720006926942559
Energy: 0.5770502636050733
Energy: 0.575540664594643
Energy: 0.5770502636047723
Energy: 0.575540664594643
Energy: 0.5770502636041703
Energy: 0.575540664594944
Energy: 0.586114713495871
Energy: 0.6063440847962959
Energy: 0.586114713494968
Energy: 0.6063440848008107
Energy: 0.5861147134940651
Energy: 0.6063440847978009
Energy: 0.6765926143000305
Energy: 0.6044736606876713
Energy: 0.6765926142994285
Energy: 0.6044736606891762
Energy: 0.6765926142997295
Energy: 0.6044736606873703
Energy: 0.5737614439311637
Energy: 0.5996179181604394
Energy: 0.5737614439302607
Energy: 0.5996179181613424
Energy: 0.5737614439305618
Energy: 0.5996179181589345
Energy: 0.5767545560080514
Energy: 0.622760344850602
Energy: 0.5767545560068474
Energy: 0.6227603448484951
Energy: 0.5767545560062454
Energy: 0.6227603448503011
Energy: 0.5711718814707134
Energy: 0.6511937111153651
Energy: 0.5711718814701386
Energy: 0.6511937111165691
Energy: 0.5711718814701386
Energy: 0.651193711116268
Energy: 0.6333354135134542
Energy: 0.5619412152411887
Energy: 0.6333354135131533
Energy: 0.5619412152399846
Energy: 0.6333354135134542
Energy: 0.5619412152408876
Energy: 0.5745350227914148
Energy: 0.6062277186654432
Energy: 0.5745350227899098
Energy: 0.6062277186654432
Energy: 0.5745350227908127
Energy: 0.6062277186651421
Energy: 0.5741515217102838
Energy: 0.5753055228541801
Energy: 0.5741515217102838
Energy: 0.5753055228541801
Energy: 0.5741515217102838
Energy: 0.5753055228544811
Energy: 0.5980068831103772
Energy: 0.6213479289805308
Energy: 0.5980068831115812
Energy: 0.6213479289829388
Energy: 0.5980068831100763
Energy: 0.6213479289829388
Energy: 0.6508823452930149
Energy: 0.6003165794235501
Energy: 0.6508823452936169
Energy: 0.6003165794220452
Energy: 0.6508823452936169
Energy: 0.6003165794238512
Energy: 0.6224331618418997
Energy: 0.5765292835901425
Energy: 0.6224331618409967
Energy: 0.5765292835886375
Energy: 0.6224331618446086
Energy: 0.5765292835889385
Energy: 0.5997783817372259
Energy: 0.578924478821043
Energy: 0.5997783817411387
Energy: 0.578924478821043
Energy: 0.5997783817453527
Energy: 0.5789244788216451
Energy: 0.5841237833064642
Energy: 0.665112950137305
Energy: 0.5841237833058622
Energy: 0.665112950137305
Energy: 0.5841237833052603
Energy: 0.665112950137305
Energy: 0.6041148227109068
Energy: 0.5819173257368103
Energy: 0.604114822705188
Energy: 0.5819173257362084
Energy: 0.6041148227130138
Energy: 0.5819173257362084
Energy: 0.5745018934028108
Energy: 0.6353411986108662
Energy: 0.5745018934019077
Energy: 0.6353411986003316
Energy: 0.5745018934022087
Energy: 0.6353411985964186
Energy: 0.5735672968027583
Energy: 0.5887788073244357
Energy: 0.5735672968030593
Energy: 0.5887788073256396
Energy: 0.5735672968033603
Energy: 0.5887788073223288
Energy: 0.6292037900454828
Energy: 0.6385461412072149
Energy: 0.6292037900436768
Energy: 0.6385461412072149
Energy: 0.629203790042473
Energy: 0.6385461412072149
Energy: 0.6291479834138044
Energy: 0.6385353439595648
Energy: 0.6291479834144065
Energy: 0.6385353439598658
Energy: 0.6291479834138044
Energy: 0.6385353439604677
Energy: 0.5735250989626365
Energy: 0.5887721482596817
Energy: 0.5735250989611316
Energy: 0.5887721482599827
Energy: 0.5735250989620346
Energy: 0.5887721482581768
Energy: 0.5744410149806307
Energy: 0.6354558743135583
Energy: 0.5744410149800288
Energy: 0.6354558743147622
Energy: 0.5744410149806307
Energy: 0.6354558743391151
Energy: 0.6041601452445595
Energy: 0.5819309495131523
Energy: 0.6041601452457636
Energy: 0.5819309495128513
Energy: 0.6041601452457636
Energy: 0.5819309495131523
Energy: 0.5841393877123907
Energy: 0.6649132125826612
Energy: 0.5841393877114878
Energy: 0.6649132125826612
Energy: 0.5841393877120897
Energy: 0.6649132125817583
Energy: 0.5998397248069672
Energy: 0.5791730886745033
Energy: 0.5998397248048603
Energy: 0.5791730886732993
Energy: 0.5998397248099772
Energy: 0.5791730886742023
Energy: 0.6223861162675182
Energy: 0.5765841123283597
Energy: 0.6223861162696251
Energy: 0.5765841123277852
Energy: 0.6223861162702271
Energy: 0.5765841123277852
Energy: 0.6509872471729
Energy: 0.6003366130886665
Energy: 0.6509872471747059
Energy: 0.6003366130886665
Energy: 0.6509872471744049
Energy: 0.6003366130886665
Energy: 0.5979843704098401
Energy: 0.6214159753145523
Energy: 0.5979843704101411
Energy: 0.6214159753151542
Energy: 0.5979843704113451
Energy: 0.6214159753172612
Energy: 0.5741261972019536
Energy: 0.5752763148431467
Energy: 0.5741261972043614
Energy: 0.5752763148431467
Energy: 0.5741261972028565
Energy: 0.5752763148434475
Energy: 0.5744926206553519
Energy: 0.6050453290973038
Energy: 0.5744926206565558
Energy: 0.6050453290979059
Energy: 0.5744926206574589
Energy: 0.6050453290901074
Energy: 0.6333603638662267
Energy: 0.5619962828302889
Energy: 0.6333603638662267
Energy: 0.5619962828299879
Energy: 0.6333603638671297
Energy: 0.5619962828308909
Energy: 0.5711726692638489
Energy: 0.6508574091698699
Energy: 0.5711726692629459
Energy: 0.6508574091698699
Energy: 0.5711726692632468
Energy: 0.6508574091701709

minimum gb energy = 0.5619412152399846 eV
minimum distance =  2.63906225373657 Angstroms
sigma value = 67


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

Energy: 0.719119311068267
Energy: 0.6670922353369989
Energy: 0.7191193110668497
Energy: 0.6670922353365875
Energy: 0.719119311068267
Energy: 0.6670922353365875
Energy: 0.6655932167152636
Energy: 0.5803740826583678
Energy: 0.6655932167172751
Energy: 0.580374082657362
Energy: 0.6655932167158579
Energy: 0.5803740826585736
Energy: 0.9514879615367106
Energy: 0.7588647848326008
Energy: 0.6617110458883347
Energy: 0.7588647848330123
Energy: 0.6617110458869175
Energy: 0.7588647848326008
Energy: 0.6655390351611985
Energy: 0.5804030402525023
Energy: 0.6655390351601926
Energy: 0.5804030402504908
Energy: 0.6655390351606042
Energy: 0.5804030402492792
Energy: 0.719119311066644
Energy: 0.6670922353363818
Energy: 0.7191193110690671
Energy: 0.6670922353355817
Energy: 0.7191193110652495
Energy: 0.6670922353363818
Energy: 0.6655932167136406
Energy: 0.580374082657362
Energy: 0.6655932167122461
Energy: 0.5803740826569506
Energy: 0.6655932167152636
Energy: 0.5803740826565619
Energy: 0.5931904372608519
Energy: 0.7588647848314122
Energy: 0.5931904372674811
Energy: 0.7588647848314122
Energy: 0.951487961532093
Energy: 0.758864784831595

minimum gb energy = 0.5803740826565619 eV
minimum distance =  2.64628635809296 Angstroms
sigma value = 3


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

Energy: 0.8490066764042186
Energy: 0.7693904205359232
Energy: 0.8490066764009336
Energy: 0.7693904205364707
Energy: 0.8490066764023023
Energy: 0.7693904205364707
Energy: 0.7829261011658664
Energy: 0.6705485184164308
Energy: 0.782926101167235
Energy: 0.6705485184169783
Energy: 0.7829261011661401
Energy: 0.6705485184153358
Energy: 0.7282359451076339
Energy: 0.8277550428997095
Energy: 0.7282359451087289
Energy: 0.827755042899162
Energy: 0.7282359451087289
Energy: 0.8277550428999833
Energy: 0.711354506516907
Energy: 0.6588883363021657
Energy: 0.7113545065196445
Energy: 0.6588883363016184
Energy: 0.7113545065204658
Energy: 0.7120714266216797
Energy: 0.7762316497774057
Energy: 0.7346549417765926
Energy: 0.7762316497754895
Energy: 0.6776510445979707
Energy: 0.7762316497757632
Energy: 0.6778240406119708
Energy: 0.7235931008565726
Energy: 0.7177784810500828
Energy: 0.7235931008557513
Energy: 0.7177784810511778
Energy: 0.72359310085712
Energy: 0.7177784810492617
Energy: 0.7769162561007473
Energy: 0.8441555761126333
Energy: 0.7769162560993786
Energy: 0.8441555761129073
Energy: 0.7769162560996523
Energy: 0.8441555761126333
Energy: 0.6835630542827048
Energy: 0.6578882658254506
Energy: 0.683563054281336
Energy: 0.6554541712933293
Energy: 0.6835630542818836
Energy: 0.6520165193451678
Energy: 0.7538789193629896
Energy: 0.6611520597058308
Energy: 0.7538789193629896
Energy: 0.6617968557849955
Energy: 0.7538789193621682
Energy: 0.6586330386350376
Energy: 0.6838382282361956
Energy: 0.7177552157756472
Energy: 0.6894383314481091
Energy: 0.7177552157753734
Energy: 0.6893851528445596
Energy: 0.7177552157753734
Energy: 0.7347384155026268
Energy: 0.8243967407567506
Energy: 0.734738415497973
Energy: 0.8243967407564768
Energy: 0.7347384154996156
Energy: 0.8243967407564768
Energy: 0.6945219699704731
Energy: 0.6705095948002083
Energy: 0.694521969967188
Energy: 0.6704144157749273
Energy: 0.6945219699691043
Energy: 0.7205477329740487
Energy: 0.7418227693854125
Energy: 0.6609543368438665
Energy: 0.7423286615547053
Energy: 0.6612795893505097
Energy: 0.7425165246396237
Energy: 0.6614966222186905
Energy: 0.6771428080135243
Energy: 0.6978437063563248
Energy: 0.6772982941911221
Energy: 0.6978437063448274
Energy: 0.6771129438875318
Energy: 0.6978437063377101
Energy: 0.789409237560263
Energy: 0.6936870484086328
Energy: 0.7894092375586205
Energy: 0.6936870484080853
Energy: 0.7894092375588944
Energy: 0.6936870484089065
Energy: 0.7270421881784582
Energy: 0.7489459580754373
Energy: 0.727042188179827
Energy: 0.7489459580759849
Energy: 0.7270421881803745
Energy: 0.8069298165571388
Energy: 0.7300796959378211
Energy: 0.672159368548658
Energy: 0.7304664719697447
Energy: 0.6721593685456468
Energy: 0.7144988865713804
Energy: 0.6721593685456468
Energy: 0.6735790807798371
Energy: 0.6978280262786122
Energy: 0.6729640552339963
Energy: 0.6978280262799809
Energy: 0.6736062376152904
Energy: 0.6978280262810759
Energy: 0.7769905275657469
Energy: 0.7071307209602589
Energy: 0.7769905275665683
Energy: 0.707130720959985
Energy: 0.7769905275657469
Energy: 0.7071307209594375
Energy: 0.6945702983468638
Energy: 0.7109581110911459
Energy: 0.6945702983463162
Energy: 0.710958111095526
Energy: 0.6945702983460426
Energy: 0.7109581110914197
Energy: 0.7747663279616618
Energy: 0.7449206421165162
Energy: 0.7747663198744351
Energy: 0.744920642105865
Energy: 0.7747662859674411
Energy: 0.7449206421154211
Energy: 0.677443114893473
Energy: 0.773970719798243
Energy: 0.677443114893473
Energy: 0.7739707198059077
Energy: 0.6774431148923781
Energy: 0.7739707197957791
Energy: 0.7129494299992406
Energy: 0.6573937676535555
Energy: 0.7129494299956818
Energy: 0.6577097734227894
Energy: 0.7129494299989668
Energy: 0.657712142886493
Energy: 0.6790699106857072
Energy: 0.7011501304654354
Energy: 0.6790699106870759
Energy: 0.7011501304610556
Energy: 0.6790699106862547
Energy: 0.701150130462698
Energy: 0.7390260917797514
Energy: 0.7449246631944054
Energy: 0.7392299573359444
Energy: 0.744924663196869
Energy: 0.7393037527873791
Energy: 0.7449246631924891
Energy: 0.6944783033468337
Energy: 0.7586712648501659
Energy: 0.6944783033460125
Energy: 0.7586712648504395
Energy: 0.694478303345465
Energy: 0.7586712648496183
Energy: 0.715581651879166
Energy: 0.6838709099163003
Energy: 0.7155816518783447
Energy: 0.6832703566015983
Energy: 0.7155816518794397
Energy: 0.6838965465312171
Energy: 0.6976554203204569
Energy: 0.6857338942598494
Energy: 0.6984742842053745
Energy: 0.6857338942590282
Energy: 0.6984997671880939
Energy: 0.6857338942593021
Energy: 0.7268459078649777
Energy: 0.6717238112287216
Energy: 0.7294032226524685
Energy: 0.6717238112268055
Energy: 0.7298986068966139
Energy: 0.6717238112279004
Energy: 0.7484431725569543
Energy: 0.725265631780529
Energy: 0.7484431725566805
Energy: 0.7252656317799815
Energy: 0.7484431725575018
Energy: 0.7252656317807777
Energy: 0.7645755322643707
Energy: 0.7143856910465654
Energy: 0.7645755322712143
Energy: 0.7143856910468389
Energy: 0.764575532266287
Energy: 0.7143856910471128
Energy: 0.7059033194564577
Energy: 0.6715214618294808
Energy: 0.7082808921074029
Energy: 0.6715214618297545
Energy: 0.7091410479654172
Energy: 0.6715214618297545
Energy: 0.7198057113987162
Energy: 0.6677397172898086
Energy: 0.7180371648770905
Energy: 0.6691178140040736
Energy: 0.7193960010572527
Energy: 0.6693931768288036
Energy: 0.7265335076415471
Energy: 0.6922742135936067
Energy: 0.7265335076379884
Energy: 0.6922735622482021
Energy: 0.7265335076388096
Energy: 0.6923926878704952
Energy: 0.6931598104857357
Energy: 0.7368826279809558
Energy: 0.6931598104849146
Energy: 0.7368826279812295
Energy: 0.6931598104871045
Energy: 0.7368826279815033
Energy: 0.7223275367063542
Energy: 0.7178901615371439
Energy: 0.7228553692305805
Energy: 0.7178901615365963
Energy: 0.724265694404642
Energy: 0.7178901615355014
Energy: 0.7050605313037607
Energy: 0.6931551897418192
Energy: 0.7050605313021182
Energy: 0.6523480538990512
Energy: 0.7050605313015706
Energy: 0.6525134800448071
Energy: 0.726543210540142
Energy: 0.6566735147573679
Energy: 0.7265432105420582
Energy: 0.6565474325625442
Energy: 0.7265432105423318
Energy: 0.6565546280357499
Energy: 0.6528617207113719
Energy: 0.7804371003859107
Energy: 0.6528617207116456
Energy: 0.7804371003856371
Energy: 0.6528617207113719
Energy: 0.7804371003856371
Energy: 0.7269415898536143
Energy: 0.7180834744122948
Energy: 0.7270614050712605
Energy: 0.7180834744101048
Energy: 0.7268839896199905
Energy: 0.7180834744103786
Energy: 0.6964943706598131
Energy: 0.6903896254035495
Energy: 0.6964943706603607
Energy: 0.6889924774502082
Energy: 0.6964943706603607
Energy: 0.6900246267074143
Energy: 0.8717974456857109
Energy: 0.6588315994575062
Energy: 0.8717974456843423
Energy: 0.6588315994572325
Energy: 0.8717974456848897
Energy: 0.6588315994567099
Energy: 0.6673512023253875
Energy: 0.697754556505616
Energy: 0.6673202539440638
Energy: 0.6977545565061635
Energy: 0.6436359202244697
Energy: 0.697754556506711
Energy: 0.6994341512649476
Energy: 0.6717710205401224
Energy: 0.6989835887115526
Energy: 0.6717710205412173
Energy: 0.6983112857084711
Energy: 0.6717710205417649
Energy: 0.7280784158104961
Energy: 0.7409963684713867
Energy: 0.7280784158113174
Energy: 0.7420431723963484
Energy: 0.7280784158107699
Energy: 0.7443066363044604
Energy: 0.8077006870556473
Energy: 0.6695774361003074
Energy: 0.8077006870561948
Energy: 0.66957743609976
Energy: 0.8077006870561948
Energy: 0.66957743609976
Energy: 0.652726825950462
Energy: 0.6974898656616554
Energy: 0.6524387827921531
Energy: 0.6974898656605605
Energy: 0.6529816272328224
Energy: 0.697489865658918
Energy: 0.7253095324453052
Energy: 0.6606453951320408
Energy: 0.7238364334734213
Energy: 0.6604179380106041
Energy: 0.7245517469231217
Energy: 0.6605485172841653
Energy: 0.6959448470850683
Energy: 0.669176771774975
Energy: 0.6959448470847946
Energy: 0.6677405175039574
Energy: 0.6959448470842471
Energy: 0.6682158645012892
Energy: 0.7586888667910298
Energy: 0.7173606343259027
Energy: 0.7586888667902085
Energy: 0.7173606343267239
Energy: 0.7586888667904823
Energy: 0.7173606343261764
Energy: 0.6910237500087979
Energy: 0.7167181035356012
Energy: 0.6911884994567409
Energy: 0.7167181035372436
Energy: 0.6917090008521866
Energy: 0.7167181035366961

minimum gb energy = 0.6436359202244697 eV
minimum distance =  2.6175550203101 Angstroms
sigma value = 81


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

Energy: 0.7549416465618993
Energy: 0.8324236447001495
Energy: 0.7551480491468967
Energy: 0.8324236447016524
Energy: 0.7530187458584796
Energy: 0.8324236447024039
Energy: 0.8146556445975599
Energy: 0.7981645356691944
Energy: 0.8146556445968084
Energy: 0.7981645356680671
Energy: 0.8146556446024441
Energy: 0.7981645356680671
Energy: 0.7432868410054552
Energy: 0.6598166812595363
Energy: 0.7431992972556731
Energy: 0.6598166812591607
Energy: 0.7432868410058308
Energy: 0.659816681258785
Energy: 0.7534537005521921
Energy: 0.783366397327814
Energy: 0.7534537005518163
Energy: 0.7833663948698667
Energy: 0.7534537005518163
Energy: 0.7833663914452619
Energy: 0.810434761642895
Energy: 0.7131497384133662
Energy: 0.8104347613184159
Energy: 0.7131497384107364
Energy: 0.8104347614288241
Energy: 0.7131497384103606
Energy: 0.78292694611684
Energy: 0.751815256638175
Energy: 0.7829269461202214
Energy: 0.751815256636672
Energy: 0.7829269461190944
Energy: 0.7518152566351692
Energy: 0.7822344201970374
Energy: 0.7728252836677626
Energy: 0.7822352454844861
Energy: 0.7728252836707683
Energy: 0.7822344201951588
Energy: 0.7728252836730224
Energy: 0.8126562968497736
Energy: 0.800688649581353
Energy: 0.8126572128176899
Energy: 0.8006886495832315
Energy: 0.8126562463696351
Energy: 0.8006886495847343
Energy: 0.7019605395414218
Energy: 0.6293932244756079
Energy: 0.7129909541680188
Energy: 0.6504047631528782
Energy: 0.7134590474345489
Energy: 0.6314173274828154
Energy: 0.7021837105220848
Energy: 0.7932005283045189
Energy: 0.7035830935389652
Energy: 0.7932005283022646
Energy: 0.6932810531394605
Energy: 0.7932005283022646
Energy: 0.8257063670521334
Energy: 0.8201192535155001
Energy: 0.825706367054012
Energy: 0.8201192535124944
Energy: 0.8257063670536364
Energy: 0.8201192535132457
Energy: 0.7281791865149766
Energy: 0.8003155772082647
Energy: 0.7281791865194852
Energy: 0.8003155772075132
Energy: 0.728179186517231
Energy: 0.8003155772067617
Energy: 0.8104986730040872
Energy: 0.783281039610069
Energy: 0.8104986730040872
Energy: 0.7832810396183345
Energy: 0.8104986730025842
Energy: 0.7832810396142017
Energy: 0.6619200507949599
Energy: 0.6625231419903747
Energy: 0.662086112187695
Energy: 0.6625231419918775
Energy: 0.6623748199469418
Energy: 0.6625231419915018
Energy: 0.7988246560776836
Energy: 0.7408101893445885
Energy: 0.7988246560780593
Energy: 0.7408101893483457
Energy: 0.7988246560769323
Energy: 0.7408101893445885
Energy: 0.8125296821008899
Energy: 0.7222480331979279
Energy: 0.8125296400040654
Energy: 0.7222480331949221
Energy: 0.8125296444077265
Energy: 0.7222480331952981
Energy: 0.8793335735457402
Energy: 0.7728353683328033
Energy: 0.879549218921071
Energy: 0.7728353683301733
Energy: 0.8793335602780749
Energy: 0.7728353683301733
Energy: 0.7423567906793866
Energy: 0.9160664219778949
Energy: 0.7423687930756244
Energy: 0.9160664219778949
Energy: 0.7423567906850221
Energy: 0.9160664219786463
Energy: 0.6590417237606225
Energy: 0.7157198036526033
Energy: 0.6590417237613739
Energy: 0.715719803663499
Energy: 0.6590417237625011
Energy: 0.7157198036668805
Energy: 0.7833910451981028
Energy: 0.6589838243142102
Energy: 0.7833892008042829
Energy: 0.6591547430126754
Energy: 0.7833834936706886
Energy: 0.6569004741361067
Energy: 0.711676231907777
Energy: 0.812138383660121
Energy: 0.7116762319058983
Energy: 0.8121369583880059
Energy: 0.7116762319070257
Energy: 0.8121287151743732
Energy: 0.8175374842290417
Energy: 0.8194995745772554
Energy: 0.7276099242848652
Energy: 0.8194995745772554
Energy: 0.8175374842271632
Energy: 0.8194995745772554
Energy: 0.8172113513197222
Energy: 0.6655762175533122
Energy: 0.7278345482033914
Energy: 0.6655762175503237
Energy: 0.8172113513178436
Energy: 0.6655762175499479
Energy: 0.810412587993942
Energy: 0.784876951332095
Energy: 0.8104125857376672
Energy: 0.7848769513317194
Energy: 0.8104125856974831
Energy: 0.7848769513324707
Energy: 0.6622158265154728
Energy: 0.7483993159093996
Energy: 0.6628769354482682
Energy: 0.7291263997213397
Energy: 0.6629819011205116
Energy: 0.7292944883251947
Energy: 0.7987310374360077
Energy: 0.813045935651676
Energy: 0.7987310374360077
Energy: 0.8136364672179811
Energy: 0.7987310374348976
Energy: 0.8132127733993509
Energy: 0.7427572913730769
Energy: 0.7491790252151906
Energy: 0.7427572913749555
Energy: 0.7491790252151906
Energy: 0.7427572913715742
Energy: 0.7491790252151906
Energy: 0.8828738604703857
Energy: 0.7680049477031972
Energy: 0.884357757219037
Energy: 0.7680049477031972
Energy: 0.8828738573582373
Energy: 0.7680049477043241
Energy: 0.8120132043801639
Energy: 0.8055304227962181
Energy: 0.812075814143217
Energy: 0.8055304228022293
Energy: 0.8120130559843031
Energy: 0.8055304228018536
Energy: 0.6613648399305705
Energy: 0.7273453787487543
Energy: 0.661364839931322
Energy: 0.7273453787457655
Energy: 0.6613648399320564
Energy: 0.72734537874539
Energy: 0.783121005244853
Energy: 0.7973603416837591
Energy: 0.7831210047243371
Energy: 0.7973603416811293
Energy: 0.7831210040671301
Energy: 0.7973603416811293
Energy: 0.7205209939055126
Energy: 0.813845036220383
Energy: 0.720520993903634
Energy: 0.8138450360772875
Energy: 0.7205209939055126
Energy: 0.8138450361463846
Energy: 0.7286710793456195
Energy: 0.7834050045496965
Energy: 0.7286710793471222
Energy: 0.7834050045496965
Energy: 0.7286710793486252
Energy: 0.7834050045519508
Energy: 0.7270904387697954
Energy: 0.6642726264056141
Energy: 0.7270904387728011
Energy: 0.6642726264074926
Energy: 0.7270904387746796
Energy: 0.6642726264071169
Energy: 0.747873129409317
Energy: 0.9200471254803191
Energy: 0.7493032771526124
Energy: 0.9200471254821976
Energy: 0.7497359015046281
Energy: 0.9200471254825732
Energy: 0.6982087065779288
Energy: 0.7499897444272644
Energy: 0.6979323021245045
Energy: 0.7497664818715616
Energy: 0.6710527521597055
Energy: 0.7498538530508243
Energy: 0.8121578476314883
Energy: 0.7222261598512201
Energy: 0.8121577838296162
Energy: 0.7222261598497172
Energy: 0.8121578116215181
Energy: 0.7222261598504687
Energy: 0.8195323210184992
Energy: 0.753581003305804
Energy: 0.8195323210192507
Energy: 0.7535810033106882
Energy: 0.8195323210203778
Energy: 0.7535810033106882

minimum gb energy = 0.6293932244756079 eV
minimum distance =  2.49785288856586 Angstroms
sigma value = 43


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

Energy: 0.8078515054164462
Energy: 0.763057824058756
Energy: 0.8078515054164462
Energy: 0.763057824058756
Energy: 0.8078515054196767
Energy: 0.763057824058756
Energy: 0.7261499723273916
Energy: 0.6755851628138514
Energy: 0.7261499723278529
Energy: 0.67558516281339
Energy: 0.7261499723278529
Energy: 0.6755851628138514
Energy: 0.8083541123122251
Energy: 0.8120762920613256
Energy: 0.8083541123117635
Energy: 0.812076292060864
Energy: 0.8083541123117635
Energy: 0.8120762920590181
Energy: 0.6947223400762195
Energy: 0.7023778116286842
Energy: 0.6947223400766811
Energy: 0.7023777358302815
Energy: 0.6947223400766811
Energy: 0.7023776518873378
Energy: 0.7567621967518477
Energy: 0.7029954957931105
Energy: 0.7567621967504633
Energy: 0.6762202078738819
Energy: 0.7567621967500018
Energy: 0.6762342148904356
Energy: 0.689996709979364
Energy: 0.727960110558723
Energy: 0.689941855236138
Energy: 0.727960110558723
Energy: 0.6899934774864063
Energy: 0.727960110558723
Energy: 0.7952979270258919
Energy: 0.8577900871848121
Energy: 0.7952979270258919
Energy: 0.8577900871843506
Energy: 0.7952979270263534
Energy: 0.8577900871848121
Energy: 0.7174284577612945
Energy: 0.6615671718301995
Energy: 0.7174284577608332
Energy: 0.6616291291649293
Energy: 0.7174284577622175
Energy: 0.6614289217391643
Energy: 0.6932511620268623
Energy: 0.6619301409272166
Energy: 0.7339359859070407
Energy: 0.6619301409272166
Energy: 0.7346552454931474
Energy: 0.6619301409276781
Energy: 0.6815030876135594
Energy: 0.7306018744959847
Energy: 0.6815030673356637
Energy: 0.7306018744969076
Energy: 0.6815030256801695
Energy: 0.7306018744982921
Energy: 0.8654075015467368
Energy: 0.7055068142101664
Energy: 0.8654075015467368
Energy: 0.7055068142101664
Energy: 0.8654075015462755
Energy: 0.7055068142092434
Energy: 0.7169324788479177
Energy: 0.6953017573955114
Energy: 0.7169324788479177
Energy: 0.7342373912458254
Energy: 0.7169324788469947
Energy: 0.7340594693006814
Energy: 0.7545483503609901
Energy: 0.7285980433939445
Energy: 0.7547627747995365
Energy: 0.7285980433939445
Energy: 0.7550075099649628
Energy: 0.7285980433939445
Energy: 0.6484573043992059
Energy: 0.8482620966954505
Energy: 0.6484573043996674
Energy: 0.8482620966963736
Energy: 0.6484573043992059
Energy: 0.8482620966963736
Energy: 0.7291637247120142
Energy: 0.6615485834552403
Energy: 0.7291637247157061
Energy: 0.6597302056740504
Energy: 0.7291637247124755
Energy: 0.6564953135647976
Energy: 0.7316476519181615
Energy: 0.6611358902915465
Energy: 0.6928551941283448
Energy: 0.6639797242901482
Energy: 0.6927925614171111
Energy: 0.6634597689996384
Energy: 0.7209448834005789
Energy: 0.6928764853226531
Energy: 0.6991476944939419
Energy: 0.6928764853221917
Energy: 0.6987749680327592
Energy: 0.6928764853226531
Energy: 0.8649566943708511
Energy: 0.7501607527418126
Energy: 0.8649566943722357
Energy: 0.750160752741351
Energy: 0.8649566943713127
Energy: 0.7501607527418126
Energy: 0.8152069850876623
Energy: 0.7276716931573229
Energy: 0.8152069850872008
Energy: 0.7276716931573229
Energy: 0.8152069850872008
Energy: 0.7276716931568615
Energy: 0.7001592477961752
Energy: 0.7227601653831188
Energy: 0.6942252255628379
Energy: 0.7227601653826574
Energy: 0.6943221089822579
Energy: 0.7227601653826574
Energy: 0.6930261945765127
Energy: 0.7044711792573096
Energy: 0.6928591457563581
Energy: 0.7044711792582327
Energy: 0.6927392878615541
Energy: 0.7044711792586941
Energy: 0.7626820491180619
Energy: 0.6362355415928911
Energy: 0.762682049118985
Energy: 0.6363688511962249
Energy: 0.762682049118985
Energy: 0.6362621405713297
Energy: 0.6489059453170717
Energy: 0.7361087328211423
Energy: 0.6489059453161488
Energy: 0.7361087328188348
Energy: 0.6489059453170717
Energy: 0.7361087328206809
Energy: 0.6654650181278556
Energy: 0.7279832334170763
Energy: 0.7546900853375527
Energy: 0.7279832334170763
Energy: 0.6661499868277819
Energy: 0.7279832334175378
Energy: 0.7156330830591887
Energy: 0.7232145322388874
Energy: 0.7156330830587273
Energy: 0.7232145322398104
Energy: 0.7156330830587273
Energy: 0.7232145322398104
Energy: 0.7624865018253549
Energy: 0.761137541696339
Energy: 0.7624865018267394
Energy: 0.7611375416968006
Energy: 0.7624865018258165
Energy: 0.7611375416968006
Energy: 0.681913446381264
Energy: 0.6753348524165986
Energy: 0.6819134297766444
Energy: 0.6753348524165986
Energy: 0.6819133717208683
Energy: 0.675334852416137
Energy: 0.7189753076002655
Energy: 0.6612049286450317
Energy: 0.7158715064823945
Energy: 0.6612049286450317
Energy: 0.7150776384649407
Energy: 0.6612049286454931
Energy: 0.7156303129374915
Energy: 0.6643250635733714
Energy: 0.7156303129374915
Energy: 0.6619700235414546
Energy: 0.7156303129374915
Energy: 0.6620981836249662
Energy: 0.7797743583638539
Energy: 0.7956078470287465
Energy: 0.7797743583638539
Energy: 0.7956078470287465
Energy: 0.7797743583638539
Energy: 0.7956078470287465
Energy: 0.6894158939040309
Energy: 0.7283487720402116
Energy: 0.6895388356080541
Energy: 0.7283487720402116
Energy: 0.6896559179425374
Energy: 0.7283487720402116

minimum gb energy = 0.6362355415928911 eV
minimum distance =  2.64172249444462 Angstroms
sigma value = 57


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

Energy: 0.844837336711905
Energy: 0.7245199689036369
Energy: 0.844837336711905
Energy: 0.7245199689042343
Energy: 0.8448373367125025
Energy: 0.7245199689042343
Energy: 0.7324081744045339
Energy: 0.6402159873091944
Energy: 0.7324081744075216
Energy: 0.6402159873097919
Energy: 0.7324081744051314
Energy: 0.6402159873085969
Energy: 0.779839105488187
Energy: 0.8389135906997185
Energy: 0.7798391051740449
Energy: 0.8389135906997185
Energy: 0.7798390995202462
Energy: 0.8389135906997185
Energy: 0.7404908560524079
Energy: 0.6301882441074929
Energy: 0.7404908560500177
Energy: 0.6298816529166161
Energy: 0.7404908560512129
Energy: 0.6297464590813928
Energy: 0.710360997287976
Energy: 0.6296815303298217
Energy: 0.710360997287976
Energy: 0.6296849352016566
Energy: 0.7103609972867809
Energy: 0.629530420363574
Energy: 0.6273560323136322
Energy: 0.7572409767388115
Energy: 0.6277397944348388
Energy: 0.7572409767388115
Energy: 0.6281138060718398
Energy: 0.757240976739409
Energy: 0.7537777880008156
Energy: 0.7607007744666388
Energy: 0.7537777880008156
Energy: 0.7607007744672363
Energy: 0.7537777880014133
Energy: 0.7607007744690288
Energy: 0.7385376117038716
Energy: 0.7291272825736008
Energy: 0.7385376117050667
Energy: 0.7291272825741983
Energy: 0.7385376117050667
Energy: 0.7291272825730032
Energy: 0.7265760206174862
Energy: 0.6374797524747817
Energy: 0.7265760206174862
Energy: 0.6374797524753792
Energy: 0.7265760206168886
Energy: 0.6374797524759768
Energy: 0.5921843866529916
Energy: 0.7572289394915968
Energy: 0.592184386652394
Energy: 0.7572289394915968
Energy: 0.5921843866535891
Energy: 0.7572289394904016
Energy: 0.7533812918155001
Energy: 0.6297068898218837
Energy: 0.7533812918149025
Energy: 0.6296302863528689
Energy: 0.7533812918160974
Energy: 0.6296329443855972
Energy: 0.6969887249368905
Energy: 0.6192938147269763
Energy: 0.6969887249380856
Energy: 0.6194612915557242
Energy: 0.696988724937488
Energy: 0.6190542986497405
Energy: 0.594162803624189
Energy: 0.6377156436770658
Energy: 0.5652982111747941
Energy: 0.6377156436764684
Energy: 0.5651420268631113
Energy: 0.6377156436770658
Energy: 0.7557279979360779
Energy: 0.6386738915142471
Energy: 0.7557279979324928
Energy: 0.638673891513052
Energy: 0.7557279979372731
Energy: 0.6386738915100644
Energy: 0.6691651350970108
Energy: 0.6389745670319601
Energy: 0.6691651350970108
Energy: 0.6389745670325576
Energy: 0.6691651350970108
Energy: 0.6389745670325576
Energy: 0.7088290041192367
Energy: 0.7587364976873219
Energy: 0.7088290041204317
Energy: 0.7587364976879192
Energy: 0.7088290041126638
Energy: 0.7587364976885167
Energy: 0.5945310140309236
Energy: 0.7331927953125197
Energy: 0.5945310140321186
Energy: 0.733192795311922
Energy: 0.5945310140315211
Energy: 0.7331927953125197
Energy: 0.7528898008973437
Energy: 0.5654073979677133
Energy: 0.7528898008961487
Energy: 0.5662076719294611
Energy: 0.7528898008967462
Energy: 0.5665055218650608
Energy: 0.5941283489364473
Energy: 0.7330885565985389
Energy: 0.5941283489370448
Energy: 0.7330885566003316
Energy: 0.5941283489364473
Energy: 0.7330885565997339
Energy: 0.7094495511148111
Energy: 0.7571228496167115
Energy: 0.7094495511154086
Energy: 0.7571228496155165
Energy: 0.7094495511148111
Energy: 0.7571228496172819
Energy: 0.6675843041635642
Energy: 0.6381024141369579
Energy: 0.6675843041629665
Energy: 0.6381024141363603
Energy: 0.6675843041635642
Energy: 0.6381024141363603
Energy: 0.7566597791216088
Energy: 0.698719835262943
Energy: 0.7566597796155556
Energy: 0.6987198352635404
Energy: 0.7566597793837923
Energy: 0.6987198352635404
Energy: 0.5943270966599233
Energy: 0.6376650384662705
Energy: 0.5650011493576591
Energy: 0.6376650384674657
Energy: 0.5837093820204751
Energy: 0.6376650384692583
Energy: 0.6974846027786546
Energy: 0.6195249277583537
Energy: 0.6974846027810448
Energy: 0.6194867241778907
Energy: 0.6974846027786546
Energy: 0.6193508015770299

minimum gb energy = 0.5650011493576591 eV
minimum distance =  2.70513643578384 Angstroms
sigma value = 17


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

Energy: 0.6699277596204806
Energy: 0.7297021921601596
Energy: 0.6699277596213256
Energy: 0.7297021921601596
Energy: 0.6699277596213256
Energy: 0.7297021921593146
Energy: 0.6428644108045763
Energy: 0.6349236842212379
Energy: 0.6428644108045763
Energy: 0.6349236842203929
Energy: 0.6428644108054213
Energy: 0.6349236842195479
Energy: 0.7512358920173499
Energy: 0.7692761339185625
Energy: 0.7512358920173499
Energy: 0.7692761339185625
Energy: 0.7512358920165049
Energy: 0.7692761339194076
Energy: 0.5649571269598567
Energy: 0.628299069892507
Energy: 0.5649571269590117
Energy: 0.6333277569806829
Energy: 0.5649571269607018
Energy: 0.6341211931350851
Energy: 0.6029792974012682
Energy: 0.6348776214391482
Energy: 0.6038442646236408
Energy: 0.6348984950444124
Energy: 0.6046743040146532
Energy: 0.6348981634026989
Energy: 0.5745104197389967
Energy: 0.764518355790831
Energy: 0.5692632867866452
Energy: 0.764518355790831
Energy: 0.574469630328611
Energy: 0.764518355790831
Energy: 0.6930305304606871
Energy: 0.6160532335146716
Energy: 0.6930305304615321
Energy: 0.6160532335129816
Energy: 0.6930305304606871
Energy: 0.6160532335146716
Energy: 0.5649794932712797
Energy: 0.7020221588342701
Energy: 0.5649794932721249
Energy: 0.7020221588300448
Energy: 0.5649794932721249
Energy: 0.7020221588241295
Energy: 0.5716875454162442
Energy: 0.6352034268920017
Energy: 0.5648310525150388
Energy: 0.6352034268928468
Energy: 0.5685800625357996
Energy: 0.6352034268920017
Energy: 0.6817113108222319
Energy: 0.6935892187675899
Energy: 0.6817113108213869
Energy: 0.6935892187675899
Energy: 0.6817113108213869
Energy: 0.6935892187675899
Energy: 0.6703132737453212
Energy: 0.6904883923525137
Energy: 0.6703132737453212
Energy: 0.6904883923533588
Energy: 0.6703132737453212
Energy: 0.6904883923533588
Energy: 0.6534194887670068
Energy: 0.6335614188389973
Energy: 0.6534194869256307
Energy: 0.6335614188389973
Energy: 0.6534194846787857
Energy: 0.6335614188389973
Energy: 0.5648967405757684
Energy: 0.7624844108299352
Energy: 0.5648967405766135
Energy: 0.7624844108299352
Energy: 0.5648967405757684
Energy: 0.7624844108299352
Energy: 0.6856837223294782
Energy: 0.5406920008185943
Energy: 0.6856837223311681
Energy: 0.5220489846119805
Energy: 0.685683722331994
Energy: 0.5223350665826647
Energy: 0.5775416843742639
Energy: 0.7170004016002924
Energy: 0.5789599572085198
Energy: 0.7170004015986023
Energy: 0.5792277177102896
Energy: 0.7170004015994474
Energy: 0.5658984078736143
Energy: 0.672019637436085
Energy: 0.5660621711996017
Energy: 0.672019637436085
Energy: 0.5665116809741437
Energy: 0.672019637436085
Energy: 0.6808652208289114
Energy: 0.723516511168925
Energy: 0.6808652208289114
Energy: 0.72351651116808
Energy: 0.6808652208289114
Energy: 0.7235165111714603

minimum gb energy = 0.5220489846119805 eV
minimum distance =  2.58111326070341 Angstroms
sigma value = 17


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

Energy: 0.6054566322554193
Energy: 0.6394115516180046
Energy: 0.6054566322537877
Energy: 0.6394115516176783
Energy: 0.605456632255093
Energy: 0.639411551617352
Energy: 0.6087310053378612
Energy: 0.6276082839277393
Energy: 0.6087310053355769
Energy: 0.6276082839277393
Energy: 0.6087310053362295
Energy: 0.627608283927413
Energy: 0.6494771730011681
Energy: 0.6754993900148252
Energy: 0.6494703788582467
Energy: 0.6754993900151515
Energy: 0.5745257133377087
Energy: 0.6754993900148252
Energy: 0.553678602183389
Energy: 0.706207400161203
Energy: 0.5536786021837155
Energy: 0.7062073993164022
Energy: 0.55367860218241
Energy: 0.7062073983939652
Energy: 0.6162808879358089
Energy: 0.6145517113570903
Energy: 0.6162808879459251
Energy: 0.6145517113564376
Energy: 0.6162808879491883
Energy: 0.6145517113567639
Energy: 0.6590539612987886
Energy: 0.6527645648364342
Energy: 0.659053961263575
Energy: 0.6527645648367606
Energy: 0.6590539611699489
Energy: 0.6527645648370869
Energy: 0.6093699950889979
Energy: 0.666354951099857
Energy: 0.609369995086061
Energy: 0.6663549510717928
Energy: 0.6093699950870399
Energy: 0.6663549510489796
Energy: 0.6700587551640672
Energy: 0.6554268612794916
Energy: 0.6000905245188353
Energy: 0.6554268612781863
Energy: 0.6000119696977975
Energy: 0.6554268612694051
Energy: 0.6781698045333028
Energy: 0.6444989469238445
Energy: 0.6781698045323239
Energy: 0.6444989469238445
Energy: 0.6781698045310186
Energy: 0.6444989469244972
Energy: 0.6040953097910616
Energy: 0.6003412263697085
Energy: 0.6040953097913879
Energy: 0.6003412263687296
Energy: 0.6040953097930195
Energy: 0.6003412263700348
Energy: 0.5532638674172049
Energy: 0.5912179952323106
Energy: 0.5532638674172049
Energy: 0.5915027863598032
Energy: 0.5532638674158996
Energy: 0.5915023868540967
Energy: 0.7327452041241599
Energy: 0.5961638445593553
Energy: 0.732745204122202
Energy: 0.5961638445590289
Energy: 0.7327452041300337
Energy: 0.5961638445593553
Energy: 0.6551822623965475
Energy: 0.6050422919192838
Energy: 0.6551822623962211
Energy: 0.6050422919189575
Energy: 0.6551822623968738
Energy: 0.6050422919189575
Energy: 0.6074544233332188
Energy: 0.644698897502141
Energy: 0.607454423332566
Energy: 0.6446988975014883
Energy: 0.6074544233328923
Energy: 0.644698897501162
Energy: 0.613500384533099
Energy: 0.5960337815853166
Energy: 0.6135003674907399
Energy: 0.5960337815856429
Energy: 0.6135002678868628
Energy: 0.5960337815849903
Energy: 0.6081792671203637
Energy: 0.6658626507050677
Energy: 0.6081792671210164
Energy: 0.665862650705394
Energy: 0.6081792671193849
Energy: 0.665862650705394
Energy: 0.6557332310506913
Energy: 0.7011904364626383
Energy: 0.6557332310497124
Energy: 0.7011904364619856
Energy: 0.655733231050365
Energy: 0.7011904364619856
Energy: 0.7019791534980852
Energy: 0.6692065444319111
Energy: 0.701819719391844
Energy: 0.6692065444296267
Energy: 0.701811304187601
Energy: 0.6692065444332163
Energy: 0.6835686821631815
Energy: 0.658426369596334
Energy: 0.6835686820708903
Energy: 0.6584263695956813
Energy: 0.6835686819795485
Energy: 0.658426369596334
Energy: 0.6554353830099825
Energy: 0.5930623480840305
Energy: 0.6554353830086771
Energy: 0.5930623480837042
Energy: 0.6554353830090035
Energy: 0.5930623480843569
Energy: 0.6835759809953706
Energy: 0.6581764425370151
Energy: 0.6835759809885178
Energy: 0.6581764425366888
Energy: 0.6835759809027235
Energy: 0.6581764425392995
Energy: 0.7018298061601338
Energy: 0.6694852516975541
Energy: 0.7018249585875556
Energy: 0.6694852516952698
Energy: 0.7018138671912776
Energy: 0.6694852516933119
Energy: 0.6558519803582913
Energy: 0.7012735360788328
Energy: 0.6558519803579649
Energy: 0.7012735360794855
Energy: 0.6558519803579649
Energy: 0.7012735360785065
Energy: 0.6081792820050204
Energy: 0.6752001320607287
Energy: 0.6081792820033888
Energy: 0.675200132063013
Energy: 0.6081792820053467
Energy: 0.675200132064971
Energy: 0.6134039650318801
Energy: 0.5960193140313894
Energy: 0.6134039714051616
Energy: 0.5960193140317157
Energy: 0.6134039029180309
Energy: 0.5960193140317157
Energy: 0.6073953000592228
Energy: 0.6453497825925085
Energy: 0.6073953000566121
Energy: 0.6453497825921822
Energy: 0.6073953000595491
Energy: 0.6453497825912032
Energy: 0.655253083347415
Energy: 0.6049803525263566
Energy: 0.6552530833467625
Energy: 0.6049803525250513
Energy: 0.6552530833477413
Energy: 0.6049803525266829
Energy: 0.732579131020501
Energy: 0.5962568542194108
Energy: 0.7325791310244169
Energy: 0.5962568542194108
Energy: 0.7325791310211536
Energy: 0.5962568542190844
Energy: 0.5534214405318383
Energy: 0.5906737561500871
Energy: 0.553421440532491
Energy: 0.590002123365625
Energy: 0.5534214405302068
Energy: 0.5903054234573213
Energy: 0.6041036652191719
Energy: 0.5999790971852178
Energy: 0.6041036652198246
Energy: 0.5999790971855442
Energy: 0.6041036652204772
Energy: 0.5999790971858705
Energy: 0.6781794851130689
Energy: 0.6672611151645333
Energy: 0.6781794851153532
Energy: 0.6672611151648598
Energy: 0.6781794851143742
Energy: 0.6672611151638808
Energy: 0.6003605710454936
Energy: 0.65519739474666
Energy: 0.6000815681040425
Energy: 0.6551973947479652
Energy: 0.6001566123044919
Energy: 0.6551973947522075
Energy: 0.6093920275850888
Energy: 0.6664313162376588
Energy: 0.6093920275844361
Energy: 0.6664313161825393
Energy: 0.6093920275850888
Energy: 0.6664313161518943
Energy: 0.6590107117115815
Energy: 0.6172237435411324
Energy: 0.6590107120994061
Energy: 0.6172237435411324
Energy: 0.659010711947071
Energy: 0.6172237435408061
Energy: 0.6171685907756715
Energy: 0.6144834852765743
Energy: 0.6171685907737136
Energy: 0.6144834852765743
Energy: 0.6171685907818717
Energy: 0.6144834852769006
Energy: 0.5537153065348854
Energy: 0.7075257278799367
Energy: 0.5537153065335801
Energy: 0.7075257278636204
Energy: 0.5537153065329276
Energy: 0.7075257278590518
Energy: 0.6496011340344062
Energy: 0.6755058282876922
Energy: 0.6495976954168237
Energy: 0.6755058282880185
Energy: 0.5747872932489642
Energy: 0.6755058282873659
Energy: 0.6088005683628617
Energy: 0.6151112147060371
Energy: 0.6088005683625353
Energy: 0.6151112147060371
Energy: 0.6088005683618826
Energy: 0.6151112147063635
Energy: 0.6054566322479139
Energy: 0.639411551615394
Energy: 0.6054566322488928
Energy: 0.639411551615394
Energy: 0.6054566322479139
Energy: 0.6394115516147413
Energy: 0.6087310053362295
Energy: 0.6276082839306762
Energy: 0.6087310053365559
Energy: 0.6276082839306762
Energy: 0.6087310053365559
Energy: 0.627608283931329
Energy: 0.6494767940374389
Energy: 0.6754993900171095
Energy: 0.6494689815107855
Energy: 0.6754993900187412
Energy: 0.5744720481082563
Energy: 0.6754993900177622
Energy: 0.5536786021856734
Energy: 0.6931798962164533
Energy: 0.5536786021853471
Energy: 0.693179896216127
Energy: 0.5536786021843682
Energy: 0.693179896211232
Energy: 0.6162808879420092
Energy: 0.6145517113544796
Energy: 0.616280887948862
Energy: 0.6145517113554586
Energy: 0.616280887963873
Energy: 0.6145517113544796

minimum gb energy = 0.5532638674158996 eV
minimum distance =  2.61054655166822 Angstroms
sigma value = 57


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

Energy: 0.6024960770773539
Energy: 0.5871434955658994
Energy: 0.6024960770773539
Energy: 0.5871434955658994
Energy: 0.6024960770768226
Energy: 0.5871434955664308
Energy: 0.5803869189466501
Energy: 0.5771499074369397
Energy: 0.5803869189466501
Energy: 0.577149907437471
Energy: 0.5803869189461187
Energy: 0.5771499074380023
Energy: 0.6130963422146528
Energy: 0.6232118970781875
Energy: 0.6130963352593402
Energy: 0.6232118970787189
Energy: 0.6130963193018557
Energy: 0.6232118970781875
Energy: 0.589946574783605
Energy: 0.651623943169031
Energy: 0.589946574782011
Energy: 0.651623943169031
Energy: 0.5899465747830736
Energy: 0.651623943169031
Energy: 0.5805468051843616
Energy: 0.5475492032112502
Energy: 0.5805468051806422
Energy: 0.5475492032123128
Energy: 0.5805468051753289
Energy: 0.5475492032128443
Energy: 0.6163599964922027
Energy: 0.579623386601073
Energy: 0.6163599964937967
Energy: 0.5796233866005416
Energy: 0.6163599964932654
Energy: 0.5796233866005416
Energy: 0.5632776870611066
Energy: 0.6321360202949449
Energy: 0.5632776870616378
Energy: 0.6321360202938822
Energy: 0.5632776870627006
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Energy: 0.5960740386698254
Energy: 0.6164863697632885
Energy: 0.5960740386719507
Energy: 0.6164567406899905
Energy: 0.5960740386650435
Energy: 0.5594798137559313
Energy: 0.5963781760249919
Energy: 0.5785949616567907
Energy: 0.5963781760255233
Energy: 0.5785949616562595
Energy: 0.5963781760265859
Energy: 0.5785949616562595
Energy: 0.5890851720333969
Energy: 0.6080995441244293
Energy: 0.5890851720344596
Energy: 0.6080995441249606
Energy: 0.5890851720339283
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Energy: 0.5531917398187935
Energy: 0.6170298554746796
Energy: 0.553191739817731
Energy: 0.6170298554820942
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Energy: 0.6170298554757423
Energy: 0.6212013938601931
Energy: 0.5601239909522199
Energy: 0.6212013938607246
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Energy: 0.5601239909522199
Energy: 0.586950666650245
Energy: 0.6273735479623981
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Energy: 0.6273735479592101
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Energy: 0.627373547960804
Energy: 0.5663466138035564
Energy: 0.6155464439463971
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Energy: 0.6155464439495852
Energy: 0.6575767395441909
Energy: 0.5947445589708225
Energy: 0.6575767395431283
Energy: 0.5947445589687211
Energy: 0.6575767395447223
Energy: 0.5947445589713537
Energy: 0.5857686587025265
Energy: 0.5791312646744485
Energy: 0.5857686587041205
Energy: 0.5791312646739173
Energy: 0.5857686587030577
Energy: 0.5791312646744485
Energy: 0.6074507966259272
Energy: 0.6467033669250649
Energy: 0.6074507966264585
Energy: 0.6467033669245336
Energy: 0.6074507966248646
Energy: 0.6467033669250649
Energy: 0.5942128468540044
Energy: 0.6138777227202551
Energy: 0.5942128468540044
Energy: 0.613877722721849
Energy: 0.5942128468524104
Energy: 0.6138777227213178
Energy: 0.5732578579856683
Energy: 0.6084664695362672
Energy: 0.5732578579861998
Energy: 0.6084664695373299
Energy: 0.5732578579872624
Energy: 0.6084664695352044
Energy: 0.5661330823412114
Energy: 0.6456992253570816
Energy: 0.5661330823412114
Energy: 0.6456992253565502
Energy: 0.5661330823412114
Energy: 0.6456992253570816
Energy: 0.6020212619190405
Energy: 0.6139202083280098
Energy: 0.6020212622238836
Energy: 0.6139202083258843
Energy: 0.6020212642404809
Energy: 0.613920208326947
Energy: 0.5532603134770758
Energy: 0.6103700933826289
Energy: 0.5532603134770758
Energy: 0.6103700933815663
Energy: 0.5532603134786698
Energy: 0.6103700933789097
Energy: 0.6096583264781522
Energy: 0.6218222910396966
Energy: 0.6096583264781522
Energy: 0.6218222910396966
Energy: 0.6096583264770896
Energy: 0.6218222910402278
Energy: 0.6198627123809798
Energy: 0.6087153631738128
Energy: 0.6198627123799171
Energy: 0.608715363174344
Energy: 0.6198627123788544
Energy: 0.6087153631738128
Energy: 0.6115677996706628
Energy: 0.7210316504339394
Energy: 0.6115669356703909
Energy: 0.7210316504360648
Energy: 0.6115645308894604
Energy: 0.7210316504355333
Energy: 0.584223543548705
Energy: 0.6210893631136017
Energy: 0.584223543548705
Energy: 0.6210893631130705
Energy: 0.5842235435476423
Energy: 0.6210893631130705
Energy: 0.5603463748840862
Energy: 0.608404358616607
Energy: 0.5603463748840862
Energy: 0.6084043586182011
Energy: 0.5603463748840862
Energy: 0.608404358616607

minimum gb energy = 0.5475492032112502 eV
minimum distance =  2.59221699352594 Angstroms
sigma value = 43


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

Energy: 0.549899811254451
Energy: 0.5133266882461397
Energy: 0.5498998112540638
Energy: 0.5133266882461397
Energy: 0.549899811254451
Energy: 0.5133266882465268
Energy: 0.5076767230579662
Energy: 0.5146435152227604
Energy: 0.507676723057579
Energy: 0.5146435152235347
Energy: 0.5076767230579662
Energy: 0.5146435152227604
Energy: 0.6054384867679096
Energy: 0.5538548531224463
Energy: 0.6054384867671353
Energy: 0.5538548531228336
Energy: 0.6054384867675224
Energy: 0.5538548531228336
Energy: 0.5229983487713729
Energy: 0.5435898529889458
Energy: 0.52299834877176
Energy: 0.5435898529916557
Energy: 0.5229983487729214
Energy: 0.5435898529908815
Energy: 0.5079438338808708
Energy: 0.4821832689871013
Energy: 0.5079438338804837
Energy: 0.4821832689874885
Energy: 0.5079438338812581
Energy: 0.4821832689871013
Energy: 0.5353040824069671
Energy: 0.5085946333493859
Energy: 0.5353040824088852
Energy: 0.5085946333489988
Energy: 0.53530408240658
Energy: 0.5085946333493859
Energy: 0.5105548355091214
Energy: 0.5327797166790375
Energy: 0.5105548355087343
Energy: 0.5327797166794247
Energy: 0.5105548355098957
Energy: 0.5327797166817474
Energy: 0.5087093830146256
Energy: 0.4864792267521483
Energy: 0.5087093830076572
Energy: 0.4864792267517612
Energy: 0.5087093830103672
Energy: 0.4864792267517612
Energy: 0.5141703513467628
Energy: 0.5008067519284657
Energy: 0.5141703513483115
Energy: 0.5008067519284657
Energy: 0.5141703513486986
Energy: 0.5008067519284657
Energy: 0.5645566902819114
Energy: 0.5103481963553056
Energy: 0.5645566902822986
Energy: 0.5103481963572413
Energy: 0.5645566902822986
Energy: 0.5103481963564671
Energy: 0.5576293040947778
Energy: 0.5499971147089666
Energy: 0.5576293040990363
Energy: 0.5499971147093539
Energy: 0.5576293040963264
Energy: 0.549997114710128
Energy: 0.49054864780694657
Energy: 0.5025763761464085
Energy: 0.4905486478073337
Energy: 0.5025763761460212
Energy: 0.4905486478073337
Energy: 0.5025763761467956
Energy: 0.5103172224682905
Energy: 0.4895776214759393
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Energy: 0.4895776214759393
Energy: 0.5103172224682905
Energy: 0.4895776214763264
Energy: 0.5079327204941266
Energy: 0.5460663263998727
Energy: 0.5079327204929653
Energy: 0.546066326401034
Energy: 0.5079327204937395
Energy: 0.5460663264002598
Energy: 0.5077033424092627
Energy: 0.4950048337817786
Energy: 0.5077033424092627
Energy: 0.4950048337817786
Energy: 0.5077033424100369
Energy: 0.4950048337825529
Energy: 0.5817983223822664
Energy: 0.5162017323014253
Energy: 0.5817983223799436
Energy: 0.5162017323018124
Energy: 0.5817983223818793
Energy: 0.516201732301038
Energy: 0.5124357065182971
Energy: 0.5411093539301836
Energy: 0.5124357065167485
Energy: 0.5411093539270865
Energy: 0.5124357065167485
Energy: 0.5411093539278607
Energy: 0.5221343700170854
Energy: 0.49477308990386826
Energy: 0.5221343700166983
Energy: 0.49477308990696534
Energy: 0.5221343700170854
Energy: 0.4947730899054168
Energy: 0.48526099650204924
Energy: 0.5531014890513068
Energy: 0.48526099650204924
Energy: 0.5531014890509198
Energy: 0.4852609965016621
Energy: 0.5531014890509198
Energy: 0.5114055288265877
Energy: 0.4904675972585276
Energy: 0.5114055288262006
Energy: 0.490467597259689
Energy: 0.5114055288262006
Energy: 0.490467597256592
Energy: 0.5524176710326348
Energy: 0.5135003642127581
Energy: 0.5524176710337962
Energy: 0.5135003642123711
Energy: 0.5524176710349575
Energy: 0.5135003642119839
Energy: 0.5298425274586539
Energy: 0.5543742448961924
Energy: 0.5298425274586539
Energy: 0.5543742448965796
Energy: 0.529842527459041
Energy: 0.5543742448961924
Energy: 0.5279361412400403
Energy: 0.549541775597595
Energy: 0.5279361412392661
Energy: 0.5495417755968207
Energy: 0.5279361412392661
Energy: 0.5495417755972078
Energy: 0.5269711615223192
Energy: 0.5132771672972968
Energy: 0.5269711615242549
Energy: 0.5132771672969096
Energy: 0.5269711615242549
Energy: 0.5132771672969096
Energy: 0.48493126734593134
Energy: 0.4854662154807198
Energy: 0.4849312673467056
Energy: 0.4854662154803326
Energy: 0.4849312673463185
Energy: 0.4854662154807198
Energy: 0.4963493950324789
Energy: 0.5402195083823322
Energy: 0.49634939503364023
Energy: 0.5402195083827194
Energy: 0.4963493950320917
Energy: 0.5402195083823322
Energy: 0.5333475999020972
Energy: 0.49431330943802504
Energy: 0.5333475999005487
Energy: 0.49431330943802504
Energy: 0.5333475999005487
Energy: 0.4943133094387993
Energy: 0.4604750012817887
Energy: 0.4863359443565724
Energy: 0.46047500128256297
Energy: 0.4863359443561853
Energy: 0.4604750012821759
Energy: 0.4863359443565724
Energy: 0.496113659134214
Energy: 0.5139002411639662
Energy: 0.496113659134214
Energy: 0.5139002411639662
Energy: 0.49611365913460126
Energy: 0.5139002411639662
Energy: 0.5048067391904227
Energy: 0.4851179986002401
Energy: 0.5048067391900356
Energy: 0.4851179986002401
Energy: 0.5048067391919713
Energy: 0.4851179986006272
Energy: 0.4633078102685992
Energy: 0.4865263576227759
Energy: 0.4633078102693734
Energy: 0.4865263576220017
Energy: 0.46330781026898626
Energy: 0.4865263576223888
Energy: 0.49649714107415993
Energy: 0.49757643586428607
Energy: 0.49649714107415993
Energy: 0.4975764358646732
Energy: 0.49649714107415993
Energy: 0.4975764358646732
Energy: 0.48826569503096123
Energy: 0.48557735856732887
Energy: 0.4882656950332841
Energy: 0.48557735856732887
Energy: 0.4882656950297999
Energy: 0.48557735856732887
Energy: 0.5581731525598844
Energy: 0.5484810159129594
Energy: 0.5581731525583359
Energy: 0.5484810159117979
Energy: 0.5581731525567873
Energy: 0.5484810159133464
Energy: 0.5148939451180726
Energy: 0.48222757921967785
Energy: 0.5148939451188468
Energy: 0.48222757922006493
Energy: 0.5148939451180726
Energy: 0.48222757922006493
Energy: 0.44811106853371757
Energy: 0.4862634480390488
Energy: 0.44811106853294325
Energy: 0.4862634480344032
Energy: 0.44811106853216903
Energy: 0.4862634480390488

minimum gb energy = 0.44811106853216903 eV
minimum distance =  2.5652521445174 Angstroms
sigma value = 81


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

Energy: 0.00980521073868081
Energy: 0.0347387870016671
Energy: 0.00980521073868081
Energy: 0.03473878700152163
Energy: 0.00980521073868081
Energy: 0.034738787001958045
Energy: 0.43268603588836274
Energy: 0.07945951788003928
Energy: 0.43268603588807175
Energy: 0.0794595178817365
Energy: 0.4326860358882173
Energy: 0.07945951788445203
Energy: 0.432685837039511
Energy: 0.010821212518353626
Energy: 0.432685837039511
Energy: 0.010821212518919364
Energy: 0.43268583703964025
Energy: 0.010821212517933363
Energy: 0.009805210738535334
Energy: 0.034738787002103526
Energy: 0.009805210738389858
Energy: 0.034738787002103526
Energy: 0.00980521073868081
Energy: 0.0347387870016671
Energy: 0.43268603588736054
Energy: 0.07945951787932806
Energy: 0.43268603588750604
Energy: 0.07945951788018475
Energy: 0.43268603588765153
Energy: 0.07945951788244769
Energy: 0.43268583703865426
Energy: 0.010821212514652088
Energy: 0.43268583703922003
Energy: 0.010821212515508776
Energy: 0.4326858370402223
Energy: 0.010821212514943038
Energy: 0.00980521073868081
Energy: 0.034738787001958045
Energy: 0.00980521073868081
Energy: 0.03473878700152163
Energy: 0.00980521073868081
Energy: 0.03473878700152163
Energy: 0.43268603588736054
Energy: 0.0794595178864402
Energy: 0.4326860358872313
Energy: 0.07945951788188198
Energy: 0.4326860358879425
Energy: 0.07945951788458133
Energy: 0.43268583703964025
Energy: 0.010821212504000059
Energy: 0.43268583703936553
Energy: 0.01082121250697422
Energy: 0.43268583703936553
Energy: 0.01082121250626301
Energy: 0.009805210738535334
Energy: 0.03473878700181258
Energy: 0.00980521073868081
Energy: 0.03473878700181258
Energy: 0.00980521073868081
Energy: 0.03473878700139231

minimum gb energy = 0.009805210738389858 eV
minimum distance =  2.82663582877237 Angstroms
sigma value = 3


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

Energy: 0.39972553578737063
Energy: 0.43432748538989296
Energy: 0.39972553579247855
Energy: 0.43432748538989296
Energy: 0.39972553579290426
Energy: 0.4343274853903186
Energy: 0.3454574760572268
Energy: 0.37835650199375714
Energy: 0.3454574760572268
Energy: 0.37835650199418275
Energy: 0.3454574760563755
Energy: 0.37835650199418275
Energy: 0.4092646828593934
Energy: 0.3797979029187863
Energy: 0.4092646828589677
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Energy: 0.4092646828593934
Energy: 0.3797979029183607
Energy: 0.37664869303182713
Energy: 0.42664867740863854
Energy: 0.3766486930322528
Energy: 0.42664867740736157
Energy: 0.37664869303140147
Energy: 0.4266486774082128
Energy: 0.3652140829755022
Energy: 0.3775677739637077
Energy: 0.3652140829746508
Energy: 0.3775677739637077
Energy: 0.3652140829763535
Energy: 0.3775677739632821
Energy: 0.41061058475875406
Energy: 0.38984515965867217
Energy: 0.41061058475832846
Energy: 0.3898451596582465
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Energy: 0.3898451596582465
Energy: 0.3879040398534526
Energy: 0.40195331640984683
Energy: 0.3879040398530269
Energy: 0.4019533164068671
Energy: 0.3879040398526013
Energy: 0.4019533164085698
Energy: 0.3634105569105267
Energy: 0.37698615448857886
Energy: 0.363410556911378
Energy: 0.37698615448857886
Energy: 0.36341055691010105
Energy: 0.37698615448857886
Energy: 0.4182732373516712
Energy: 0.39565981543619916
Energy: 0.41827323735209687
Energy: 0.3956598154357735
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Energy: 0.38836592167591893
Energy: 0.3998685815766977
Energy: 0.38836592167591893
Energy: 0.3998685815784004
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Energy: 0.39986858157542077
Energy: 0.3871389769667553
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Energy: 0.4272952703409726
Energy: 0.4266874445139231
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Energy: 0.42668744451562574
Energy: 0.42729527033884424
Energy: 0.3769356617224951
Energy: 0.3764918968232744
Energy: 0.3769356617216438
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Energy: 0.37693566172292087
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Energy: 0.36045237164393784
Energy: 0.45927033004672413
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Energy: 0.41181103976279737
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Energy: 0.35412755629393095
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Energy: 0.42014398362836475
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Energy: 0.4201439836287904
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Energy: 0.3606658617381519
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Energy: 0.37665706941459454
Energy: 0.4133366071173959
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Energy: 0.40920522206834686
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Energy: 0.38415380269484456
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Energy: 0.38415380269484456
Energy: 0.39879589861734405
Energy: 0.38415380269441896
Energy: 0.3898647656368967
Energy: 0.4162074232089006
Energy: 0.38986476563732236
Energy: 0.41620742320975196
Energy: 0.389864765636471
Energy: 0.4162074232101776

minimum gb energy = 0.288566213938877 eV
minimum distance =  2.63970371714324 Angstroms
sigma value = 67


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

Energy: 0.5234382457707714
Energy: 0.5178605774443303
Energy: 0.5234382457707714
Energy: 0.5178605774449369
Energy: 0.5234382457707714
Energy: 0.5178605774449369
Energy: 0.5133700776280681
Energy: 0.5167626088641863
Energy: 0.5133700776280681
Energy: 0.5167626088641863
Energy: 0.513370077626855
Energy: 0.5167626088641863
Energy: 0.5426400336541494
Energy: 0.5159054805148684
Energy: 0.5426400336529363
Energy: 0.5159054805148684
Energy: 0.5426400336529363
Energy: 0.5159054805148684
Energy: 0.5180055459053117
Energy: 0.5558029203028647
Energy: 0.5180055459065248
Energy: 0.5558029203065038
Energy: 0.5180055459053117
Energy: 0.5558029203028647
Energy: 0.5189062711747209
Energy: 0.5167051119190522
Energy: 0.5189062711735078
Energy: 0.5167051119190522
Energy: 0.5189062711741144
Energy: 0.5167051119196587
Energy: 0.5469776253505949
Energy: 0.5155515023623597
Energy: 0.5469776253499882
Energy: 0.5155515023617531
Energy: 0.5469776253499882
Energy: 0.5155515023617531
Energy: 0.5161831227583412
Energy: 0.5428158861479445
Energy: 0.5161831227589477
Energy: 0.5428158861491575
Energy: 0.5161831227583412
Energy: 0.5428158861479445
Energy: 0.5415896094461021
Energy: 0.5191694415055694
Energy: 0.5415896094473153
Energy: 0.5191694415061759
Energy: 0.5415896094485283
Energy: 0.5191694415061759
Energy: 0.5604563202485244
Energy: 0.5624244166212167
Energy: 0.5604563202485244
Energy: 0.5624244166230361
Energy: 0.560456320249131
Energy: 0.5624244166224297
Energy: 0.5140990939961751
Energy: 0.5135680244817828
Energy: 0.5140990939961751
Energy: 0.5135680244805697
Energy: 0.5140990939967817
Energy: 0.5135680244811762
Energy: 0.5430498383103454
Energy: 0.5188769226606362
Energy: 0.5430498383127714
Energy: 0.5188769226600298
Energy: 0.5430498383127714
Energy: 0.5188769226600298
Energy: 0.5140513238512378
Energy: 0.5355837478501985
Energy: 0.5140513238506313
Energy: 0.5355837478514114
Energy: 0.5140513238518444
Energy: 0.5355837478508049
Energy: 0.5135405973718512
Energy: 0.5149332976335727
Energy: 0.5135405973730642
Energy: 0.5149332976341792
Energy: 0.5135405973730642
Energy: 0.5149332976329661
Energy: 0.534682612117152
Energy: 0.5053151189223674
Energy: 0.5346826121165454
Energy: 0.5053151189223674
Energy: 0.5346826121165454
Energy: 0.5053151189229739
Energy: 0.5097707948400788
Energy: 0.5133828930047808
Energy: 0.5097707948400788
Energy: 0.5133828930047808
Energy: 0.5097707948400788
Energy: 0.5133828930053873
Energy: 0.5170742129966435
Energy: 0.5213548164541436
Energy: 0.5170742129966435
Energy: 0.5213548164547502
Energy: 0.517074212996037
Energy: 0.5213548164547502
Energy: 0.5594814552348583
Energy: 0.5181730248968025
Energy: 0.5594814552342516
Energy: 0.5181730248974091
Energy: 0.5594814552342516
Energy: 0.5181730248968025
Energy: 0.5084028325449933
Energy: 0.5109853089431109
Energy: 0.5084028325462064
Energy: 0.5109853089431109
Energy: 0.5084028325455997
Energy: 0.5109853089431109
Energy: 0.5161386933143955
Energy: 0.5435145869063244
Energy: 0.5161386933150022
Energy: 0.5435145869063244
Energy: 0.5161386933143955
Energy: 0.5435145869063244
Energy: 0.5105191885414523
Energy: 0.516653236892459
Energy: 0.5105191885414523
Energy: 0.516653236892459
Energy: 0.5105191885396329
Energy: 0.516653236892459
Energy: 0.5332204074212189
Energy: 0.5206171493764149
Energy: 0.5332204074151538
Energy: 0.5206171493764149
Energy: 0.5332204074175797
Energy: 0.5206171493764149
Energy: 0.5186794696333592
Energy: 0.5632876189866111
Energy: 0.5186794696327528
Energy: 0.5632876189884307
Energy: 0.5186794696327528
Energy: 0.5632876189884307
Energy: 0.521635692735486
Energy: 0.5159807903098873
Energy: 0.5216356927379121
Energy: 0.5159807903104938
Energy: 0.521635692735486
Energy: 0.5159807903098873

minimum gb energy = 0.5053151189223674 eV
minimum distance =  2.65694245160759 Angstroms
sigma value = 33


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

Energy: 0.6498163826823558
Energy: 0.6803797956402786
Energy: 0.6046834201236798
Energy: 0.6803797956433568
Energy: 0.6498163826835099
Energy: 0.680379795642972
Energy: 0.6533832896279548
Energy: 0.6432229584964831
Energy: 0.6533832896241072
Energy: 0.6432229584941744
Energy: 0.6533832896260311
Energy: 0.6432229584937897
Energy: 0.6216524343967097
Energy: 0.6497763139032074
Energy: 0.6216524343947858
Energy: 0.6497763138978206
Energy: 0.6216524343932467
Energy: 0.6497763138985903
Energy: 0.6407254641169985
Energy: 0.7066418788819921
Energy: 0.6407254641189223
Energy: 0.7066418788781446
Energy: 0.6407254641200767
Energy: 0.7066418788785293
Energy: 0.6621212789781044
Energy: 0.5870626826483216
Energy: 0.6621212789827216
Energy: 0.5870626826513997
Energy: 0.66212127898503
Energy: 0.5870626826517845
Energy: 0.6434432218837357
Energy: 0.7016876630701628
Energy: 0.6434432218860443
Energy: 0.7016876630732409
Energy: 0.6434432218887376
Energy: 0.7016876630728562
Energy: 0.5974762553071957
Energy: 0.6423345364809417
Energy: 0.5974762553102563
Energy: 0.6423345364797873
Energy: 0.5974762553106411
Energy: 0.6423345364794026
Energy: 0.7072576191336918
Energy: 0.6480246701829538
Energy: 0.7072576191375394
Energy: 0.6480246701841081
Energy: 0.7072576191363852
Energy: 0.6480246701837233
Energy: 0.6484375196615842
Energy: 0.6341644650919351
Energy: 0.6482295989317579
Energy: 0.6341644650969371
Energy: 0.6484375196581212
Energy: 0.6341644650977066
Energy: 0.5891333157605922
Energy: 0.6830278584966524
Energy: 0.5891333157605922
Energy: 0.6830278584947285
Energy: 0.5891333157590533
Energy: 0.6830278584943438
Energy: 0.7231287930242658
Energy: 0.6416131369783823
Energy: 0.7231755653577957
Energy: 0.6416131369776129
Energy: 0.7231287930227267
Energy: 0.6416131369772281
Energy: 0.6017904467630029
Energy: 0.6709763624839504
Energy: 0.6017904467603095
Energy: 0.6709763624824114
Energy: 0.6017904467606943
Energy: 0.6709763624820266
Energy: 0.588420340274972
Energy: 0.6604136419669256
Energy: 0.5884203402765111
Energy: 0.6604136419653867
Energy: 0.5884203402772806
Energy: 0.6604136419653867
Energy: 0.6635597415732506
Energy: 0.6513922879297183
Energy: 0.6635597415713268
Energy: 0.6513922879281792
Energy: 0.6635597415717116
Energy: 0.6513922879281792
Energy: 0.6165164155396167
Energy: 0.6611021154620484
Energy: 0.616516415539232
Energy: 0.6611021154620484
Energy: 0.616516415539232
Energy: 0.6611021154620484
Energy: 0.6452280769479569
Energy: 0.6264318169650727
Energy: 0.6452280769475722
Energy: 0.6264318169650727
Energy: 0.6452280769487265
Energy: 0.6264318169654574
Energy: 0.66738910196201
Energy: 0.5989211521290178
Energy: 0.667389101960086
Energy: 0.598921152127094
Energy: 0.6673891019581623
Energy: 0.598921152127094
Energy: 0.6247130281215816
Energy: 0.6930980876928889
Energy: 0.6247130281204273
Energy: 0.6930980876948128
Energy: 0.6247130281231208
Energy: 0.6930980876959671
Energy: 0.6005419697090917
Energy: 0.6392701839191409
Energy: 0.6005419697121699
Energy: 0.639270183919893
Energy: 0.6005419697140936
Energy: 0.639270183919893
Energy: 0.7142791544637552
Energy: 0.5997878906212482
Energy: 0.7142791544656792
Energy: 0.5997878906227873
Energy: 0.7142791544629858
Energy: 0.599787890623172
Energy: 0.6390163351924442
Energy: 0.6782757077238974
Energy: 0.6393430800314069
Energy: 0.6782757077335165
Energy: 0.6390163351935985
Energy: 0.678275707734286
Energy: 0.595611936901815
Energy: 0.6691589164777899
Energy: 0.5956119368987368
Energy: 0.6691589164770203
Energy: 0.5956119368960435
Energy: 0.6691589164770203
Energy: 0.7435635925308621
Energy: 0.6414696694145336
Energy: 0.6332106302145418
Energy: 0.6414696694133792
Energy: 0.7435635925320164
Energy: 0.641469669413764
Energy: 0.6483310220824005
Energy: 0.6640200522675029
Energy: 0.589051424409909
Energy: 0.6640200522678877
Energy: 0.6483310220854787
Energy: 0.6640200522686573
Energy: 0.6474637822529643
Energy: 0.6593345232253117
Energy: 0.6001694727109665
Energy: 0.6593345232260812
Energy: 0.6474637822479624
Energy: 0.6593345232260812
Energy: 0.6879202138233316
Energy: 0.655571163999253
Energy: 0.6879202138237164
Energy: 0.6555711640019464
Energy: 0.6879202138264098
Energy: 0.6555711640019464
Energy: 0.6003474329256606
Energy: 0.6592024286782113
Energy: 0.6003474329245064
Energy: 0.659202428677057
Energy: 0.6003474329206587
Energy: 0.659202428677057
Energy: 0.6370868160850505
Energy: 0.6544855429153267
Energy: 0.6370868160862048
Energy: 0.6544855429180201
Energy: 0.6370868160831266
Energy: 0.6544855429157114
Energy: 0.6591038420643247
Energy: 0.5871481497041722
Energy: 0.6591038420635552
Energy: 0.5871481497037874
Energy: 0.6591038420624009
Energy: 0.5871481497041722
Energy: 0.5996930365486037
Energy: 0.7087657968115072
Energy: 0.5996930365482189
Energy: 0.7087657968107376
Energy: 0.5996930365501427
Energy: 0.7087657968099681
Energy: 0.6902412465334711
Energy: 0.6573418650138578
Energy: 0.6902412465315474
Energy: 0.6573418650127035
Energy: 0.6902412465315474
Energy: 0.6573418650127035
Energy: 0.6734872769169985
Energy: 0.599917955680775
Energy: 0.6735420323090653
Energy: 0.5999179556826989
Energy: 0.6734872769135355
Energy: 0.5999179556823141
Energy: 0.6437406591870467
Energy: 0.6695282861612998
Energy: 0.6443052154901455
Energy: 0.669528286160915
Energy: 0.6437406591905097
Energy: 0.669528286162839
Energy: 0.6580858735634824
Energy: 0.6434038191351333
Energy: 0.6580858735623281
Energy: 0.6434038191343637
Energy: 0.6580858735611738
Energy: 0.6434038191347485
Energy: 0.6164271390952384
Energy: 0.6501059652631331
Energy: 0.6164271390944689
Energy: 0.6501059652619788
Energy: 0.6164271390898516
Energy: 0.6501059652619788
Energy: 0.5891323545010404
Energy: 0.6594650071165615
Energy: 0.5891323544964232
Energy: 0.6594650071146378
Energy: 0.5891323544948842
Energy: 0.6594650071146378
Energy: 0.6554974264472238
Energy: 0.6668805801076133
Energy: 0.6554974264491475
Energy: 0.6668805801045351
Energy: 0.6554974264495322
Energy: 0.6668805801037656

minimum gb energy = 0.5870626826483216 eV
minimum distance =  2.48748887693955 Angstroms
sigma value = 41


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

Energy: 0.7517405608367591
Energy: 0.750882441529706
Energy: 0.7517405608367591
Energy: 0.750882441529706
Energy: 0.7517405608367591
Energy: 0.750882441529706
Energy: 0.7706833836140313
Energy: 0.7448157416484756
Energy: 0.7706833836140313
Energy: 0.7448157416474251
Energy: 0.7706833836129807
Energy: 0.7448157416474251
Energy: 0.8065717221843576
Energy: 0.743021675725207
Energy: 0.8065717221833072
Energy: 0.743021675725207
Energy: 0.8065717221833072
Energy: 0.7430216757262577
Energy: 0.7352174762221402
Energy: 0.8094672327526412
Energy: 0.7352174762221402
Energy: 0.8094672327526412
Energy: 0.7352174762221402
Energy: 0.8094672327526412
Energy: 0.8069733354501644
Energy: 0.7528362496711453
Energy: 0.8069733354501644
Energy: 0.7528362496711453
Energy: 0.8069733354501644
Energy: 0.7528362496711453
Energy: 0.814846730435472
Energy: 0.8060701033618892
Energy: 0.8148467304344215
Energy: 0.8060701033618892
Energy: 0.814846730437573
Energy: 0.8060701033618892
Energy: 0.7430747312890839
Energy: 0.7724203414396803
Energy: 0.7430747312890839
Energy: 0.7724203414396803
Energy: 0.7430747312890839
Energy: 0.7724203414396803
Energy: 0.7719722429757434
Energy: 0.7452174768576015
Energy: 0.771972242974693
Energy: 0.745217476856551
Energy: 0.7719722429736424
Energy: 0.7452174768576015
Energy: 0.777039583274026
Energy: 0.7725679878935261
Energy: 0.777039583274026
Energy: 0.7725679878935261
Energy: 0.777039583274026
Energy: 0.7725679878935261
Energy: 0.7351496543581851
Energy: 0.7761316297674784
Energy: 0.7351496543581851
Energy: 0.7761316297685289
Energy: 0.7351496543592355
Energy: 0.7761316297674784
Energy: 0.7698494057309593
Energy: 0.742674445474905
Energy: 0.7698494057309593
Energy: 0.742674445474905
Energy: 0.7698494057320098
Energy: 0.742674445474905
Energy: 0.7784632885347027
Energy: 0.7442026385372519
Energy: 0.7784632885347027
Energy: 0.7442026385383023
Energy: 0.7784632885336522
Energy: 0.7442026385383023
Energy: 0.7570543174924927
Energy: 0.8091532973341332
Energy: 0.7570543174935432
Energy: 0.8091532973330827
Energy: 0.7570543174935432
Energy: 0.8091532973330827
Energy: 0.806756571298853
Energy: 0.7451131165365517
Energy: 0.806756571298853
Energy: 0.7451131165365517
Energy: 0.806756571298853
Energy: 0.7451131165365517

minimum gb energy = 0.7351496543581851 eV
minimum distance =  2.61972485529638 Angstroms
sigma value = 11


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

Energy: 0.8952888155021291
Energy: 0.9129167630368114
Energy: 0.8952888155016675
Energy: 0.9129167630372729
Energy: 0.8952888155016675
Energy: 0.9129167630372729
Energy: 0.8985312999840402
Energy: 0.86989553203826
Energy: 0.8985312999845015
Energy: 0.86989553203826
Energy: 0.8985312999840402
Energy: 0.86989553203826
Energy: 0.9462609577064852
Energy: 0.8763516969778435
Energy: 0.9462609577064852
Energy: 0.8763516969778435
Energy: 0.9462609577051007
Energy: 0.8763516969778435
Energy: 0.8720880468016288
Energy: 0.9344229254809673
Energy: 0.8720880468011675
Energy: 0.9344229254814287
Energy: 0.8720880468016288
Energy: 0.9344229254818902
Energy: 0.9436707911108632
Energy: 0.8860386570465293
Energy: 0.9436707911090172
Energy: 0.8860386570465293
Energy: 0.9436707911104016
Energy: 0.8860386570465293
Energy: 0.8733828706885258
Energy: 0.9175171533334269
Energy: 0.8733828706876028
Energy: 0.9175171533325038
Energy: 0.8733828706876028
Energy: 0.9175171533334269
Energy: 0.8773154116444775
Energy: 0.9539322257325248
Energy: 0.877315411644939
Energy: 0.9539322257316017
Energy: 0.877315411644939
Energy: 0.9539322257320632
Energy: 0.9241598286106713
Energy: 0.8737114597063371
Energy: 0.9241598286102097
Energy: 0.8737114597067985
Energy: 0.9241598286097482
Energy: 0.8737114597063371
Energy: 0.9269938065605603
Energy: 0.8725695746196486
Energy: 0.9269938065619449
Energy: 0.8725695746196486
Energy: 0.9269938065619449
Energy: 0.8725695746196486
Energy: 0.8849272493200669
Energy: 0.9502994536115617
Energy: 0.8849272493200669
Energy: 0.9502994536120233
Energy: 0.8849272493196054
Energy: 0.9502994536092543
Energy: 0.8967151535542268
Energy: 0.8905268904807361
Energy: 0.8967151535546884
Energy: 0.8905268904825819
Energy: 0.8967151535542268
Energy: 0.890526890481659
Energy: 0.9131737103722121
Energy: 0.9132386798752065
Energy: 0.913173710371289
Energy: 0.9132386798752065
Energy: 0.9131737103722121
Energy: 0.9132386798752065
Energy: 0.8731804816227077
Energy: 0.9351501745520637
Energy: 0.8731804816217847
Energy: 0.9351501745511407
Energy: 0.8731804816222462
Energy: 0.9351501745516023
Energy: 0.9594427555288032
Energy: 0.8699002788168441
Energy: 0.9594427555297262
Energy: 0.8699002788168441
Energy: 0.9594427555297262
Energy: 0.8699002788168441
Energy: 0.9279404892934492
Energy: 0.8890267707842189
Energy: 0.9279404892929876
Energy: 0.8890267707837574
Energy: 0.9279404892934492
Energy: 0.8890267707837574
Energy: 0.8916920235125427
Energy: 0.929044089132836
Energy: 0.8916920235130043
Energy: 0.9290440891319129
Energy: 0.8916920235130043
Energy: 0.92904408913099
Energy: 0.935128858361023
Energy: 0.880806017463994
Energy: 0.935128858361023
Energy: 0.8808060174635324
Energy: 0.935128858361023
Energy: 0.8808060174635324
Energy: 0.9062108547284613
Energy: 0.9145087152316139
Energy: 0.9062108547279998
Energy: 0.9145087152316139
Energy: 0.9062108547279998
Energy: 0.9145087152316139
Energy: 0.881037922478108
Energy: 0.9143836783557023
Energy: 0.8810379224785695
Energy: 0.914383678355241
Energy: 0.881037922478108
Energy: 0.914383678355241
Energy: 0.9276454165382252
Energy: 0.8909756718695189
Energy: 0.9276454163675556
Energy: 0.8909756718699805
Energy: 0.9276454153623968
Energy: 0.8909756718695189
Energy: 0.8823931704099621
Energy: 0.9273182193145602
Energy: 0.8823931704099621
Energy: 0.9273182193145602
Energy: 0.8823931704095005
Energy: 0.9273182193145602
Energy: 0.8715341328345533
Energy: 0.9330562168756451
Energy: 0.8715341328345533
Energy: 0.9330562168742607
Energy: 0.8715341328345533
Energy: 0.9330562168779527
Energy: 0.9467059507148996
Energy: 0.8769896967528453
Energy: 0.9467059507148996
Energy: 0.8769896967528453
Energy: 0.9467059507148996
Energy: 0.876989696752384
Energy: 0.9319653681989732
Energy: 0.8695287321728398
Energy: 0.9319653681989732
Energy: 0.8695287321728398
Energy: 0.9319653681989732
Energy: 0.8695287321728398
Energy: 0.8838234131059384
Energy: 0.9350615491573547
Energy: 0.8838234131059384
Energy: 0.9350615491573547
Energy: 0.8838234131063999
Energy: 0.9350615491568934
Energy: 0.9244578245521851
Energy: 0.8915583885326901
Energy: 0.9244578245521851
Energy: 0.8915583885331515
Energy: 0.9244578245521851
Energy: 0.8915583885326901
Energy: 0.8800921376930619
Energy: 0.9580462309408075
Energy: 0.8800921376935236
Energy: 0.9580462309398846
Energy: 0.8800921376930619
Energy: 0.9580462309394231
Energy: 0.8686406282934555
Energy: 0.9190942899980108
Energy: 0.8686406282934555
Energy: 0.9190942899980108
Energy: 0.8686406282934555
Energy: 0.9190942899980108
Energy: 0.9324944434614815
Energy: 0.8858387440694484
Energy: 0.9324944434596356
Energy: 0.8858387440694484
Energy: 0.9324944434600971
Energy: 0.8858387440685255
Energy: 0.9026241679821169
Energy: 0.8783995559817673
Energy: 0.9026241679821169
Energy: 0.8783995559831518
Energy: 0.9026241679816552
Energy: 0.8783995559826903
Energy: 0.882034940732328
Energy: 0.9398505654276077
Energy: 0.882034940732328
Energy: 0.9398505654257617
Energy: 0.882034940732328
Energy: 0.9398505654285306

minimum gb energy = 0.8686406282934555 eV
minimum distance =  2.56837113465257 Angstroms
sigma value = 57


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

Energy: 0.9354185833408212
Energy: 1.060254359173963
Energy: 0.9354185833399998
Energy: 1.060254359173963
Energy: 0.9354185833424636
Energy: 1.060254359173963
Energy: 0.9336386204560695
Energy: 0.9461092006154759
Energy: 0.9336386204568906
Energy: 0.9461092006154759
Energy: 0.9336386204568906
Energy: 0.9461092006154759
Energy: 1.0239914050758083
Energy: 0.9529364307138679
Energy: 1.0239914050758083
Energy: 0.9529364307138679
Energy: 1.0239914050741659
Energy: 0.9529364307138679
Energy: 0.9277634671595234
Energy: 0.9825030875389339
Energy: 0.927763467161166
Energy: 0.9825030875405764
Energy: 0.9277634671595234
Energy: 0.9825030875413976
Energy: 1.0239736366935894
Energy: 0.952945772495826
Energy: 1.023973636695232
Energy: 0.952945772495826
Energy: 1.023973636696053
Energy: 0.952945772495826
Energy: 0.9335730693297205
Energy: 0.9462019846881139
Energy: 0.9335730693305416
Energy: 0.9462019846881139
Energy: 0.9335730693305416
Energy: 0.9462019846881139
Energy: 0.9354185833399998
Energy: 1.060254359173963
Energy: 0.9354185833399998
Energy: 1.0602543591747842
Energy: 0.9354185833399998
Energy: 1.060254359173963
Energy: 0.9336386204593544
Energy: 0.9461092006171183
Energy: 0.9336386204593544
Energy: 0.9461092006162971
Energy: 0.9336386204593544
Energy: 0.9461092006162971
Energy: 1.0239914050766297
Energy: 0.9529364307155104
Energy: 1.0239914050758083
Energy: 0.9529364307155104
Energy: 1.0239914050749872
Energy: 0.9529364307155104
Energy: 0.9277634671595234
Energy: 0.9825030875438614
Energy: 0.9277634671595234
Energy: 0.9825030875446825
Energy: 0.9277634671595234
Energy: 0.98250308754304
Energy: 1.023973636695232
Energy: 0.9529457724941836
Energy: 1.0239736366944105
Energy: 0.9529457724933624
Energy: 1.023973636692768
Energy: 0.9529457724933624
Energy: 0.9335730693321841
Energy: 0.9462019846922199
Energy: 0.9335730693321841
Energy: 0.9462019846913987
Energy: 0.9335730693321841
Energy: 0.9462019846913987
Energy: 0.9354185833408212
Energy: 1.060254359173963
Energy: 0.9354185833399998
Energy: 1.060254359173963
Energy: 0.9354185833424636
Energy: 1.0602543591747842
Energy: 0.9336386204568906
Energy: 0.9461092006154759
Energy: 0.9336386204568906
Energy: 0.9461092006154759
Energy: 0.9336386204568906
Energy: 0.9461092006154759
Energy: 1.0239914050758083
Energy: 0.9529364307138679
Energy: 1.0239914050758083
Energy: 0.9529364307138679
Energy: 1.0239914050749872
Energy: 0.9529364307138679
Energy: 0.9277634671587023
Energy: 1.0044787143906895
Energy: 0.9277634671587023
Energy: 0.9825030875389339
Energy: 0.9277634671603447
Energy: 0.9825030875397551
Energy: 1.023973636695232
Energy: 0.952945772495826
Energy: 1.023973636695232
Energy: 0.952945772495826
Energy: 1.0239736366968744
Energy: 0.952945772495826

minimum gb energy = 0.9277634671587023 eV
minimum distance =  2.57162648630415 Angstroms
sigma value = 9


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

Energy: 0.9718189930045756
Energy: 0.9877713437008899
Energy: 0.9718189930052461
Energy: 0.9877713437008899
Energy: 0.9718189930045756
Energy: 0.9877713437008899
Energy: 0.9875715444835074
Energy: 0.9784004699497486
Energy: 0.9875715444841779
Energy: 0.9784004699490781
Energy: 0.9875715444841779
Energy: 0.9784004699510898
Energy: 1.0211813438102635
Energy: 0.9598627657975514
Energy: 1.021181343813616
Energy: 0.9598627657988925
Energy: 1.0211813438116044
Energy: 0.9598627657982219
Energy: 0.9367945285649004
Energy: 1.0444320296584972
Energy: 0.93679452856423
Energy: 1.044432029656516
Energy: 0.9367945285649004
Energy: 1.0444320296571865
Energy: 0.9855729613498304
Energy: 0.9592621019068103
Energy: 0.9855729613498304
Energy: 0.9592621019068103
Energy: 0.9855729613498304
Energy: 0.9592621019061398
Energy: 1.0111422928317257
Energy: 0.9462440414619618
Energy: 1.0111422928303848
Energy: 0.9462440414619618
Energy: 1.0111422928297142
Energy: 0.9462440414619618
Energy: 0.9344796949105333
Energy: 1.032816955065359
Energy: 0.9344796949098627
Energy: 1.0328169550640176
Energy: 0.9344796949091922
Energy: 1.032816955063347
Energy: 0.9321349935002918
Energy: 1.0092778804152698
Energy: 0.9321349934989508
Energy: 1.0092778804139289
Energy: 0.9321349934989508
Energy: 1.0092778804145994
Energy: 1.0468777524365966
Energy: 0.9594370018765163
Energy: 1.0468777524379378
Energy: 0.9594370018751751
Energy: 1.046877752435926
Energy: 0.9594370018745045
Energy: 0.9366980898388185
Energy: 1.0069040002310994
Energy: 0.9366980898388185
Energy: 1.0069040002310994
Energy: 0.9366980898394891
Energy: 1.0069040002310994
Energy: 0.992873829461877
Energy: 0.9884532484481716
Energy: 0.9928738294632179
Energy: 0.988453248447501
Energy: 0.9928738294632179
Energy: 0.988453248447501
Energy: 1.0253767761415769
Energy: 0.9467304697825286
Energy: 1.0253767761462704
Energy: 0.9467304697825286
Energy: 1.0253767761476116
Energy: 0.9467304697831992
Energy: 0.9328641714752104
Energy: 1.029863524085998
Energy: 0.9328641714745399
Energy: 1.029863524085998
Energy: 0.9328641714752104
Energy: 1.0298635240853273
Energy: 0.9845585919422623
Energy: 1.0116841482487917
Energy: 0.9845585919415918
Energy: 1.0116841482487917
Energy: 0.9845585919409212
Energy: 1.0116841482467802
Energy: 1.0197799218158754
Energy: 0.9445295508864942
Energy: 1.0197799218158754
Energy: 0.9445295508864942
Energy: 1.019779921816546
Energy: 0.9445295508871648
Energy: 0.9688312695909898
Energy: 1.0371193765589728
Energy: 0.9688312695896486
Energy: 1.0371193765609845
Energy: 0.9688312695903191
Energy: 1.0371193765589728
Energy: 0.9700180099225542
Energy: 1.0361362350151724
Energy: 0.9700180099225542
Energy: 1.0361362350158427
Energy: 0.9700180099232246
Energy: 1.0361362350145018
Energy: 1.1211465391270334
Energy: 0.9465123958878615
Energy: 1.1211465391256923
Energy: 0.9465123958878615
Energy: 1.121146539127704
Energy: 0.9465123958878615
Energy: 0.9483707226154772
Energy: 1.020587681248511
Energy: 0.9483707226168183
Energy: 1.0205876812505228
Energy: 0.9483707226161477
Energy: 1.0205876812511934
Energy: 0.9644929378557217
Energy: 0.9770511701771132
Energy: 0.9644929378563922
Energy: 0.9770511701771132
Energy: 0.9644929378563922
Energy: 0.9770511701771132
Energy: 1.0227303634494374
Energy: 0.9494525706296786
Energy: 1.0227303634494374
Energy: 0.9494525706296786
Energy: 1.022730363450108
Energy: 0.9494525706296786

minimum gb energy = 0.9321349934989508 eV
minimum distance =  2.57666275760318 Angstroms
sigma value = 27


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

Energy: 1.0299488735462543
Energy: 1.0091148739394564
Energy: 0.9996212376688688
Energy: 1.0091148739388913
Energy: 1.0299488735372109
Energy: 1.0091148739400218
Energy: 1.0654387498328504
Energy: 0.9554621043621042
Energy: 1.065438749832285
Energy: 0.9554621043621042
Energy: 1.0654387498328504
Energy: 0.9554621043570429
Energy: 0.995799640920753
Energy: 0.979135412489591
Energy: 0.9957996409196227
Energy: 0.979135412489591
Energy: 0.995799640920753
Energy: 0.9791354124901562
Energy: 0.9734470116158003
Energy: 1.0312275730153193
Energy: 0.9734470116152352
Energy: 1.0312275730147542
Energy: 0.9734470116158003
Energy: 1.0312275730147542
Energy: 0.953828835962267
Energy: 1.0318594009495528
Energy: 0.9538288359628323
Energy: 1.031859400948422
Energy: 0.953828835962267
Energy: 1.0318594009535091
Energy: 1.0200945833910504
Energy: 1.0379432921421292
Energy: 1.0200945833910504
Energy: 1.0379432921421292
Energy: 1.020094583390485
Energy: 1.0379432921426943
Energy: 0.9603872839492924
Energy: 1.052017634946659
Energy: 0.9603872839492924
Energy: 1.0520176349471984
Energy: 0.9603872839475966
Energy: 1.0520176349455286
Energy: 1.039842837519887
Energy: 0.9946266053651132
Energy: 1.0398428375187567
Energy: 0.9946266053651132
Energy: 1.0398428375204523
Energy: 0.9946266053628523
Energy: 1.0723522361538818
Energy: 0.9574979879620749
Energy: 1.072251345909893
Energy: 0.95749798796264
Energy: 1.0723522361550122
Energy: 0.9574979879615095
Energy: 1.0402064298187295
Energy: 0.9758725183029604
Energy: 1.0407633279213668
Energy: 0.9758725183029604
Energy: 1.0402064298181646
Energy: 0.975872518304091
Energy: 1.041702430716014
Energy: 0.9919446650852839
Energy: 1.0421662997943202
Energy: 0.9919446650852839
Energy: 1.0417024307165796
Energy: 0.9919446650875449
Energy: 1.041961967098992
Energy: 0.9566408580272452
Energy: 1.041961967099557
Energy: 0.9566408580272452
Energy: 1.041961967098992
Energy: 0.9566408580272452
Energy: 0.9952534379357959
Energy: 1.0265391535945778
Energy: 0.9952534379318394
Energy: 1.0265391535934472
Energy: 0.9952534379363611
Energy: 1.0265391535917516
Energy: 0.9610139659119564
Energy: 0.9730273558278499
Energy: 0.9610139659113912
Energy: 0.9730273558278499
Energy: 0.9610139659119564
Energy: 0.9730273558295456
Energy: 1.022216352187008
Energy: 1.0101316913464162
Energy: 1.023351644030668
Energy: 1.0101316913464162
Energy: 1.0222163521858776
Energy: 1.0101316913441554
Energy: 0.9636530758279499
Energy: 0.9714960837050057
Energy: 0.9636530758273848
Energy: 0.971496083705545
Energy: 0.9636530758279499
Energy: 0.9714960837050057
Energy: 0.978542758300028
Energy: 0.9978238705585096
Energy: 0.9785427583005933
Energy: 0.9978238705590746
Energy: 0.978542758300028
Energy: 0.9978238705590746
Energy: 1.0301155171541807
Energy: 0.9787419284791323
Energy: 1.0301155171530505
Energy: 0.9787419284796975
Energy: 1.0301155171536156
Energy: 0.9787419284763061
Energy: 1.0235796932389263
Energy: 0.9563192328749566
Energy: 0.9875260316206782
Energy: 0.9563192328749566
Energy: 1.0235796932389263
Energy: 0.956319232878348
Energy: 1.0299488735445588
Energy: 1.009114873937761
Energy: 0.9996212376688688
Energy: 1.0091148739360654
Energy: 1.0299488735360807
Energy: 1.0091148739383262
Energy: 1.0654387498350855
Energy: 0.9554621043604085
Energy: 1.06543874983339
Energy: 0.9554621043604085
Energy: 1.0654387498345201
Energy: 0.9554621043559125
Energy: 0.995799640920753
Energy: 0.9791354124924171
Energy: 0.9957996409196227
Energy: 0.9791354124929823
Energy: 0.995799640920753
Energy: 0.9791354124918519
Energy: 0.9734470116158003
Energy: 1.031227573017015
Energy: 0.9734470116141046
Energy: 1.031227573017015
Energy: 0.9734470116158003
Energy: 1.0312275730175802
Energy: 0.9538288359639625
Energy: 1.0318594009456217
Energy: 0.9538288359639625
Energy: 1.0318594009444915
Energy: 0.9538288359633975
Energy: 1.0318594009472917
Energy: 1.020094583390485
Energy: 1.0379432921432594
Energy: 1.02009458338992
Energy: 1.0379432921438247
Energy: 1.020094583390485
Energy: 1.0379432921426943

minimum gb energy = 0.953828835962267 eV
minimum distance =  2.52906471781449 Angstroms
sigma value = 19


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

Energy: 0.9745117122437083
Energy: 0.9493296329419012
Energy: 0.9745117122446839
Energy: 0.9493296329414133
Energy: 0.9745117122456598
Energy: 0.9493296329419012
Energy: 0.9487342923987965
Energy: 0.9421070929676563
Energy: 0.9487342923987965
Energy: 0.9421070929676563
Energy: 0.9487342923983085
Energy: 0.9421070929681442
Energy: 0.9641100712657039
Energy: 0.9317493751207964
Energy: 0.9641100712637524
Energy: 0.9317493751207964
Energy: 0.9641100712661919
Energy: 0.9317493751207964
Energy: 0.9340946757793259
Energy: 0.9570601526940875
Energy: 0.9340946757788381
Energy: 0.9570601526940875
Energy: 0.9340946757788381
Energy: 0.9570601526940875
Energy: 0.9379008775129896
Energy: 0.953242559993351
Energy: 0.9379008775129896
Energy: 0.9532425599938389
Energy: 0.9379008775129896
Energy: 0.9532425599943266
Energy: 0.9641597348580565
Energy: 0.9427333181019083
Energy: 0.9641597348580565
Energy: 0.9427333181023962
Energy: 0.9641597348575686
Energy: 0.9427333181023962
Energy: 0.9334915722470285
Energy: 0.949199393878984
Energy: 0.9334915722465408
Energy: 0.9491993938799597
Energy: 0.9334915722465408
Energy: 0.9491993938799597
Energy: 0.937549552144953
Energy: 0.9572097644024249
Energy: 0.937549552144953
Energy: 0.9572097644034007
Energy: 0.9375495521454408
Energy: 0.9572097644024249
Energy: 0.9962298673399281
Energy: 0.9314020962046204
Energy: 0.996229867344807
Energy: 0.9314020962012051
Energy: 0.9962298673384645
Energy: 0.9314020962051082
Energy: 0.9458392139557308
Energy: 0.9517145959352691
Energy: 0.9458392139557308
Energy: 0.9517145959347812
Energy: 0.9458392139557308
Energy: 0.9517145959347812
Energy: 0.9345720930723344
Energy: 0.9875357313039905
Energy: 0.9345720930713586
Energy: 0.9875357313054542
Energy: 0.9345720930718465
Energy: 0.9875357313049663
Energy: 0.9723711268986976
Energy: 0.9334737009969744
Energy: 0.9723711268986976
Energy: 0.9334737009974621
Energy: 0.972371126897722
Energy: 0.9334737009974621
Energy: 0.9330303706498797
Energy: 0.942746347806232
Energy: 0.9330303706513434
Energy: 0.9427463478042803
Energy: 0.9330303706503675
Energy: 0.9427463478037925
Energy: 0.9335261986711466
Energy: 0.9524459542710795
Energy: 0.9335261986711466
Energy: 0.9524459542710795
Energy: 0.9335261986711466
Energy: 0.9524459542705915
Energy: 0.9590874167367396
Energy: 0.9326561568746177
Energy: 0.9590874167343222
Energy: 0.9326561568746177
Energy: 0.959087416734788
Energy: 0.9326561568751055
Energy: 0.9712447031314501
Energy: 0.9266960266681705
Energy: 0.9712447031324257
Energy: 0.9266960266681705
Energy: 0.9712447031324257
Energy: 0.9266960266681705
Energy: 0.9348576760929108
Energy: 0.9749797819177151
Energy: 0.9348576760933986
Energy: 0.9749797819172272
Energy: 0.9348576760938866
Energy: 0.9749797819177151
Energy: 0.9719717358540384
Energy: 0.9517383215371935
Energy: 0.9719717358535505
Energy: 0.9517383215371935
Energy: 0.9719717358530627
Energy: 0.9517383215376815
Energy: 0.9982534180286063
Energy: 0.9428847135605544
Energy: 0.9982534180320214
Energy: 0.9428847135605544
Energy: 0.9459480026055244
Energy: 0.9428847135595787
Energy: 0.9365316153402389
Energy: 0.9499563637710204
Energy: 0.9365316153402389
Energy: 0.9499563637710204
Energy: 0.9365316153407268
Energy: 0.9499563637715083
Energy: 0.9282648220973871
Energy: 0.9738305890594402
Energy: 0.9282648220978751
Energy: 0.9738305890599279
Energy: 0.9282648220978751
Energy: 0.9738305890604159
Energy: 0.9986219652894898
Energy: 0.9256820124147686
Energy: 0.9986219541608318
Energy: 0.9256820124118412
Energy: 0.9986219523325601
Energy: 0.9256820124157444
Energy: 0.9549963620528776
Energy: 0.9490768220054394
Energy: 0.9549963620523898
Energy: 0.9490768220049516
Energy: 0.9549963620514361
Energy: 0.9490768220044636
Energy: 0.95668231257965
Energy: 0.9519945271473863
Energy: 0.95668231257965
Energy: 0.951994527148362
Energy: 0.9566823125791623
Energy: 0.9519945271493379
Energy: 0.9467337255157873
Energy: 0.9313577292974697
Energy: 0.9467337255162752
Energy: 0.9313577292964941
Energy: 0.9467337255162752
Energy: 0.9313577292974697
Energy: 0.9467371619488258
Energy: 0.9391264005578102
Energy: 0.9467371619488258
Energy: 0.9391264005578102
Energy: 0.9467371619483379
Energy: 0.9391264005578102
Energy: 0.9296051650862039
Energy: 0.9783714635980532
Energy: 0.929605165085716
Energy: 0.9783714635975654
Energy: 0.929605165085716
Energy: 0.978371463599029
Energy: 0.9559614440864115
Energy: 0.9422108629376469
Energy: 0.9559614440868993
Energy: 0.9422108629386228
Energy: 0.9559614440849478
Energy: 0.9422108629386228
Energy: 0.929136220028998
Energy: 0.9464702921546598
Energy: 0.9291362200309495
Energy: 0.9464702921546598
Energy: 0.9291362200285321
Energy: 0.9464702921546598

minimum gb energy = 0.9256820124118412 eV
minimum distance =  2.53820903642385 Angstroms
sigma value = 101


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

Energy: 0.9526121368768334
Energy: 0.9314682527684154
Energy: 0.9526121368768334
Energy: 0.9314682527684154
Energy: 0.9526121368764044
Energy: 0.9314682527684154
Energy: 0.926435790209002
Energy: 0.9066458675066291
Energy: 0.9264357902098598
Energy: 0.9066458675070581
Energy: 0.9264357902098598
Energy: 0.9066458675070581
Energy: 0.9265262065892429
Energy: 0.9123466821402465
Energy: 0.9265262065892429
Energy: 0.9123466821398372
Energy: 0.9265262065896719
Energy: 0.9123466821398372
Energy: 0.8987435688831357
Energy: 0.9261019612802959
Energy: 0.8987435688827069
Energy: 0.9261019612802959
Energy: 0.8987435688827069
Energy: 0.926101961280725
Energy: 0.9059552101315196
Energy: 0.9189440433082303
Energy: 0.9059552101319484
Energy: 0.9189440433082303
Energy: 0.9059552101315196
Energy: 0.9189440433082303
Energy: 0.9106700097892848
Energy: 0.9103347803185949
Energy: 0.9106700097897138
Energy: 0.910334780318166
Energy: 0.9106700097897138
Energy: 0.9103347803185949
Energy: 0.907734850424674
Energy: 0.9304609380132962
Energy: 0.9077348504251027
Energy: 0.9304609380128673
Energy: 0.907734850424674
Energy: 0.9304609380128673
Energy: 0.9025947411218208
Energy: 0.926736825695257
Energy: 0.9025947411218208
Energy: 0.926736825695257
Energy: 0.9025947411231074
Energy: 0.9267368256956858
Energy: 0.9114347344701179
Energy: 0.9093169438778246
Energy: 0.9114347344701179
Energy: 0.9093169438778246
Energy: 0.911434734470547
Energy: 0.9093169438778246
Energy: 0.9162417528207706
Energy: 0.914504377503901
Energy: 0.9162417528203416
Energy: 0.9145043775047587
Energy: 0.9162417528203416
Energy: 0.9145043775051876
Energy: 0.9085849104156389
Energy: 1.037896217875093
Energy: 0.9085849104152102
Energy: 1.0378962178742355
Energy: 0.9085849104156389
Energy: 1.0378962178738063
Energy: 0.9342188257229548
Energy: 0.9064522106172972
Energy: 0.9342188257220969
Energy: 0.9064522106168684
Energy: 0.934218825721668
Energy: 0.9064522106168684
Energy: 0.9015491581804714
Energy: 0.9117330144618857
Energy: 0.9015491581804714
Energy: 0.9117330144623146
Energy: 0.9015491581804714
Energy: 0.9117330144623146
Energy: 0.9163331687917229
Energy: 0.9438893290013378
Energy: 0.9163331687921518
Energy: 0.9438893290000512
Energy: 0.9163331687930096
Energy: 0.9438893289996224
Energy: 0.9138230547702966
Energy: 0.9162782351926861
Energy: 0.9138230547677232
Energy: 0.9162782351935438
Energy: 0.9138230547685811
Energy: 0.9162782351939729
Energy: 0.9267133779088788
Energy: 0.91164507656271
Energy: 0.9267133779105942
Energy: 0.91164507656271
Energy: 0.9267133779105942
Energy: 0.911645076563139
Energy: 0.8986292579612469
Energy: 0.94240539476889
Energy: 0.8986292579621046
Energy: 0.942405394769319
Energy: 0.8986292579616758
Energy: 0.94240539476889
Energy: 0.9024800903094075
Energy: 0.9177493162690962
Energy: 0.9024800903089787
Energy: 0.9177493162708117
Energy: 0.9024800903072633
Energy: 0.9177493162703828
Energy: 0.9106263896465062
Energy: 0.9096738137751385
Energy: 0.9106263896469352
Energy: 0.9096738137751385
Energy: 0.9106263896477927
Energy: 0.9096738137751385
Energy: 0.9159055323085542
Energy: 0.9072384897341973
Energy: 0.915905532309412
Energy: 0.9072384897329107
Energy: 0.915905532309412
Energy: 0.9072384897341973
Energy: 0.9054954169633056
Energy: 1.0206093938691472
Energy: 0.9054954169633056
Energy: 1.0206093938678606
Energy: 0.9054954169637345
Energy: 1.020609393869576
Energy: 0.949611072284828
Energy: 0.9069257444559327
Energy: 0.949611072277966
Energy: 0.9069257444555037
Energy: 0.9496110722852569
Energy: 0.906925744454646
Energy: 0.9439999909821223
Energy: 0.9119077160666637
Energy: 0.9439999909812646
Energy: 0.9119077160666637
Energy: 0.9439999909834089
Energy: 0.9119077160666637
Energy: 0.8989864384281946
Energy: 1.0023984792632186
Energy: 0.8989864384277656
Energy: 1.0023984792645053
Energy: 0.8989864384277656
Energy: 1.0023984792649343
Energy: 0.9332842087634922
Energy: 0.9155032643183367
Energy: 0.9332842087647787
Energy: 0.9155032643187657
Energy: 0.9332842087630633
Energy: 0.9155032643187657
Energy: 0.9024607504581238
Energy: 0.911558814120053
Energy: 0.9024607504576949
Energy: 0.911558814120053
Energy: 0.9024607504572659
Energy: 0.911558814120053
Energy: 0.9175795392086729
Energy: 0.9469381824114174
Energy: 0.9175795392091016
Energy: 0.9469381824109883
Energy: 0.9175795392091016
Energy: 0.9469381824118461
Energy: 0.9177448105070042
Energy: 0.9221344635360419
Energy: 0.9177448105070042
Energy: 0.9221344635364708
Energy: 0.9177448105070042
Energy: 0.9221344635416173
Energy: 1.0031110656885942
Energy: 0.9092911152366764
Energy: 1.0031110656885942
Energy: 0.9092911152362476
Energy: 1.0031110656890232
Energy: 0.9092911152366764
Energy: 0.9017829365745514
Energy: 0.9149498208294914
Energy: 0.9017829365736936
Energy: 0.9149498208286336
Energy: 0.9017829365741226
Energy: 0.9149498208299203
Energy: 0.9050886417291273
Energy: 0.9225293787360571
Energy: 0.9050886417278406
Energy: 0.9225293787364859
Energy: 0.9050886417274118
Energy: 0.9225293787373438
Energy: 0.9500345621865973
Energy: 0.9067445033873507
Energy: 0.9500345621865973
Energy: 0.9067445033877796
Energy: 0.9500345621827375
Energy: 0.9067445033873507
Energy: 0.9467901192712899
Energy: 0.9101480562618832
Energy: 0.9467901192695743
Energy: 0.9101480562635987
Energy: 0.946790119270861
Energy: 0.910148056262741

minimum gb energy = 0.8986292579612469 eV
minimum distance =  2.54827774178332 Angstroms
sigma value = 33


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

Energy: 0.010286709623474624
Energy: 0.5616745904527954
Energy: 0.010286709623474624
Energy: 0.561674590453132
Energy: 0.010286709623474624
Energy: 0.5616745904534883
Energy: 0.010830271130753686
Energy: 0.16934370390171588
Energy: 0.010830271130753686
Energy: 0.16934370390066664
Energy: 0.010830271130753686
Energy: 0.16934370390066664
Energy: 0.5619058822604268
Energy: 0.16913188441827806
Energy: 0.561906228346599
Energy: 0.16912451686055527
Energy: 0.5619058462461339
Energy: 0.16912382446672547
Energy: 0.010830271130417143
Energy: 0.16934370390137934
Energy: 0.010830271130417143
Energy: 0.16934370390066664
Energy: 0.010830271130417143
Energy: 0.1693437038996372

minimum gb energy = 0.010286709623474624 eV
minimum distance =  2.83335590999595 Angstroms
sigma value = 1