Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1435002833604813
cohesive_energy=6.694239684074787
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017128887763199135
Energy: 0.01913373800650226
Energy: 0.15726386296920367
Energy: 0.019133738006917
Energy: 0.017128887763199135
Energy: 0.019133738006917
Energy: 0.019133738006917
Energy: 5.199678096386714
Energy: 0.01913373800650226
Energy: 5.199678096387128
Energy: 0.019133738006917
Energy: 4.685851367311033
Energy: 0.1572638629704479
Energy: 0.019133738006917
Energy: 0.017128887763613876
Energy: 0.019133738007331744
Energy: 0.15726386297086262
Energy: 0.019133738006917
Energy: 0.019133738006917
Energy: 5.1996780963879115
Energy: 0.019133738007331744
Energy: 5.477188543041128
Energy: 0.01913373800650226
Energy: 5.199678096388742
Energy: 0.017128887763199135
Energy: 0.019133738007331744
Energy: 0.1572638629704479
Energy: 0.019133738007331744
Energy: 0.017128887763199135
Energy: 0.019133738007331744
Energy: 0.019133738006917
Energy: 4.685851367310204
Energy: 0.019133738006917
Energy: 5.199678096389156
Energy: 0.019133738006917
Energy: 4.685851367311033

minimum gb energy = 0.017128887763199135 eV
minimum distance =  2.65473481093824 Angstroms
sigma value = 1


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

Energy: 2.821944553856808
Energy: 2.356898585195721
Energy: 2.5466892178997056
Energy: 2.3568985851967192
Energy: 2.821944553856808
Energy: 2.3568985851967192
Energy: 2.7382641132818564
Energy: 2.1973330097456216
Energy: 2.529888434377662
Energy: 2.197333009744623
Energy: 2.7382641132828547
Energy: 2.197333009744623
Energy: 2.5519543356470655
Energy: 2.1975123395238714
Energy: 2.8314327093062825
Energy: 2.1975123395238714
Energy: 2.55195433564407
Energy: 2.1975123395238714
Energy: 2.5489469542932373
Energy: 2.1330917567117336
Energy: 2.528544127730951
Energy: 2.1330917567127314
Energy: 2.5489440767638643
Energy: 2.1330917567137297
Energy: 2.8543977423870235
Energy: 2.356387473456466
Energy: 2.8550574645911206
Energy: 2.3563874734554675
Energy: 2.8543977423870235
Energy: 2.356387473454469
Energy: 2.832861011039536
Energy: 2.1983972493081607
Energy: 2.550876908983319
Energy: 2.1983972493081607
Energy: 2.832861011040534
Energy: 2.1983972493081607
Energy: 2.83129375998681
Energy: 2.1988142223998386
Energy: 2.5506800084143975
Energy: 2.1988142223998386
Energy: 2.8312937599888066
Energy: 2.1988142223998386
Energy: 2.9112463075845896
Energy: 2.3562357535258864
Energy: 2.531870834928372
Energy: 2.3562357535258864
Energy: 2.9112463075865866
Energy: 2.3562357535268394
Energy: 2.7034911615002377
Energy: 2.133675717008094
Energy: 2.5275932306074322
Energy: 2.1336757170110894
Energy: 2.7034037099498756
Energy: 2.1336757170110894
Energy: 2.83565862932668
Energy: 2.19722480598009
Energy: 2.5503834877604823
Energy: 2.197224805978093
Energy: 2.8356586293276784
Energy: 2.197224805978093
Energy: 2.54143855297725
Energy: 1.9935673676033157
Energy: 2.5302746705930406
Energy: 1.993567367604314
Energy: 2.541450116101521
Energy: 1.993567367604314
Energy: 2.529671449861032
Energy: 2.356686141572021
Energy: 2.5296721428362225
Energy: 2.356686141572021
Energy: 2.5296714498600337
Energy: 2.3566861415710227
Energy: 2.5301924512522946
Energy: 1.9935673676023176
Energy: 2.5515697146181693
Energy: 1.9935673676023176
Energy: 2.530192451207416
Energy: 1.9935673676023176
Energy: 2.550305761600588
Energy: 2.197255774566223
Energy: 2.8358416399760547
Energy: 2.197255774566223
Energy: 2.5503057616025844
Energy: 2.197255774565224
Energy: 2.5276509119827484
Energy: 2.133684754765132
Energy: 2.7035078496628184
Energy: 2.1336847547671285
Energy: 2.5276509119837463
Energy: 2.13368475476613
Energy: 2.5320925347390344
Energy: 2.3562951278950854
Energy: 2.9111122114305426
Energy: 2.356295127894087
Energy: 2.5320925347390344
Energy: 2.356295127894087
Energy: 2.5506478278548776
Energy: 2.1988640788786133
Energy: 2.8314095213342934
Energy: 2.1988640788766167
Energy: 2.5506478278618663
Energy: 2.1988640788766167
Energy: 2.5507867450103476
Energy: 2.1983820708302386
Energy: 2.832737173345468
Energy: 2.198382070827244
Energy: 2.550786745011346
Energy: 2.198382070827244
Energy: 2.69291461994277
Energy: 2.35646194261864
Energy: 2.8546144656881944
Energy: 2.35646194261864
Energy: 2.69291461994277
Energy: 2.35646194261864
Energy: 2.5285749409028124
Energy: 2.1330727942248697
Energy: 2.548875315571998
Energy: 2.1330727942248697
Energy: 2.5285749409038107
Energy: 2.1330727942248697
Energy: 2.8314040328687056
Energy: 2.1975132133275657
Energy: 2.5518941909981634
Energy: 2.1975132133285635
Energy: 2.8314040328687056
Energy: 2.1975132133285635
Energy: 2.5298739128011856
Energy: 2.197387173268973
Energy: 2.7389806512781627
Energy: 2.1973871732699712
Energy: 2.52987391279819
Energy: 2.1973871732699712
Energy: 2.5627244874971384
Energy: 2.356898585197717
Energy: 2.8219445538548116
Energy: 2.356898585197717
Energy: 2.5627240545519325
Energy: 2.3568985851987154

minimum gb energy = 1.9935673676023176 eV
minimum distance =  2.53491567605626 Angstroms
sigma value = 33


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

Energy: 2.8544149766277878
Energy: 2.509780932369792
Energy: 2.5680802034512826
Energy: 2.509780932370928
Energy: 2.8544149766221096
Energy: 2.509780932370928
Energy: 2.6856705465927035
Energy: 2.3101675595071463
Energy: 2.6993458984920546
Energy: 2.3101675595071463
Energy: 2.685683607525156
Energy: 2.3101675595077134
Energy: 2.7037317871131674
Energy: 2.509606524584635
Energy: 3.1401572096595665
Energy: 2.5096065245857706
Energy: 2.703731787114304
Energy: 2.509606524585203
Energy: 2.690911467745612
Energy: 2.271076995040025
Energy: 2.689912928993203
Energy: 2.2710769950405933
Energy: 2.6909114677387977
Energy: 2.271076995040025
Energy: 2.8044162113353597
Energy: 2.4025763608113437
Energy: 3.0035389538285187
Energy: 2.4025763608085042
Energy: 2.8044396608119047
Energy: 2.4025763608090727
Energy: 2.688625437090855
Energy: 2.4020595930209634
Energy: 2.708244907848457
Energy: 2.402059593022667
Energy: 2.6886182189799666
Energy: 2.402059593022667
Energy: 2.680213755029607
Energy: 2.4017662206246015
Energy: 2.736053013909485
Energy: 2.4017662206228985
Energy: 2.680213981901649
Energy: 2.401766220623466
Energy: 2.72006011012018
Energy: 2.4021627185404832
Energy: 2.925278619260329
Energy: 2.4021627185399157
Energy: 2.7200601101179087
Energy: 2.4021627185393477
Energy: 2.698427095692957
Energy: 2.271534806990672
Energy: 2.6842545526279187
Energy: 2.271534806989536
Energy: 2.695313600670126
Energy: 2.2715348069889685
Energy: 2.8611777082772765
Energy: 2.5095879220503243
Energy: 2.876357811723235
Energy: 2.509587922053164
Energy: 2.861177708277844
Energy: 2.509587922053164
Energy: 2.6806252618726076
Energy: 2.1872465164239427
Energy: 2.6974978366559377
Energy: 2.1872465164267814
Energy: 2.6807415071581207
Energy: 2.187246516425646
Energy: 3.1272178527049594
Energy: 2.4019214961666258
Energy: 2.791510936869493
Energy: 2.4019214961649222
Energy: 3.1272178527049594
Energy: 2.4019214961643542
Energy: 3.104227204761559
Energy: 2.3618515130141753
Energy: 2.6794527909809696
Energy: 2.3618515130141753
Energy: 3.104227204762694
Energy: 2.3618515130136073
Energy: 2.724583806805085
Energy: 2.5096558750200084
Energy: 2.853379604827348
Energy: 2.5096558750200084
Energy: 2.724583802118429
Energy: 2.5096558750200084
Energy: 3.0865042525826842
Energy: 2.402425908749986
Energy: 2.7016568958366287
Energy: 2.4024259087488504
Energy: 3.08650425258382
Energy: 2.4024259087482824
Energy: 3.0861531129473754
Energy: 2.4023741461371655
Energy: 2.7593357527435254
Energy: 2.402374146136598
Energy: 3.0861531129473754
Energy: 2.4023741461371655
Energy: 3.1031071087393136
Energy: 2.4020323570732387
Energy: 2.8778487445730803
Energy: 2.402032357071535
Energy: 3.1031071087381776
Energy: 2.402032357071535
Energy: 3.1066383727120215
Energy: 2.3101409899016025
Energy: 2.70691155214812
Energy: 2.310140989903874
Energy: 3.1066383727154285
Energy: 2.310140989903874
Energy: 2.720945312734896
Energy: 2.4024412216479303
Energy: 2.925220432615738
Energy: 2.4024412216479303
Energy: 2.7209453127337606
Energy: 2.4024412216479303
Energy: 2.6913503263485694
Energy: 2.27197695306345
Energy: 2.6831211438195854
Energy: 2.271976953062882
Energy: 2.69135321020661
Energy: 2.271976953062882
Energy: 3.118620774474659
Energy: 2.5099108167840343
Energy: 2.706954068483047
Energy: 2.5099108167817628
Energy: 3.118620774474659
Energy: 2.5099108167817628
Energy: 2.6817183738791264
Energy: 2.1855444730585596
Energy: 2.697046687565504
Energy: 2.1855444730579916
Energy: 2.681702586274063
Energy: 2.1855444730579916
Energy: 2.8688810483040097
Energy: 2.4022644229185555
Energy: 3.003476744512306
Energy: 2.402264422916284
Energy: 2.8688810483045772
Energy: 2.402264422915716
Energy: 3.104317702807993
Energy: 2.310390703836477
Energy: 2.6989419242307933
Energy: 2.310390703836477
Energy: 3.104317702806857
Energy: 2.3103907038370446
Energy: 2.717343810266165
Energy: 2.4018821576652525
Energy: 3.140168594168114
Energy: 2.401882157664117
Energy: 2.7173604997009955
Energy: 2.401882157664685
Energy: 2.679403278462323
Energy: 2.5107380135516357
Energy: 2.72389900353966
Energy: 2.5107380135527717
Energy: 2.6799647806580196
Energy: 2.5107380135522037
Energy: 2.679724611855657
Energy: 2.5107657758831756
Energy: 2.804096633815089
Energy: 2.510765775882607
Energy: 2.68026097158843
Energy: 2.510765775882039
Energy: 2.716397415152565
Energy: 2.4018503065178702
Energy: 3.1401880948694694
Energy: 2.4018503065167343
Energy: 2.7163954158460717
Energy: 2.4018503065167343
Energy: 3.104338182738239
Energy: 2.3103940302683075
Energy: 2.699760358052148
Energy: 2.3103940302671724
Energy: 3.104338182739942
Energy: 2.3103940302671724
Energy: 2.8688718435787006
Energy: 2.402538934449065
Energy: 3.152934633472842
Energy: 2.402538934447929
Energy: 2.8688718435798366
Energy: 2.402538934448497
Energy: 2.6813297010009363
Energy: 2.185544473060831
Energy: 2.69694165571742
Energy: 2.185544473060263
Energy: 2.6816769281014734
Energy: 2.185544473060263
Energy: 3.1186043408183775
Energy: 2.5099313321141294
Energy: 2.7069502590781913
Energy: 2.509931332114697
Energy: 3.1186043408195125
Energy: 2.5099313321141294
Energy: 2.691493580045693
Energy: 2.2719493972567197
Energy: 2.683179146178875
Energy: 2.2719493972567197
Energy: 2.691807273323402
Energy: 2.2719493972572877
Energy: 2.720951141501087
Energy: 2.4024464168817823
Energy: 2.9904503573115324
Energy: 2.4024464168812147
Energy: 2.720951141499383
Energy: 2.4024464168812147
Energy: 3.1068779279705
Energy: 2.3101305207600076
Energy: 2.697852540313559
Energy: 2.3101305207611436
Energy: 3.106877927972204
Energy: 2.3101305207605756
Energy: 3.1031199915261394
Energy: 2.402035762000759
Energy: 2.8775828819332494
Energy: 2.4020357620030306
Energy: 3.103119991523868
Energy: 2.4020357620030306
Energy: 3.0863168123498776
Energy: 2.402370922461709
Energy: 2.890123733863198
Energy: 2.402370922461709
Energy: 3.086316812348742
Energy: 2.402370922461709
Energy: 3.0861987534559274
Energy: 2.4024457167506337
Energy: 2.7006812749823292
Energy: 2.4024457167494973
Energy: 3.0861987534553594
Energy: 2.4024457167500652
Energy: 2.7247082966230862
Energy: 2.509636961467053
Energy: 2.8533157690470117
Energy: 2.5096369614642144
Energy: 2.724708934033827
Energy: 2.509636961464782
Energy: 3.10425739318344
Energy: 2.3616508349298933
Energy: 2.6795427135368186
Energy: 2.3616508349298933
Energy: 3.104257393184008
Energy: 2.3616508349293253
Energy: 3.127368822236106
Energy: 2.4019153335320524
Energy: 2.889845622201079
Energy: 2.4019153335337564
Energy: 3.1273688222366736
Energy: 2.4019153335331884

minimum gb energy = 2.1855444730579916 eV
minimum distance =  2.52760546934313 Angstroms
sigma value = 51


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

Energy: 3.533196279876054
Energy: 2.612515989690598
Energy: 2.665213460310042
Energy: 2.612515989690598
Energy: 3.5331962798747383
Energy: 2.612515989690598
Energy: 2.5120085198432007
Energy: 2.341429099906665
Energy: 2.9155405963721512
Energy: 2.3414290999079803
Energy: 2.5120085198432007
Energy: 2.3414290999079803
Energy: 2.6130938262801084
Energy: 2.6125046279668207
Energy: 2.9112018772104014
Energy: 2.6125046279655053
Energy: 2.613093826306422
Energy: 2.6125046279655053
Energy: 2.509452967021941
Energy: 2.3495307362715527
Energy: 2.918159402187682
Energy: 2.3495307362702373
Energy: 2.5094529670206254
Energy: 2.3495307362702373
Energy: 2.508292032298082
Energy: 2.3482295132139455
Energy: 2.9412738014516226
Energy: 2.3482295132139455
Energy: 2.5082920322967657
Energy: 2.3482295132139455
Energy: 3.104912950558558
Energy: 2.349013431111267
Energy: 2.9210801750781483
Energy: 2.3490134311086353
Energy: 3.1049129505598736
Energy: 2.3490134311086353
Energy: 3.1061838539582802
Energy: 2.3487408740133713
Energy: 2.9187524004717607
Energy: 2.3487408740133713
Energy: 3.1061838539582802
Energy: 2.3487408740133713
Energy: 2.5143426758890124
Energy: 2.34825730771879
Energy: 2.6538995159950196
Energy: 2.34825730771879
Energy: 2.514342675887697
Energy: 2.34825730771879
Energy: 3.1061017941992684
Energy: 2.0486210523786403
Energy: 2.6574900548957263
Energy: 2.0486210523786403
Energy: 3.1061017941992684
Energy: 2.0486210523773245
Energy: 2.510700321753585
Energy: 2.6114715595537277
Energy: 2.654038723988532
Energy: 2.6114715595550435
Energy: 2.510700321750954
Energy: 2.6114715595550435
Energy: 3.1058775456747183
Energy: 2.349558393172358
Energy: 2.9170473628424682
Energy: 2.349558393172358
Energy: 3.1058775456760337
Energy: 2.349558393172358
Energy: 3.528836249366165
Energy: 2.6116575111670555
Energy: 2.9209587707942273
Energy: 2.6116575111670555
Energy: 3.5288362493648493
Energy: 2.6116575111683713
Energy: 2.818770330252694
Energy: 2.3497703407956214
Energy: 2.9189635047943927
Energy: 2.34977034079299
Energy: 2.8187703302513785
Energy: 2.3497703407943056
Energy: 2.5100161614110563
Energy: 2.611904389336266
Energy: 2.913537222516593
Energy: 2.611904389336266
Energy: 2.5100161614123717
Energy: 2.611904389336266
Energy: 2.512681897314742
Energy: 2.6111259215231173
Energy: 2.916995093294679
Energy: 2.6111259215218015
Energy: 2.512681897314742
Energy: 2.611125921520486
Energy: 2.6133934680791318
Energy: 2.34879195486626
Energy: 2.9087275991739747
Energy: 2.348791954868892
Energy: 2.6133934680778164
Energy: 2.348791954868892
Energy: 3.105138733714104
Energy: 2.6108552544992305
Energy: 2.9198944225565397
Energy: 2.6108552545005463
Energy: 3.105138733714104
Energy: 2.6108552545005463
Energy: 3.106126118864536
Energy: 2.3487502498888566
Energy: 2.9167836164259815
Energy: 2.348750249891488
Energy: 3.106126118864536
Energy: 2.348750249891488

minimum gb energy = 2.0486210523773245 eV
minimum distance =  2.53016039194989 Angstroms
sigma value = 19


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

Energy: 3.7773608580768805
Energy: 2.5970360717275067
Energy: -0.05633593888749005
Energy: 2.5970360717290677
Energy: 3.7773608580768805
Energy: 2.5970360717282874
Energy: 0.44393927833603036
Energy: 2.385765244276535
Energy: 2.96000816074491
Energy: 2.3857652442757553
Energy: 0.44389581529655403
Energy: 2.385765244276535
Energy: 2.9774920175622213
Energy: 2.598301648180129
Energy: 2.9630572315527983
Energy: 2.598301648180909
Energy: 2.9774920175622213
Energy: 2.59830164818169
Energy: 0.527123023611006
Energy: 2.383944387101994
Energy: 2.969842542061785
Energy: 2.383944387101994
Energy: 0.5270996656121735
Energy: 2.383944387101994
Energy: 3.0041846009195106
Energy: 2.5973314001893577
Energy: 2.9636181728923616
Energy: 2.5973314001893577
Energy: 3.004184600930402
Energy: 2.5973314001901375
Energy: 2.964350544611573
Energy: 2.5972934729818484
Energy: 3.003829276263681
Energy: 2.597293472982629
Energy: 2.964350544613915
Energy: 2.597293472982629
Energy: 2.9653493871430006
Energy: 2.3839720571316954
Energy: 2.9879141115932395
Energy: 2.3839720571316954
Energy: 2.9653493871414396
Energy: 2.3839720571316954
Energy: 2.958886810159299
Energy: 2.5982800886716615
Energy: 2.9776120286285184
Energy: 2.5982800886708812
Energy: 2.958885810647728
Energy: 2.5982800886708812
Energy: 2.9599607615332135
Energy: 2.3854927712821423
Energy: 2.9580492463573687
Energy: 2.3854927712821423
Energy: 2.9599489150387996
Energy: 2.3854927712821423
Energy: 2.987320310548109
Energy: 2.5970360717282874
Energy: 3.7773608580792217
Energy: 2.5970360717275067
Energy: 2.987320310551231
Energy: 2.5970360717282874
Energy: 2.9602176100109143
Energy: 2.385765244274975
Energy: 2.94777920784446
Energy: 2.3857652442741943
Energy: 2.960209252485779
Energy: 2.3857652442741943
Energy: 2.963057231555139
Energy: 2.598301648180909
Energy: 2.9774920175630024
Energy: 2.598301648180129
Energy: 2.963057231555139
Energy: 2.598301648180129
Energy: 2.9698425420610044
Energy: 2.383944387101994
Energy: 2.9879605640599234
Energy: 2.383944387101994
Energy: 2.9698425420594434
Energy: 2.3839443871027743
Energy: 2.9636181728892397
Energy: 2.5973314001901375
Energy: 3.004184600927315
Energy: 2.5973314001893577
Energy: 2.96361817289002
Energy: 2.5973314001893577
Energy: 3.003829276261339
Energy: 2.5972934729802875
Energy: 2.8337131140719305
Energy: 2.5972934729818484
Energy: 3.0038292762652414
Energy: 2.5972934729818484
Energy: 0.5269893583362127
Energy: 2.383972057132476
Energy: 2.9653493871414396
Energy: 2.383972057132476
Energy: 0.5269893494635125
Energy: 2.3839720571316954
Energy: 2.977612028629298
Energy: 2.5982800886724418
Energy: 2.958886273873655
Energy: 2.5982800886724418
Energy: 2.977612028629298
Energy: 2.5982800886724418
Energy: 2.958049246358149
Energy: 2.3854927712837033
Energy: 2.9599492347531084
Energy: 2.3854927712837033
Energy: 2.958049246358149
Energy: 2.3854927712837033
Energy: 3.7773608580761
Energy: 2.5970360717282874
Energy: 2.8628212046872807
Energy: 2.5970360717275067
Energy: 3.7773608580776603
Energy: 2.5970360717275067
Energy: 2.94777920784446
Energy: 2.385765244276535
Energy: 2.960214305864272
Energy: 2.385765244276535
Energy: 2.947779207840558
Energy: 2.385765244276535
Energy: 2.9774920175630024
Energy: 2.598301648180909
Energy: 2.9630572315567
Energy: 2.598301648180129
Energy: 2.9774920175622213
Energy: 2.598301648180129
Energy: 2.9879605640599234
Energy: 2.383944387101994
Energy: 2.969842542061785
Energy: 2.383944387101994
Energy: 2.987960564060704
Energy: 2.383944387101994
Energy: 3.0041846009210715
Energy: 2.5973314001901375
Energy: 2.96361817289002
Energy: 2.5973314001893577
Energy: 3.0041846009195106
Energy: 2.5973314001893577
Energy: 2.966594925940384
Energy: 2.597293472982629
Energy: 3.0038292762629
Energy: 2.5972934729818484
Energy: 2.9667147001991236
Energy: 2.5972934729818484
Energy: 2.965349387145342
Energy: 2.3839720571316954
Energy: 2.973063082489214
Energy: 2.3839720571309155
Energy: 2.965349387143781
Energy: 2.3839720571309155
Energy: 2.958888256163936
Energy: 2.5982800886708812
Energy: 2.977612028629298
Energy: 2.5982800886716615
Energy: 2.9588841694959727
Energy: 2.5982800886716615
Energy: 2.959963772279387
Energy: 2.3854927712821423
Energy: 2.958049246358929
Energy: 2.3854927712821423
Energy: 2.9599651856585094
Energy: 2.3854927712821423
Energy: 3.0071317469189798
Energy: 2.5970360717282874
Energy: 3.777360858080002
Energy: 2.5970360717275067
Energy: 3.007131747021181
Energy: 2.5970360717282874
Energy: 2.9602129289619565
Energy: 2.3857652442741943
Energy: 2.9477792078436797
Energy: 2.385765244274975
Energy: 2.9602167906609544
Energy: 2.3857652442757553
Energy: 2.9630572315512373
Energy: 2.598301648180129
Energy: 2.9774920175630024
Energy: 2.598301648180909
Energy: 2.963057231555139
Energy: 2.598301648180909

minimum gb energy = -0.05633593888749005 eV
minimum distance =  2.51792912615739 Angstroms
sigma value = 27


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

Energy: 2.9120985066128893
Energy: 2.0615821487728736
Energy: 3.042844042182418
Energy: 2.0615821487728736
Energy: 2.9120985066128893
Energy: 2.0615821487728736
Energy: 2.9183742003206237
Energy: 2.0644290352819805
Energy: 2.941311317034507
Energy: 2.0644290352819805
Energy: 2.918374200322536
Energy: 2.0644290352819805
Energy: 2.9488161416364163
Energy: 2.6700273095736358
Energy: 2.937332688753808
Energy: 2.6700273095736358
Energy: 2.9488161416364163
Energy: 2.6700273095736358
Energy: 2.908902111839478
Energy: 2.0638318408880276
Energy: 2.9423060857792107
Energy: 2.063831840889939
Energy: 2.908902111839478
Energy: 2.063831840889939
Energy: 2.940409333699663
Energy: 2.062440428625647
Energy: 1.7058016764937494
Energy: 2.0624404286275584
Energy: 2.940409333699663
Energy: 2.0624404286275584
Energy: 2.9405123023103696
Energy: 2.6708644583808154
Energy: 2.9397945500578557
Energy: 2.6708644583808154
Energy: 2.9405123023103696
Energy: 2.6708644583808154
Energy: 2.9500840836182096
Energy: 2.0680842924966827
Energy: 2.937415091252451
Energy: 2.0680842924966827
Energy: 2.9500840836182096
Energy: 2.0680842924947713
Energy: 2.9088734121309017
Energy: 2.0619488036434164
Energy: 2.9438814050826756
Energy: 2.0619488036434164
Energy: 2.9088734121309017
Energy: 2.0619488036434164
Energy: 2.940343031371865
Energy: 2.066455134080032
Energy: 2.9192011152579873
Energy: 2.066455134080032
Energy: 2.9403430313699537
Energy: 2.066455134080032
Energy: 2.9405742348146195
Energy: 2.669981300369695
Energy: 2.940565295491566
Energy: 2.669981300369695
Energy: 2.9405742348146195
Energy: 2.6699813003716066
Energy: 2.94875651593747
Energy: 2.0668619012900655
Energy: 2.9403823031029086
Energy: 2.0668619012900655
Energy: 2.94875651593747
Energy: 2.0668619012900655
Energy: 2.942778177812282
Energy: 2.0620612744299085
Energy: 2.9089274974770762
Energy: 2.0620612744299085
Energy: 2.942778177812282
Energy: 2.0620612744299085

minimum gb energy = 1.7058016764937494 eV
minimum distance =  2.52966291080152 Angstroms
sigma value = 9


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

Energy: 2.936096265167465
Energy: 2.7502281908140116
Energy: 2.9501949425233778
Energy: 2.7502281908150863
Energy: 2.936096265167465
Energy: 2.7502281908150863
Energy: 2.9484517591339108
Energy: 2.363971468921882
Energy: 2.919104995146186
Energy: 2.363971468921882
Energy: 2.9484517591371335
Energy: 2.363971468921882
Energy: 3.035234701627572
Energy: 2.753098537742384
Energy: 2.919348345962725
Energy: 2.753098537742384
Energy: 3.035234701627572
Energy: 2.753098537742922
Energy: 2.925509617878384
Energy: 2.6253791778845095
Energy: 2.9289090086735667
Energy: 2.625379177883972
Energy: 2.9255096178767728
Energy: 2.625379177882898
Energy: 2.9220440021097063
Energy: 2.6255803113420297
Energy: -1.8083703333999483
Energy: 2.625580311342567
Energy: 2.922044002110781
Energy: 2.6255803113420297
Energy: 2.919446789426147
Energy: 2.818417552082917
Energy: 2.9172390507232757
Energy: 2.8049003597356625
Energy: 2.9194467894266833
Energy: 2.818417552080231
Energy: 2.981251119674592
Energy: 2.6233270031126077
Energy: 2.9193250567530376
Energy: 2.6233270031126077
Energy: 2.9812511196794262
Energy: 2.623327003113145
Energy: 2.917843399494495
Energy: 2.624916237334966
Energy: 2.924018652756859
Energy: 2.624916237333892
Energy: 2.917843399496106
Energy: 2.6249162373333546
Energy: 2.950566624695322
Energy: 2.636194196041239
Energy: -1.3427332953134277
Energy: 2.636194196041239
Energy: 2.9505666246942477
Energy: 2.636194196042313
Energy: 2.9225424967626923
Energy: 2.7521865812443718
Energy: 2.943846606623986
Energy: 2.752186581244909
Energy: 2.922542496766452
Energy: 2.752186581245446
Energy: 2.9518232558120996
Energy: 2.4964683280704563
Energy: 2.9195655680930654
Energy: 2.49646832807153
Energy: 2.951823255813174
Energy: 2.496468328072068
Energy: 2.9191801275119045
Energy: 2.6245875339734854
Energy: 2.9226562084834615
Energy: 2.62458753397456
Energy: 2.9191801275124423
Energy: 2.6245875339750966
Energy: 2.9239712082148017
Energy: 2.8155497157954263
Energy: 2.9349585825032087
Energy: 2.8155497157954263
Energy: 2.923971208216413
Energy: 2.8155497157954263
Energy: 2.988009171250943
Energy: 2.752375073058327
Energy: 2.924473657998627
Energy: 2.752375073058864
Energy: 2.9880091712536285
Energy: 2.752375073058327
Energy: 2.921479219093048
Energy: 2.623708780748539
Energy: 2.9199840901624445
Energy: 2.623708780749076
Energy: 2.9214792190957337
Energy: 2.623708780748539
Energy: 2.928410383187577
Energy: 2.493882497244563
Energy: 2.923149027898072
Energy: 2.493882497244563
Energy: 2.9284103831848913
Energy: 2.4938824972451004
Energy: 2.9209582322858996
Energy: 2.7508884899177524
Energy: 2.9309162103950555
Energy: 2.7508884899182897
Energy: 2.9209582322858996
Energy: 2.7508884899177524
Energy: 2.926542381001284
Energy: 2.721636163911762
Energy: 2.924546165771248
Energy: 2.7216361639080016
Energy: 2.9265423810018207
Energy: 2.721636163907465
Energy: 2.918101452048592
Energy: 2.751030117726053
Energy: 2.9252560214715695
Energy: 2.751030117729276
Energy: 2.918101452049129
Energy: 2.751030117729276
Energy: 2.9289186349204024
Energy: 2.6809299246013865
Energy: 2.9291162436077336
Energy: 2.7699393805806007
Energy: 2.9289186349204024
Energy: 2.680929924601924
Energy: 2.925229956923527
Energy: 2.750975354798716
Energy: 2.9180766164853886
Energy: 2.7509753547981783
Energy: 2.925229956924064
Energy: 2.7509753547976414
Energy: 2.924430323234821
Energy: 2.72165380169387
Energy: 2.9265104501277452
Energy: 2.7216538016944067
Energy: 2.924430323235895
Energy: 2.72165380169387
Energy: 2.930861125475374
Energy: 2.750865680969692
Energy: 2.92099124698
Energy: 2.750865680970766
Energy: 2.9308611254732257
Energy: 2.750865680970766
Energy: 2.92269386128817
Energy: 2.493857786953843
Energy: 2.9284507443469145
Energy: 2.493857786954917
Energy: 2.92269386128817
Energy: 2.493857786954917
Energy: 2.919981654251002
Energy: 2.623721514377737
Energy: 2.921446710047555
Energy: 2.6237215143793486
Energy: 2.919981654248854
Energy: 2.6237215143793486
Energy: 2.924665360615351
Energy: 2.752375006756463
Energy: 2.988051951733329
Energy: 2.752375006756463
Energy: 2.9246653606174995
Energy: 2.7523750067559267
Energy: 2.934823838872513
Energy: 2.81551928850869
Energy: 2.9239267002353326
Energy: 2.8155192885076157
Energy: 2.9348238388746615
Energy: 2.8155192885076157
Energy: 2.923054739503054
Energy: 2.6245185466548686
Energy: 2.919195241724256
Energy: 2.6245185466548686
Energy: 2.923054739503591
Energy: 2.624518546655406
Energy: 2.9193763439251907
Energy: 2.4963921123771144
Energy: 2.969970817595998
Energy: 2.4963921123755024
Energy: 2.9193763439251907
Energy: 2.49639211237604
Energy: 2.9438295386468543
Energy: 2.752170874381179
Energy: 2.9224681064031253
Energy: 2.7521708743817164
Energy: 2.943829538644706
Energy: 2.752170874381179
Energy: 2.919450158555672
Energy: 2.636194196036991
Energy: 2.9507179118149853
Energy: 2.636194196036991
Energy: 2.9194501585545973
Energy: 2.636194196036991
Energy: 2.9246043657035226
Energy: 2.6248464680606345
Energy: 2.917645505587598
Energy: 2.6248464680606345
Energy: 2.9246043657035226
Energy: 2.6248464680606345
Energy: 2.9193084508895564
Energy: 2.623367723897159
Energy: 2.9811612608162434
Energy: 2.6233677238955475
Energy: 2.9193084508895564
Energy: 2.623367723896085
Energy: 2.9171952713947977
Energy: 2.7832919314858904
Energy: 2.9194473833139996
Energy: 2.783291931485354
Energy: 2.917195271393186
Energy: 2.783291931484816
Energy: 2.9238808734029056
Energy: 2.6255811510452696
Energy: 2.9221188452560445
Energy: 2.625581151045807
Energy: 2.9238808734029056
Energy: 2.625581151045807
Energy: 2.9289348275929488
Energy: 2.625385481452711
Energy: 2.9255966167278737
Energy: 2.6253854814543227
Energy: 2.9289348275929488
Energy: 2.6253854814537854
Energy: 2.919490042111983
Energy: 2.7530942531842424
Energy: 3.035474836699791
Energy: 2.753094253181557
Energy: 2.9194900421125194
Energy: 2.753094253181019
Energy: 2.9191358368872358
Energy: 2.5566266768451236
Energy: 2.9484188027393103
Energy: 2.5566266768467347
Energy: 2.9191358368883096
Energy: 2.556626676847271
Energy: 2.93720748376828
Energy: 2.750228190814549
Energy: 2.9360962651642417
Energy: 2.7502281908150863
Energy: 2.93720748376828
Energy: 2.7502281908150863
Energy: 2.9191049951440857
Energy: 2.36397146892242
Energy: 2.948451759150025
Energy: 2.36397146892242
Energy: 2.919104995143549
Energy: 2.3639714689229567
Energy: 2.9193483459611134
Energy: 2.753098537740236
Energy: 3.0352347016264978
Energy: 2.7530985377391617
Energy: 2.9193483459616503
Energy: 2.7530985377396986
Energy: 2.9289090086741036
Energy: 2.6253791778807494
Energy: 2.925509617874673
Energy: 2.625379177882898
Energy: 2.92890900867303
Energy: 2.625379177882898
Energy: 2.937850870497613
Energy: 2.625580311340956
Energy: 2.92204400209579
Energy: 2.625580311341493
Energy: 2.937850870497613
Energy: 2.625580311340956

minimum gb energy = -1.8083703333999483 eV
minimum distance =  2.49271677439408 Angstroms
sigma value = 57


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

Energy: 2.6533361498661328
Energy: 2.8238147671867933
Energy: -1.1617649844002733
Energy: 2.823814767188016
Energy: 2.6533361498624646
Energy: 2.823814767188016
Energy: 2.6907653123958166
Energy: 2.275067032061408
Energy: 2.6831288010932073
Energy: 2.275067032061408
Energy: 2.6907653123982618
Energy: 2.275067032061408
Energy: 2.6581279332946512
Energy: 2.576892299691904
Energy: 2.6866945221494642
Energy: 2.576892299689458
Energy: 2.6581279332934282
Energy: 2.576892299689458
Energy: 2.7293686229705587
Energy: 2.5597206917094706
Energy: 2.661576669515
Energy: 2.5597206917094706
Energy: 2.7293686229705587
Energy: 2.5597206917094706
Energy: 2.7334390240921533
Energy: 2.8240073133389187
Energy: -1.0043352707040747
Energy: 2.8240073133389187
Energy: 2.7334390240921533
Energy: 2.824007313337696
Energy: 2.72846138796372
Energy: 2.5785714111807922
Energy: 2.652212909477359
Energy: 2.5785714111807922
Energy: 2.728461387962497
Energy: 2.5785714111807922
Energy: 2.7285629294611087
Energy: 2.578568146132219
Energy: 2.6520782634045132
Energy: 2.5785681461334415
Energy: 2.728562929459886
Energy: 2.5785681461334415
Energy: 2.733460485463653
Energy: 2.8239683522963426
Energy: 2.6620784836720124
Energy: 2.82396835229512
Energy: 2.733460485464876
Energy: 2.82396835229512
Energy: 2.7293910144544555
Energy: 2.559739410370043
Energy: 2.6828609571554476
Energy: 2.5597394103712654
Energy: 2.7293910144556786
Energy: 2.5597394103712654
Energy: 2.658157583991741
Energy: 2.577444206362525
Energy: 2.6866684071812297
Energy: 2.5774442063637477
Energy: 2.658157583991741
Energy: 2.5774442063637477
Energy: 2.6907933958527117
Energy: 2.2750670320638537
Energy: 2.6614197140959703
Energy: 2.2750670320650763
Energy: 2.6907933958502657
Energy: 2.2750670320650763
Energy: 2.653336149872246
Energy: 2.823814767188016
Energy: 2.708589055086208
Energy: 2.823814767188016
Energy: 2.6533361498673553
Energy: 2.8238147671867933
Energy: 2.6907653123958166
Energy: 2.275067032061408
Energy: 2.6831288010932073
Energy: 2.275067032061408
Energy: 2.6907653123970396
Energy: 2.275067032061408
Energy: 2.6581279332946512
Energy: 2.576892299689458
Energy: 2.686694522150687
Energy: 2.576892299691904
Energy: 2.6581279332946512
Energy: 2.576892299691904
Energy: 2.7293686229730043
Energy: 2.559720691708248
Energy: 2.6615766695186682
Energy: 2.5597206917094706
Energy: 2.7293686229705587
Energy: 2.559720691708248
Energy: 2.7334390240897086
Energy: 2.8240073133389187
Energy: 2.687993611772872
Energy: 2.824007313337696
Energy: 2.7334390240897086
Energy: 2.824007313337696
Energy: 2.72846138796372
Energy: 2.5785714111807922
Energy: 2.652212909477359
Energy: 2.5785714111807922
Energy: 2.72846138796372
Energy: 2.578571411182015
Energy: 2.7285629294623317
Energy: 2.5785681461334415
Energy: 2.6520782634045132
Energy: 2.5785681461334415
Energy: 2.7285629294611087
Energy: 2.5785681461334415
Energy: 2.733460485464876
Energy: 2.82396835229512
Energy: 2.662078483673235
Energy: 2.82396835229512
Energy: 2.733460485463653
Energy: 2.8239683522963426

minimum gb energy = -1.1617649844002733 eV
minimum distance =  2.47500721434093 Angstroms
sigma value = 11


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

Energy: 2.3158961266625258
Energy: 2.6375547585347574
Energy: -5.2338287434704736
Energy: 2.6375547585365493
Energy: 2.3158961266607347
Energy: 2.637554758535653
Energy: 2.287807518704102
Energy: 2.247823679941015
Energy: 2.288987296482202
Energy: 2.2478236799374325
Energy: 2.2878075187023104
Energy: 2.247823679938328
Energy: 2.3691850899215163
Energy: 2.3704975598567892
Energy: 2.2954171402413888
Energy: 2.370497559859476
Energy: 2.3691850899215163
Energy: 2.3704975598603717
Energy: 2.32011399158779
Energy: 2.362407772330109
Energy: 2.2886662157767748
Energy: 2.362407772329213
Energy: 2.3201139915868945
Energy: 2.362407772329213
Energy: 2.285646810744413
Energy: 2.637791344374961
Energy: 2.298936447154527
Energy: 2.6377913443776477
Energy: 2.2856468107453085
Energy: 2.6377913443767524
Energy: 2.3486497731623523
Energy: 2.512426154870941
Energy: 2.2880478038963767
Energy: 2.512426154870045
Energy: 2.3486497731623523
Energy: 2.512426154870941
Energy: 2.35403103344212
Energy: 2.2961797208003385
Energy: 2.287568862086937
Energy: 2.2961797208021295
Energy: 2.35403103344212
Energy: 2.296179720801234
Energy: 2.3611977317125183
Energy: 2.6382278452927395
Energy: 2.2454295107906637
Energy: 2.638227845293635
Energy: 2.361197731711623
Energy: 2.638227845293635
Energy: 2.3623532058760746
Energy: 2.636873025586787
Energy: 2.2830351038592362
Energy: 2.6368730255840998
Energy: 2.3623532058769703
Energy: 2.636873025584995
Energy: 2.318785242767085
Energy: 2.291672735354105
Energy: 2.2886669728260602
Energy: 2.291672735354105
Energy: 2.3187852427688767
Energy: 2.291672735354105
Energy: 2.354232596043749
Energy: 2.5059241171168756
Energy: 2.286275270479001
Energy: 2.505924117118667
Energy: 2.354232596041062
Energy: 2.505924117118667
Energy: 2.2848436295665704
Energy: 2.638095333127728
Energy: 2.290501737035716
Energy: 2.638095333128624
Energy: 2.2848436295656747
Energy: 2.638095333128624
Energy: 2.342685995744032
Energy: 2.3617918199506556
Energy: 2.300471390727747
Energy: 2.3617918199542376
Energy: 2.342685995744928
Energy: 2.3617918199542376
Energy: 2.291077419508348
Energy: 2.290277954214395
Energy: 2.2969164420810735
Energy: 2.290277954216186
Energy: 2.291077419510139
Energy: 2.290277954213499
Energy: 2.286101867115406
Energy: 2.248350843385383
Energy: 2.287422748311049
Energy: 2.248350843384487
Energy: 2.2861018671136146
Energy: 2.248350843385383
Energy: 2.2450211187930007
Energy: 2.637909528856735
Energy: 2.29991150797514
Energy: 2.637909528857631
Energy: 2.2450211187956874
Energy: 2.637909528857631
Energy: 2.3241321502111068
Energy: 2.2480303227603673
Energy: 2.299702310458801
Energy: 2.2480303227594716
Energy: 2.324132150221855
Energy: 2.2480303227585763
Energy: 2.290205337940755
Energy: 2.2918646890410974
Energy: 2.297069459498575
Energy: 2.2918646890402012
Energy: 2.2902053379416505
Energy: 2.2918646890393055
Energy: 2.316205510456023
Energy: 2.364882520744647
Energy: 2.287293415323722
Energy: 2.3648825207437514
Energy: 2.3162055104533366
Energy: 2.364882520744647
Energy: 2.2845561351149164
Energy: 2.6363562511726046
Energy: 2.303883785907497
Energy: 2.6363562511761063
Energy: 2.2845561351149164
Energy: 2.6363562511761063
Energy: 2.305088688771859
Energy: 2.513615955610647
Energy: 2.291661914811291
Energy: 2.513615955610647
Energy: 2.305088688771859
Energy: 2.513615955610647
Energy: 2.313186228867815
Energy: 2.291144313127498
Energy: 2.286677203618014
Energy: 2.2911443131266025
Energy: 2.3131862288687106
Energy: 2.291144313127498
Energy: 2.333932935179202
Energy: 2.6395322856403847
Energy: 2.2465075034300592
Energy: 2.639532285638593
Energy: 2.333932935182785
Energy: 2.639532285638593
Energy: 2.2850652581246655
Energy: 2.501828042119319
Energy: 2.284016790684704
Energy: 2.501828042123797
Energy: 2.2850652581273527
Energy: 2.5018280421229018
Energy: 2.295636762727982
Energy: 2.2894859623971966
Energy: 2.292068483121824
Energy: 2.2894859623945094
Energy: 2.295636762731565
Energy: 2.2894859623945094
Energy: 2.3098728261124375
Energy: 2.451432759314446
Energy: 2.285283841985885
Energy: 2.4514327593126546
Energy: 2.3098728261115418
Energy: 2.4514327593135503

minimum gb energy = -5.2338287434704736 eV
minimum distance =  2.4823765457358 Angstroms
sigma value = 41


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

Energy: 2.87072727485691
Energy: 2.482429354071643
Energy: 1.9443317296577178
Energy: 2.482429354073055
Energy: 2.870727274854792
Energy: 2.4824293540737608
Energy: 1.9844770136293102
Energy: 1.9937947620932939
Energy: 1.9752643116930857
Energy: 1.993794762092588
Energy: 1.9844770136307222
Energy: 1.993794762092588
Energy: 1.9680551288142094
Energy: 2.3816220124180614
Energy: 1.950106406043781
Energy: 2.3816220124180614
Energy: 1.9680551288156212
Energy: 2.3816220124180614
Energy: 1.9793753217936432
Energy: 1.9479698819006541
Energy: 1.97412938514438
Energy: 1.9479698818992421
Energy: 1.9793753217943493
Energy: 1.9479698818992421
Energy: 2.0306073110870013
Energy: 1.9920997490681658
Energy: -0.783951705765184
Energy: 1.9920997490667538
Energy: 2.0306073110884126
Energy: 1.99209974906746
Energy: 1.9495936468558688
Energy: 2.2894461218881226
Energy: 1.985961160245644
Energy: 2.289446121886711
Energy: 1.9495936468544568
Energy: 2.289446121886711
Energy: 1.9858422918525118
Energy: 2.382409771794196
Energy: 1.9706095295071333
Energy: 2.382409771794196
Energy: 1.9858422918525118
Energy: 2.382409771794196
Energy: 1.940233472191746
Energy: 1.9679460039869878
Energy: 1.9226986635347236
Energy: 1.967946003986282
Energy: 1.9402334721903338
Energy: 1.967946003986282
Energy: 2.0716874816054887
Energy: 1.9699174499141736
Energy: -0.7694326647328228
Energy: 1.9699174499141736
Energy: 2.0716874816054887
Energy: 1.9699174499141736
Energy: 2.063806499476142
Energy: 2.3803293213315935
Energy: 1.9265131496972037
Energy: 2.380329321330182
Energy: 2.0638064994775536
Energy: 2.380329321330888
Energy: 2.066191296257732
Energy: 2.3771942998209874
Energy: 1.9170410961646516
Energy: 2.3771942998202817
Energy: 2.06619129625632
Energy: 2.3771942998209874
Energy: 1.9482326708014905
Energy: -1.9167168909748102
Energy: 1.923389220647831
Energy: -1.916716693745041
Energy: 1.9482326708029027
Energy: 2.245751842763178
Energy: 2.0706698289825765
Energy: 2.2923679118111258
Energy: -0.777031710011802
Energy: 2.292367911811832
Energy: 2.0706698289825765
Energy: 2.292367911811832
Energy: 1.986039273360091
Energy: 2.390630956689953
Energy: 1.9651028842100922
Energy: 2.3906309566913646
Energy: 1.9860392733607968
Energy: 2.3906309566913646
Energy: 1.9489784461486532
Energy: 1.9452918330224707
Energy: 1.985994392841797
Energy: 1.945291833021059
Energy: 1.9489784461486532
Energy: 1.945291833021059
Energy: 1.9799253117065712
Energy: 2.2464624603007475
Energy: 1.973945478562144
Energy: 2.24646246029863
Energy: 1.9799253117051598
Energy: 2.2464624603007475
Energy: 1.9889851416189508
Energy: 1.942337329382378
Energy: 1.9579182892856166
Energy: 1.9423373293816721
Energy: 1.9889851416189508
Energy: 1.9423373293802602
Energy: 1.9166222466376883
Energy: 2.3907335021716385
Energy: 1.9517120511752724
Energy: 2.390733502170933
Energy: 1.916622246638394
Energy: 2.390733502170933
Energy: 1.986406429659746
Energy: 2.0085036823111104
Energy: 1.9862111802876883
Energy: 2.0085036823118165
Energy: 1.986406429661158
Energy: 2.008503682312522
Energy: 1.9303056338304296
Energy: 2.247475071268985
Energy: 2.0677084839707525
Energy: 2.2474750712654554
Energy: 1.9303056336547177
Energy: 2.247475071266161
Energy: 1.950636678508803
Energy: 1.9496588747592112
Energy: 1.9567320069053826
Energy: 1.9496588747563874
Energy: 1.9506366785130382
Energy: 1.949658874753564
Energy: 1.9288669608089095
Energy: 2.39024211874862
Energy: 1.9512635628047372
Energy: 2.3902421187500313
Energy: 1.9288669608082036
Energy: 2.3902421187500313
Energy: 1.9577904573251956
Energy: 1.946640654334589
Energy: 1.986009547090941
Energy: 1.9466406543338834
Energy: 1.9577904573301372
Energy: 1.946640654334589
Energy: 1.9809613676908784
Energy: 2.2031862743666797
Energy: 1.945196994627858
Energy: 2.2031862743653
Energy: 1.9809613676929962
Energy: 2.2031862743653
Energy: 1.9452104589513346
Energy: 2.3011612587648913
Energy: 1.9709351960147425
Energy: 2.301161258763479
Energy: 1.9452104589513346
Energy: 2.3011612587641856
Energy: 1.9857567317411484
Energy: 2.1973531656737673
Energy: 1.970592839396187
Energy: 2.1973531656737673
Energy: 1.9857567317397364
Energy: 2.1973531656744734
Energy: 1.9377801731222244
Energy: 2.3920725547012123
Energy: 1.9239593176629866
Energy: 2.392072554702624
Energy: 1.9377801731222244
Energy: 2.392072554702624
Energy: 1.9479529745211865
Energy: 2.2051055653161336
Energy: 1.9720307942900819
Energy: 2.2051055653154275
Energy: 1.947952974521893
Energy: 2.2051055653154275
Energy: 2.0652815869384433
Energy: 2.392391445647581
Energy: 1.9266796663522783
Energy: 2.392391445646875
Energy: 2.0652815869356194
Energy: 2.392391445646875
Energy: 1.9859645115576725
Energy: 2.210389101608815
Energy: 1.9198118390546157
Energy: 2.2103891016102266
Energy: 1.9859645115583782
Energy: 2.2103891016095205
Energy: 1.945770228667012
Energy: 2.3922030133318324
Energy: 1.9240041177849767
Energy: 2.392203013332538
Energy: 1.9457702286663061
Energy: 2.3922030133318324
Energy: 1.9478872289156912
Energy: 2.2896295840462875
Energy: 1.9851361992602874
Energy: 2.2896295840469936
Energy: 1.9478872289149851
Energy: 2.2896295840469936
Energy: 1.9870605834088146
Energy: 2.3925103746452123
Energy: 1.9693910414005809
Energy: 2.3925103746452123
Energy: 1.9870605834081088
Energy: 2.3925103746452123

minimum gb energy = -1.9167168909748102 eV
minimum distance =  2.51392458095393 Angstroms
sigma value = 33


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

Energy: 2.2008044907837605
Energy: 1.9546058501863175
Energy: 1.4204048838740744
Energy: 1.9546058501863175
Energy: 2.2008044907852464
Energy: 1.9546058501858221
Energy: 1.55777977439749
Energy: 1.4116662539597646
Energy: 1.5092378682052754
Energy: 1.41166625396026
Energy: 1.5577797743281754
Energy: 1.4116662539607552
Energy: 2.200963470676077
Energy: 1.9539268611118235
Energy: 1.456446917066864
Energy: 1.9539268611128142
Energy: 2.2009634706731047
Energy: 1.9539268611123188
Energy: 1.545891156427365
Energy: 1.4574673634705189
Energy: 1.509338460520851
Energy: 1.457467363472996
Energy: 1.5458911562317612
Energy: 1.457467363472996
Energy: 1.594185870099224
Energy: 1.9031407466130876
Energy: 1.4763435317964826
Energy: 1.9031407466125925
Energy: 1.5941858700967468
Energy: 1.9031407466130876
Energy: 1.5101434235890094
Energy: 1.4599629436259727
Energy: 1.5090356884721197
Energy: 1.4599629436264678
Energy: 1.5101434235870277
Energy: 1.4599629436259727
Energy: 1.6168050454374485
Energy: 1.9136556743575959
Energy: 1.5183524145337814
Energy: 1.9136556743556143
Energy: 1.6168050454329899
Energy: 1.9136556743551187
Energy: 1.4854959313101015
Energy: 1.5088116244604324
Energy: 1.6085208784235265
Energy: 1.5088116244624141
Energy: 1.485495931314065
Energy: 1.508811624460928
Energy: 1.6023505238702904
Energy: 1.903503927111038
Energy: -2.960953416666212
Energy: 1.903503927110543
Energy: 1.6023505238702904
Energy: 1.903503927110543
Energy: 1.4507722421824287
Energy: 1.9131379625354061
Energy: 1.5650977552873875
Energy: 1.9131379625383786
Energy: 1.450772242183915
Energy: 1.9131379625378833
Energy: 1.6343662622062516
Energy: 1.9133099385990784
Energy: 1.560424854640799
Energy: 1.913309938598583
Energy: 1.6343662622057562
Energy: 1.9133099385975922
Energy: 1.6256046404647662
Energy: 1.9587041543139936
Energy: 2.17003301604541
Energy: 1.9587041543120118
Energy: 1.6256046404672433
Energy: 1.9587041543120118
Energy: 1.5924200308156324
Energy: 1.9012878384749659
Energy: -1.6701875349894295
Energy: 1.9012878384749659
Energy: 1.5924200308151368
Energy: 1.9012878384754612
Energy: 1.5358321688955758
Energy: 1.9624623596761868
Energy: 1.5583453224607309
Energy: 1.9624623596776731
Energy: 1.53583216889508
Energy: 1.9624623596781685
Energy: 1.5321891196069852
Energy: 1.9083792695460045
Energy: 1.569213641076902
Energy: 1.9083792695469952
Energy: 1.5321891196074806
Energy: 1.9083792695469952
Energy: 1.5981759936782263
Energy: 1.9589770572047227
Energy: 2.1709473103977635
Energy: 1.9589770572032363
Energy: 1.598175993679217
Energy: 1.9589770572037317
Energy: 1.592378707695999
Energy: 1.901104040881708
Energy: 1.5954733348406027
Energy: 1.9011040408831945
Energy: 1.5923787076984763
Energy: 1.9011040408831945
Energy: 1.5116750130554415
Energy: 1.9625065846849703
Energy: 1.5613370060787817
Energy: 1.962506584686952
Energy: 1.5116750130519732
Energy: 1.9625065846874474
Energy: 1.451884101123485
Energy: 1.8734262173791638
Energy: 1.5609845313215134
Energy: 1.873426217377182
Energy: 1.4518841011229897
Energy: 1.8734262173766867
Energy: 1.6055556205737618
Energy: 1.959018155345322
Energy: 1.564913110978534
Energy: 1.9590181553477992
Energy: 1.6055556205747525
Energy: 1.9590181553482948
Energy: 1.5096429739561363
Energy: 1.8695342289136254
Energy: -1.945507059619987
Energy: 1.8695342289146162
Energy: 1.509642973958118
Energy: 1.8695342289146162
Energy: 1.6106889280545105
Energy: 1.963156120983984
Energy: 1.5085404854976052
Energy: 1.9631561209879471
Energy: 1.6106889280564922
Energy: 1.9631561209879471
Energy: 1.5145462864604464
Energy: 1.8395478091533686
Energy: 1.5109329363406658
Energy: 1.8395478091533686
Energy: 1.5145462864639143
Energy: 1.8395478091528732
Energy: 1.5907347179659996
Energy: 1.959236830396898
Energy: 1.5083994696933003
Energy: 1.9592368303988794
Energy: 1.590734717966495
Energy: 1.959236830398384
Energy: 1.55928702998232
Energy: 1.8707838625009938
Energy: 1.5779258618201844
Energy: 1.8707838625029756
Energy: 1.5592870299778614
Energy: 1.870783862503471
Energy: 1.6135774528979292
Energy: 1.9637800588750964
Energy: 1.4602526863185148
Energy: 1.963780058874601
Energy: 1.6135774528984248
Energy: 1.9637800588741057
Energy: 1.5644818644763039
Energy: 1.4578835117584985
Energy: 1.511398749607796
Energy: 1.4578835117589939
Energy: 1.564481866102566
Energy: 1.4578835117584985
Energy: 2.1369520967852274
Energy: 1.95961885386861
Energy: 1.4592371609918107
Energy: 1.9596188538696007
Energy: 2.136952096771896
Energy: 1.9596188538696007
Energy: 1.5624061717932545
Energy: 1.8708135103118484
Energy: 1.577863233054712
Energy: 1.8708135103103618
Energy: 1.5624061718011364
Energy: 1.8708135103103618
Energy: 1.6118445865907773
Energy: 1.9647105965418719
Energy: 1.39623857677264
Energy: 1.9647105965394402
Energy: 1.6118445866194673
Energy: 1.9647105965394402
Energy: 1.6873081990365884
Energy: 1.453257738715962
Energy: 1.5113666812862965
Energy: 1.453257738716953
Energy: 1.687308199039561
Energy: 1.4532577387164574
Energy: 1.590504654712364
Energy: 1.9146199189794026
Energy: 1.4502034562786204
Energy: 1.9146199189789068
Energy: 1.5905046547143455
Energy: 1.9146199189794026
Energy: 1.5961614854384483
Energy: 1.880932730226395
Energy: 1.6028848066596917
Energy: 1.8809327302254042
Energy: 1.5961614854349804
Energy: 1.880932730224909
Energy: 1.610176442880874
Energy: 1.918121900781858
Energy: 1.452668868611579
Energy: 1.918121900780372
Energy: 1.610176442878892
Energy: 1.9181219007798764
Energy: 1.452651747485492
Energy: 1.9181147534773535
Energy: 1.610095611165723
Energy: 1.9181147534778487
Energy: 1.4526517474835554
Energy: 1.918114753478344
Energy: 1.603077892167593
Energy: 1.880886933057247
Energy: 1.5961389236670425
Energy: 1.880886933057247
Energy: 1.6030778921680884
Energy: 1.880886933057247
Energy: 1.4501920570660982
Energy: 1.9146163479470357
Energy: 1.5903646100176998
Energy: 1.9146163479460452
Energy: 1.45019205706808
Energy: 1.9146163479465403
Energy: 1.511128266530961
Energy: 1.4532682987771595
Energy: 1.6873833227128359
Energy: 1.4532682987791412
Energy: 1.5111282665294747
Energy: 1.4532682987781502
Energy: 1.3962385767567864
Energy: 1.9644823638650464
Energy: 1.6125138624355546
Energy: 1.964482363867028
Energy: 1.3962385767553
Energy: 1.964482363867028
Energy: 1.5977048299811614
Energy: 1.8706827567991695
Energy: 1.5621762914072135
Energy: 1.8706827567976834
Energy: 1.597704829980666
Energy: 1.8706827567976834
Energy: 1.8568184960721634
Energy: 1.959624181745892
Energy: 2.136627672566014
Energy: 1.9596241817444056
Energy: 1.856818496074145
Energy: 1.9596241817444056
Energy: 1.5114578855925322
Energy: 1.4577793026618266
Energy: 1.5599676906018378
Energy: 1.457779302658854
Energy: 1.5114578855915415
Energy: 1.4577793026593497
Energy: 1.4604812977649468
Energy: 1.9637720461817623
Energy: 1.61283860971256
Energy: 1.963772046184735
Energy: 1.4604812977654422
Energy: 1.9637720461842396
Energy: 1.598111713136983
Energy: 1.870754204043681
Energy: 1.5588170382959472
Energy: 1.8707542040431857
Energy: 1.5981117131399556
Energy: 1.8707542040426903
Energy: 1.5084906975055257
Energy: 1.9592550383853407
Energy: 1.5902388541627968
Energy: 1.9592550383878178
Energy: 1.508490697507012
Energy: 1.9592550383873224
Energy: 1.511183712340003
Energy: 1.839547809141974
Energy: 1.514430683628289
Energy: 1.8395478091429647
Energy: 1.5111837123404983
Energy: 1.8395478091429647
Energy: 1.5083255266423665
Energy: 1.963149901635302
Energy: 1.6106132370863024
Energy: 1.9631499016362928
Energy: 1.508325526642862
Energy: 1.9631499016367882

minimum gb energy = -2.960953416666212 eV
minimum distance =  2.53975714155979 Angstroms
sigma value = 67


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

Energy: 0.35129103253228594
Energy: 0.35020017274890436
Energy: -1.9125997534408565
Energy: 0.35020017274788845
Energy: 0.35129103253198496
Energy: 0.350200172748227
Energy: -0.4933219697845306
Energy: -1.919207343926267
Energy: 0.24305992819833203
Energy: -1.9192073439266055
Energy: -0.49298102854636533
Energy: -1.9192073439266055
Energy: 0.35129103253228594
Energy: 0.35020017274890436
Energy: -1.9134737568282727
Energy: 0.35020017274856574
Energy: 0.35129103253228594
Energy: 0.35020017274890436
Energy: -0.4938371994081137
Energy: -1.9192073439266055
Energy: 0.24307008524455798
Energy: -1.919207343925966
Energy: -0.49327436589751866
Energy: -1.919207343926267
Energy: 0.35129103253130767
Energy: 0.35020017274890436
Energy: -0.417790841543486
Energy: 0.35020017274856574
Energy: 0.3512910325316463
Energy: 0.350200172748227
Energy: -0.49298430865989623
Energy: -1.9192073439266055
Energy: 0.24303188457628724
Energy: -1.9192073439266055
Energy: -0.4928027252777247
Energy: -1.919207343926267
Energy: 0.3512910325316463
Energy: 0.35020017274920534
Energy: -1.5997877494603487
Energy: 0.35020017274856574
Energy: 0.3512910325316463
Energy: 0.35020017274890436

minimum gb energy = -1.9192073439266055 eV
minimum distance =  2.67078611432075 Angstroms
sigma value = 3


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

Energy: 1.3500692223930237
Energy: 1.9446797419912312
Energy: 1.7183709089707404
Energy: 1.9446797419943445
Energy: 1.3500692224020352
Energy: 1.9446797419943445
Energy: 1.4209107693677534
Energy: 1.4374311183807447
Energy: 1.3934295327110302
Energy: 1.4374311183780408
Energy: 1.4209317850354097
Energy: 1.4374311183789423
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Energy: 1.8836482973872188
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Energy: 1.4109670674202421
Energy: 1.83907525263072

minimum gb energy = -3.6458488235740436 eV
minimum distance =  2.54881826382404 Angstroms
sigma value = 81


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

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Energy: -1.0021173849218

minimum gb energy = -2.8489292091233613 eV
minimum distance =  2.51600133266218 Angstroms
sigma value = 43


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

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Energy: 2.5177163028388505
Energy: 1.7866625473272797
Energy: 2.5177163028380907
Energy: 1.73927231773522
Energy: 2.517716302837331
Energy: 1.695016937109597
Energy: 2.570182944638038
Energy: 1.8202637925386684
Energy: 2.5701829446372786
Energy: 1.6950169371111161
Energy: 2.5701829446372786
Energy: 1.696213078619681
Energy: 2.56582409079129
Energy: 1.8206645423842953
Energy: 2.5658240907943286
Energy: 1.6962130786242389
Energy: 2.5658240907943286
Energy: 1.73978232747432
Energy: 2.500348244271021
Energy: 1.7353466160580888
Energy: 2.500348244269502
Energy: 1.73978232747432
Energy: 2.500348244269502
Energy: 1.7393741919100776
Energy: 2.7107330707149293
Energy: 1.7357141819239186
Energy: 2.7107330707156896
Energy: 1.7393741919100776
Energy: 2.7107330707156896
Energy: 1.7370146972150575
Energy: 2.4783935612551664
Energy: 1.8210128648853277
Energy: 2.478393561254407
Energy: 1.7370146972142981
Energy: 2.478393561254407
Energy: 1.7360702152421474
Energy: 2.565349209635791
Energy: 1.7340579007169665
Energy: 2.565349209635791
Energy: 1.7360702152421474
Energy: 2.565349209635791
Energy: 1.8201193076687396
Energy: 2.512855306064995
Energy: 1.7394213795274054
Energy: 2.512855306063476
Energy: 1.8201193076687396
Energy: 2.512855306063476
Energy: 1.821668514812274
Energy: 2.7106809020129505
Energy: 1.6859158706075792
Energy: 2.7106809020121907
Energy: 1.8216685148130338
Energy: 2.7106809020121907
Energy: 1.7351989936433978
Energy: 2.4886483570274485
Energy: 1.7384203547969181
Energy: 2.4886483570266886
Energy: 1.7351989936433978
Energy: 2.4886483570274485
Energy: 1.8220647745418213
Energy: 2.563768273755074
Energy: 1.6943996001085022
Energy: 2.563768273755834
Energy: 1.8220647745425809
Energy: 2.563768273755834
Energy: 1.8196674846488297
Energy: 2.547568584181037
Energy: 1.6927828478429392
Energy: 2.547568584180277
Energy: 1.8196674846495895
Energy: 2.5475685841795173
Energy: 1.9537552319500704
Energy: 2.518167268241553
Energy: 1.6862690575701462
Energy: 2.518167268241553
Energy: 1.9537552319500704
Energy: 2.518167268241553
Energy: 1.7341568376632368
Energy: 1.744268069711026
Energy: 1.7381171785301173
Energy: 1.7442680697140647
Energy: 1.7341568376639966
Energy: 1.7442680697133048
Energy: 1.79282844304736
Energy: 2.4883767437447846
Energy: 1.7343003202169105
Energy: 2.4883767437447846
Energy: 1.7928284430466006
Energy: 2.4883767437455444

minimum gb energy = -0.3922928326880003 eV
minimum distance =  2.54880813849612 Angstroms
sigma value = 57


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

Energy: 1.9980815288427702
Energy: 1.9511153144866988
Energy: -0.9733155385591294
Energy: 1.9511153144857152
Energy: 1.9980815288427702
Energy: 1.9511153144857152
Energy: 1.9430303618906286
Energy: 2.213356332449743
Energy: 1.9398484512193321
Energy: 2.213356332449743
Energy: 1.943030361891612
Energy: 2.2133563324507266
Energy: 1.9381026561110348
Energy: 2.870019475904813
Energy: 2.0164167034316893
Energy: 2.870019475904813
Energy: 1.9381026561110348
Energy: 2.870019475904813
Energy: 1.984791621773776
Energy: 2.010494355756818
Energy: 1.9397360705455258
Energy: 2.0104943557587847
Energy: 1.9847916217727926
Energy: 2.0104943557587847
Energy: 1.938751754982252
Energy: 2.0101685445164383
Energy: -0.40606338374844525
Energy: 2.0101685445174216
Energy: 1.9387517549831912
Energy: 2.0101685445174216
Energy: 2.0205270133069213
Energy: 2.020631108057319
Energy: 1.9394816985010834
Energy: 2.020631108055352
Energy: 2.020527013307905
Energy: 2.020631108055352
Energy: 2.0131899810405027
Energy: 2.0195498111168244
Energy: 1.9447575155256231
Energy: 2.0195498111168244
Energy: 2.0131899810405027
Energy: 2.0195498111168244
Energy: 2.01724134353496
Energy: 1.9574079784540812
Energy: 2.0003746554861284
Energy: 1.957407978447241
Energy: 2.017241343533976
Energy: 1.9574079784540812
Energy: 1.9397927863893418
Energy: 2.2123399424668238
Energy: -0.4064251489584605
Energy: 2.2123399424687906
Energy: 1.9397927863873747
Energy: 2.2123399424687906
Energy: 2.0165126798800412
Energy: 2.934269324988636
Energy: 1.9384783711416722
Energy: 2.9342693249856855
Energy: 2.0165126798790576
Energy: 2.9342693249876524
Energy: 2.0131414305963347
Energy: 2.0112335247985955
Energy: 2.015956449239441
Energy: 2.0112335247985955
Energy: 2.0131414305973183
Energy: 2.0112335247985955
Energy: 1.9450330380351581
Energy: 1.9506817600551232
Energy: 1.9402506170383682
Energy: 1.9506817600561068
Energy: 1.945033038033191
Energy: 1.9506817600541395
Energy: 1.9410906034853315
Energy: 2.837395009603958
Energy: -0.12803000826976088
Energy: 2.837395009603958
Energy: 1.941090603486315
Energy: 2.837395009603958
Energy: 1.944855230482887
Energy: 2.9436701733490445
Energy: 2.0134461263053174
Energy: 2.9436701733510113
Energy: 1.9448552304809195
Energy: 2.9436701733510113
Energy: 1.943931579488623
Energy: 1.958228195812393
Energy: 2.0146242847195297
Energy: 1.9582281958143601
Energy: 1.9439315794896064
Energy: 1.9582281958084589
Energy: 1.9450078516139917
Energy: 2.0197091943243897
Energy: 1.9416389639732923
Energy: 2.019709194323406
Energy: 1.9450078516130083
Energy: 2.019709194322423
Energy: 1.9413169171289657
Energy: 1.9494931075194477
Energy: 2.0141207943331887
Energy: 1.9494931075194477
Energy: 1.9413169171299494
Energy: 1.949493107518464
Energy: 2.014181042113955
Energy: 2.0971789380140415
Energy: 2.0141787185141555
Energy: 2.0971789380130583
Energy: 2.014181042115922
Energy: 2.0971789380130583
Energy: 2.0141026221941485
Energy: 1.949301009140946
Energy: 1.9413734850312356
Energy: 1.949301009138979
Energy: 2.014102622195132
Energy: 1.949301009138979
Energy: 1.9417474193984157
Energy: 2.0198022398225426
Energy: 1.9447869481930296
Energy: 2.019802239821559
Energy: 1.9417474193974322
Energy: 2.0198022398176247
Energy: 2.0146016473988437
Energy: 1.9582650344702184
Energy: 1.943952012076719
Energy: 1.9582650344702184
Energy: 2.0146016473978596
Energy: 1.9582650344702184
Energy: 2.0130401298565297
Energy: 2.019301245633815
Energy: 1.9456501182081136
Energy: 2.019301245633815
Energy: 2.0130401298575133
Energy: 2.019301245631848
Energy: 2.228103118497215
Energy: 2.8370311394779426
Energy: 1.9410608313006834
Energy: 2.8370311394779426
Energy: 2.228103118497215
Energy: 2.8370311394779426
Energy: 1.9402914054458795
Energy: 1.9510928878267053
Energy: 1.943797979810648
Energy: 1.9510928878267053
Energy: 1.9402914054458795
Energy: 1.9510928878257219

minimum gb energy = -0.9733155385591294 eV
minimum distance =  2.55694323338489 Angstroms
sigma value = 17


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

Energy: 2.3225103569837198
Energy: 2.334560964956384
Energy: -0.4117522576336943
Energy: 2.334560964957775
Energy: 2.32251035698511
Energy: 2.334560964957775
Energy: 2.2545624601191103
Energy: 2.2845851580865255
Energy: 2.288513805254608
Energy: 2.2845851580879164
Energy: 2.2545624601191103
Energy: 2.2845851580879164
Energy: 2.289062891148065
Energy: 2.2840108453050774
Energy: 2.290510094679044
Energy: 2.2840108453050774
Energy: 2.2890628911466737
Energy: 2.2840108453050774
Energy: 2.3028868475405107
Energy: 2.2835573217203256
Energy: 2.28881207914855
Energy: 2.2835573217203256
Energy: 2.3028868475405107
Energy: 2.2835573217203256
Energy: 2.2888753047301775
Energy: 2.284664636628496
Energy: 0.18680501584050357
Energy: 2.284664636627105
Energy: 2.2888753047301775
Energy: 2.284664636628496
Energy: 2.3002513934286855
Energy: 2.3345893273738287
Energy: 2.3219834633735394
Energy: 2.3345893273738287
Energy: 2.300251393427295
Energy: 2.3345893273738287
Energy: 2.288897461686827
Energy: 2.535748588202525
Energy: 2.2582289006053657
Energy: 2.535748588203916
Energy: 2.288897461688218
Energy: 2.535748588203916
Energy: 2.2967356022581815
Energy: 2.3274596661888762
Energy: 2.2897929996115773
Energy: 2.3274596661888762
Energy: 2.2967356022581815
Energy: 2.3274596661888762
Energy: 2.2890688685017975
Energy: 2.28502956187121
Energy: 2.421911425695408
Energy: 2.2850295618698198
Energy: 2.2890688685004066
Energy: 2.2850295618698198
Energy: 2.3233065161554056
Energy: 2.2567320047628643
Energy: 2.2896527348340134
Energy: 2.256732004761474
Energy: 2.32330651616236
Energy: 2.2567320047628643
Energy: 2.325914135169061
Energy: 2.2936479347201657
Energy: 2.296457986042651
Energy: 2.293647934718775
Energy: 2.3259141351704513
Energy: 2.2936479347340746
Energy: 2.2956550733834358
Energy: 2.2892315813023236
Energy: 2.2902684873224697
Energy: 2.2892315813023236
Energy: 2.2956550733834358
Energy: 2.2892315813023236
Energy: 2.2901521079824088
Energy: 2.5552706726166745
Energy: 2.2950060486798005
Energy: 2.5552706726180654
Energy: 2.2901521079824088
Energy: 2.555270672615284
Energy: 2.294809749448912
Energy: 2.286113759242145
Energy: 2.2902536557879967
Energy: 2.286113759243536
Energy: 2.294809749448912
Energy: 2.286113759243536
Energy: 2.2911539483118255
Energy: 2.296868051169794
Energy: 2.321729052780363
Energy: 2.2968680511739663
Energy: 2.2911539483118255
Energy: 2.2968680511795307
Energy: 2.29351984369087
Energy: 2.2961988747461377
Energy: 2.3295481419881576
Energy: 2.2961988747558744
Energy: 2.29351984369087
Energy: 2.2961988747461377
Energy: 2.2922988646796627
Energy: 2.287790844747219
Energy: 2.2926852000879476
Energy: 2.287790844745828
Energy: 2.2922988646796627
Energy: 2.287790844747219

minimum gb energy = -0.4117522576336943 eV
minimum distance =  2.53274101330714 Angstroms
sigma value = 17


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

Energy: 3.5039861792734994
Energy: 2.135658247028412
Energy: 3.5654979290162543
Energy: 2.1356582470289487
Energy: 3.5039861792708136
Energy: 2.1356582470289487
Energy: 2.8224226128946555
Energy: 2.0924650058718313
Energy: 2.0882280649194933
Energy: 2.092465005871295
Energy: 2.822422612893581
Energy: 2.0924650058718313
Energy: 2.13433991357611
Energy: 2.4750429295530476
Energy: 2.745834624346462
Energy: 2.4750429295541223
Energy: 2.1343399135766474
Energy: 2.4750429295541223
Energy: 2.0964809866197807
Energy: 2.0903860328633455
Energy: 2.502297271038145
Energy: 2.0903860328622708
Energy: 2.0964809866187064
Energy: 2.090386032862808
Energy: 2.0887388118789247
Energy: 2.151252026631998
Energy: 2.9724686837994305
Energy: 2.1512520266309236
Energy: 2.088738811877313
Energy: 2.1512520266303867
Energy: 2.4805588285056954
Energy: 2.1351575636293254
Energy: 2.5996379936850826
Energy: 2.1351575636298628
Energy: 2.4805588285056954
Energy: 2.135157563627714
Energy: 2.088498036287681
Energy: 2.480243180794762
Energy: 2.763176285202805
Energy: 2.4802431807963736
Energy: 2.088498036287681
Energy: 2.4802431807963736
Energy: 2.7864201668571487
Energy: 2.0900960489492655
Energy: 2.088050021972278
Energy: 2.090096048955174
Energy: 2.7864201668544633
Energy: 2.0900960489546363
Energy: 2.59440192056948
Energy: 2.1350568916182446
Energy: 2.0955069951467067
Energy: 2.135056891618782
Energy: 2.5944019205705544
Energy: 2.135056891620393
Energy: 2.7529601039535296
Energy: -1.2798919338269672
Energy: 2.089092487847451
Energy: -1.2798919547029313
Energy: 2.7529601039535296
Energy: 2.315476922450038
Energy: 2.5039730654359813
Energy: 2.7654631958678464
Energy: 2.4759698340486507
Energy: 2.7654631958678464
Energy: 2.503973065435444
Energy: 2.765463195866772
Energy: 2.0954387267811914
Energy: 2.0930279610131115
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Energy: 2.0930279610152596
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Energy: 2.0930279610141853
Energy: 2.089415031148741
Energy: 2.106349381336159
Energy: 2.502761962859921
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Energy: 2.106349381335085
Energy: 2.0943201613633184
Energy: 2.4864322688239704
Energy: 2.7791468827132624
Energy: 2.4864322688250446
Energy: 2.0943201613633184
Energy: 2.4864322688245073
Energy: 2.0828903975600697
Energy: 3.1448141462225774
Energy: 2.4812182164716607
Energy: 3.1448141462252632
Energy: 2.082890397562218
Energy: 3.1448141462247263
Energy: 2.5102287121514086
Energy: -1.1061936303046267
Energy: 2.1384159328932664
Energy: 2.091482880753919
Energy: 2.510228712150872
Energy: -1.1061936594095259
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Energy: 3.137657899790285
Energy: 2.094066997058335
Energy: 3.1376578997908218
Energy: 2.511699468856531
Energy: 3.1376578997908218
Energy: 3.4469479661401055
Energy: 2.4722783391360594
Energy: 2.0931936404874674
Energy: 2.4722783391382084
Energy: 3.446947966143328
Energy: 2.4722783391360594
Energy: -0.8961042078724601
Energy: 2.137067804297682
Energy: 2.091996637037235
Energy: 2.1370678043003672
Energy: -0.8961042077006272
Energy: 2.137067804299293
Energy: 2.091816127561266
Energy: 2.8771227637113466
Energy: 2.091814195423016
Energy: 2.8771227637124204
Energy: 2.091816127559655
Energy: -1.0878792895083496
Energy: 2.091996116229001
Energy: 2.1369926144485594
Energy: 2.5642418834665195
Energy: 2.1369926144517817
Energy: 2.091996116229001
Energy: 2.136992614452319
Energy: 2.0932031167659306
Energy: 2.4723948849928967
Energy: 3.421302578604665
Energy: 2.4723948849902104
Energy: 2.093203116766468
Energy: 2.4723948849923594
Energy: -0.5004347800165156
Energy: 3.1379272077587177
Energy: 2.511570945708948
Energy: 3.137927207758181
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Energy: 2.1384044486497067
Energy: 2.275668913487584
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Energy: 2.2756689134870465
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Energy: 2.0934675328478036
Energy: 3.1452114478133684
Energy: 2.481210456964763
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Energy: 2.7792364175701545
Energy: 2.4861934906516088
Energy: 2.094324265641746
Energy: 2.4861934906671856
Energy: 2.779236417571766
Energy: 2.4861934906542946
Energy: 2.500970114540574
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Energy: 2.314186859505298
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Energy: 2.314186859501001
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Energy: 2.135120408031097
Energy: 2.5961176319940296
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Energy: 2.0955547293274974
Energy: 2.135120408031634
Energy: 2.0880445966749885
Energy: 2.0901036925938143
Energy: 2.7860375740877386
Energy: 2.090103692595963
Energy: 2.0880445966749885
Energy: 2.090103692595426
Energy: 2.76326565358941
Energy: 2.4804147766969167
Energy: 2.0885268217218496
Energy: 2.4804147766953055
Energy: 2.7632656535872613
Energy: 2.4804147766947686
Energy: 2.599604299535472
Energy: 2.1349721129784895
Energy: 2.480919582548188
Energy: 2.1349721129790264
Energy: 2.599604299535472
Energy: 2.1349721129790264
Energy: 2.824518447994575
Energy: 2.1512520266250155
Energy: 2.0887410278676444
Energy: 2.151252026624478
Energy: 2.824518447992426
Energy: 2.1512520266250155
Energy: 2.502385096565902
Energy: 2.090682236081
Energy: 2.0960134914795985
Energy: 2.0906822360804624
Energy: 2.5023850965637533
Energy: 2.0906822360826114
Energy: 2.7457678514016095
Energy: 2.4749271281752634
Energy: 2.134314436685306
Energy: 2.4749271281747256
Energy: 2.745767851400535
Energy: 2.4749271281737006
Energy: 2.0882232388800426
Energy: 2.0924509466983006
Energy: 2.8217862936637776
Energy: 2.0924509466966894
Energy: 2.088223238880579
Energy: 2.0924509466961516
Energy: 2.1165920514148855
Energy: 2.1356582470289487
Energy: 3.5039861792740363
Energy: 2.1356582470289487
Energy: 2.1165920513955974
Energy: 2.1356582470289487
Energy: 2.0882280649194933
Energy: 2.092465005869146
Energy: 2.822422612893044
Energy: 2.09246500587022
Energy: 2.0882280649205676
Energy: 2.0924650058696836
Energy: 2.745834624348611
Energy: 2.475042929553585
Energy: 2.1343399135771843
Energy: 2.4750429295525107
Energy: 2.745834624349685
Energy: 2.4750429295519734
Energy: 2.502297271039219
Energy: 2.090386032861197
Energy: 2.0964809866213927
Energy: 2.0903860328606596
Energy: 2.5022972710402938
Energy: 2.090386032859048
Energy: 2.972468683798894
Energy: 2.1512520266309236
Energy: 2.088738811877313
Energy: 2.1512520266298494
Energy: 2.9724686837994305
Energy: 2.1512520266303867

minimum gb energy = -1.2798919547029313 eV
minimum distance =  2.5571791058633 Angstroms
sigma value = 57


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

Energy: -0.2854783321573131
Energy: -0.8021739215337651
Energy: -0.5442114399372157
Energy: -0.8021739219953031
Energy: -0.28547833215906226
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Energy: -2.6059975771230186
Energy: -2.6044553817118725
Energy: -2.605997577108151
Energy: -1.465296554659503
Energy: -2.6059975771107746
Energy: -0.7797989869313958
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Energy: -1.5048210460874896
Energy: -0.6057569687463622
Energy: -0.7797989869182772
Energy: -0.6057569687524843
Energy: -2.3600926770933484
Energy: -0.4663893087187067
Energy: -2.22550661030763
Energy: -0.4663893087248287
Energy: -2.3600926749629583
Energy: -0.46638930871783213
Energy: -0.7620433448433964
Energy: -0.9491874411777078
Energy: -0.45571185931575464
Energy: -0.9491874411698366
Energy: -0.7620433448363998
Energy: -0.9491874411820804
Energy: -2.3719934386573507
Energy: -0.46581905758231373
Energy: -2.2297701406136206
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Energy: -2.604475350495904
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Energy: -0.7435188397176914
Energy: -1.558904513629019
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Energy: -0.7402955710717325
Energy: -2.6057456069277873
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Energy: -0.5464990845545492
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Energy: -2.329297525331669
Energy: -2.6027296813764584
Energy: -2.3292975289105957
Energy: -2.3185421459476014
Energy: -2.329297528109802
Energy: -0.7470938759704777
Energy: -0.7351741267756916
Energy: -0.47752129373468233
Energy: -0.7351741267826882
Energy: -0.7470938759722271
Energy: -0.7351741267713187
Energy: -2.3703499650818474
Energy: -2.3323405567716597
Energy: -0.48566261552055734
Energy: -2.332340555990981
Energy: -2.37034996538954
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Energy: -0.7567474225239269
Energy: -2.324292855732841
Energy: -0.4670386393879465
Energy: -2.324292927954833
Energy: -0.7567474211592692
Energy: -2.324292913385577
Energy: -0.783818694927275
Energy: -0.7470709226597593
Energy: -0.4648120298284251
Energy: -0.7470709226615084
Energy: -0.784082486406947
Energy: -0.7470709226554658
Energy: -0.7485919539985137
Energy: -2.326899004268101
Energy: -2.6021070872268113
Energy: -2.3268990042899653
Energy: -0.7485919539233001
Energy: -2.3268990042628537
Energy: -2.0875926317545908
Energy: -0.4896654593682174
Energy: -2.603957075828977
Energy: -0.4896654593970785
Energy: -2.0875926317869498
Energy: -0.48966545926772065
Energy: -2.0826590085722105
Energy: -0.4798875842541188
Energy: -2.6022516939424487
Energy: -0.4798875835705177
Energy: -2.0826594719682205
Energy: -0.4798875842698611
Energy: -0.7532601548815832
Energy: -2.3180265037952212
Energy: -2.6013446744106843
Energy: -2.3180265037803536
Energy: -0.7532601547932508
Energy: -2.3180265037768555
Energy: -0.7747724798964122
Energy: -0.7453608314910798
Energy: -0.4876754789185049
Energy: -0.7453608314937036
Energy: -0.7747724798404392
Energy: -0.7453608315496764

minimum gb energy = -2.60742599524043 eV
minimum distance =  2.57595228658081 Angstroms
sigma value = 43


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

Energy: 2.8797972057855468
Energy: 2.391773908956936
Energy: 2.463149903877996
Energy: 2.3917739089575734
Energy: 2.8797972057842722
Energy: 2.3917739089575734
Energy: 2.341648179922824
Energy: 2.2931690664642677
Energy: 2.2988634026767065
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Energy: 2.341648179922824
Energy: 2.2931690664655426
Energy: 2.2982473581898097
Energy: 2.6284003258559987
Energy: 2.3136818986452465
Energy: 2.6284003258591846
Energy: 2.298247358190447
Energy: 2.6284003258585473
Energy: 2.4731127562102007
Energy: 2.2986375287769456
Energy: 2.7212923709573307
Energy: 2.298637528777583
Energy: 2.4731127562102007
Energy: 2.298637528777583
Energy: 2.3000618958902037
Energy: 2.386153924687971
Energy: 2.485016225450583
Energy: 2.3861539246898826
Energy: 2.3000618958895664
Energy: 2.3861539246898826
Energy: 2.6321700204538985
Energy: 2.6294758266831484
Energy: 2.393518362478958
Energy: 2.629475826681237
Energy: 2.6321700204538985
Energy: 2.629475826681874
Energy: 2.3943363235742594
Energy: 2.6302267507872754
Energy: 2.296352309793056
Energy: 2.6302267507853636
Energy: 2.394336323574896
Energy: 2.6302267507853636
Energy: 2.534011995500565
Energy: 2.3861143535109695
Energy: 2.300590857188079
Energy: 2.3861143535109695
Energy: 2.5340119955012024
Energy: 2.3861143535116063
Energy: 2.7226361243388224
Energy: 2.2988207256588615
Energy: 2.6399916519550213
Energy: 2.298820725660136
Energy: 2.722636124337548
Energy: 2.298820725659499
Energy: 2.771977511235126
Energy: 2.628814972542347
Energy: 2.3009661638655685
Energy: 2.628814972544258
Energy: 2.771977511233214
Energy: 2.628814972544258
Energy: 2.3007261822462186
Energy: 2.4542215713774884
Energy: 2.555372076201493
Energy: 2.4542215713768516
Energy: 2.300726182246856
Energy: 2.4542215713774884
Energy: 2.295986764008964
Energy: 2.3919006163224896
Energy: 2.8803054024761403
Energy: 2.3919006163244014
Energy: 2.295986764008327
Energy: 2.3919006163250383
Energy: 2.3007154039318376
Energy: 2.293727825261136
Energy: 2.639560108332386
Energy: 2.293727825259224
Energy: 2.3007154039318376
Energy: 2.293727825259224
Energy: 2.7300461319882596
Energy: 2.2989761847994723
Energy: 2.3022671098780836
Energy: 2.2989761847988346
Energy: 2.730046131990171
Energy: 2.29897618479756
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Energy: 2.299414896421482
Energy: 2.2962247548942796
Energy: 2.2994148964208447
Energy: 2.725238243435884
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Energy: 2.63114396476055
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Energy: 2.3964011974456536
Energy: 2.3915409069913016
Energy: 2.6302233267197352
Energy: 2.3915409069906644
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Energy: 2.391540906990027
Energy: 2.2961922140572395
Energy: 2.6304414509891716
Energy: 2.3976504962098524
Energy: 2.630441450990446
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Energy: 2.2962167350292795
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Energy: 2.727021625001938
Energy: 2.2948414562705977
Energy: 2.2962167350286418
Energy: 2.2948414562699604
Energy: 2.3010685578542422
Energy: 3.0451999269458696
Energy: 2.726235040093332
Energy: 3.045199926944595
Energy: 2.3010685578574286
Energy: 3.045199926944595
Energy: 2.3048856637757544
Energy: 2.6299977974336786
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Energy: 2.6299977974317668
Energy: 2.3048856637744795
Energy: 2.629997797432404
Energy: 2.733979562864689
Energy: 2.334174173128049
Energy: 2.3043880849384144
Energy: 2.3341741731293237
Energy: 2.7339795628653256
Energy: 2.334174173129961
Energy: 2.729855101189548
Energy: 2.9489922663035784
Energy: 2.294844229991254
Energy: 2.948992266304215
Energy: 2.7298551011971366
Energy: 2.9489922663035784
Energy: 2.300610087833346
Energy: 2.641927942453259
Energy: 2.2990609443227434
Energy: 2.6419279424564452
Energy: 2.3006100878346203
Energy: 2.6419279424570825
Energy: 2.305794489896618
Energy: 3.0457641476139274
Energy: 2.7300550358905786
Energy: 3.0457641476158392
Energy: 2.305794489897255
Energy: 3.0457641476158392
Energy: 2.2946767521139275
Energy: 3.4640503719471436
Energy: 2.726974582919786
Energy: 3.4640503719471436
Energy: 2.2946767521139275
Energy: 3.4640503719465063
Energy: 2.2993984359802253
Energy: 2.6390337158771726
Energy: 2.630542484516341
Energy: 2.6390337158733495
Energy: 2.2993984359808626
Energy: 2.6390337158765353
Energy: 2.628917087852422
Energy: 3.5144100541384895
Energy: 2.628908651992118
Energy: 3.5144100541404004
Energy: 2.6289170878511476
Energy: 3.5144100541397636
Energy: 2.63055209947909
Energy: 2.6317997103755797
Energy: 2.29352564418994
Energy: 2.631799710376217
Energy: 2.6305520994803646
Energy: 2.631799710376217
Energy: 2.7274853068789295
Energy: 3.4640119215291527
Energy: 2.2948707967472015
Energy: 3.46401192152979
Energy: 2.727485306879567
Energy: 3.46401192152979
Energy: 2.7298864337542796
Energy: 3.045767724518427
Energy: 2.3057579001213995
Energy: 3.0457677245171526
Energy: 2.7298864337555537
Energy: 3.0457677245177894
Energy: 2.2990704193178355
Energy: 2.6419730828967762
Energy: 2.300610463606662
Energy: 2.641973082897414
Energy: 2.299070419318473
Energy: 2.641973082897414
Energy: 2.294782765438563
Energy: 2.948957753772475
Energy: 2.5742762635210057
Energy: 2.948957753775024
Energy: 2.294782765438563
Energy: 2.948957753774387
Energy: 2.304347631629151
Energy: 2.3342233560423646
Energy: 2.7339615434439137
Energy: 2.334223356039815
Energy: 2.3043476316297884
Energy: 2.33422335604109
Energy: 2.295432532304398
Energy: 2.6298209493093987
Energy: 2.30485293207783
Energy: 2.6298209493106732
Energy: 2.2954325323031237
Energy: 2.6298209493093987
Energy: 2.726164692705638
Energy: 3.045334795279086
Energy: 2.300905506000564
Energy: 3.0453347952771743
Energy: 2.726164692705638
Energy: 3.0453347952771743

minimum gb energy = 2.2931690664642677 eV
minimum distance =  2.55264496166312 Angstroms
sigma value = 81


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

Energy: 2.6294779349399713
Energy: 2.631076052180804
Energy: 0.47543549068509755
Energy: 2.631076052181043
Energy: 2.629477934940929
Energy: 2.631076052179633
Energy: 2.629971454090804
Energy: 2.630576289206583
Energy: 2.6299787332744002
Energy: 2.6305762892061044
Energy: 2.6299714540910437
Energy: 2.630576289206344
Energy: 2.6299126680139095
Energy: 2.630443271091361
Energy: 2.6313470771874816
Energy: 2.630443271090882
Energy: 2.629912668013431
Energy: 2.6304432710916
Energy: 1.2928026279832854
Energy: 2.6310760521819745
Energy: 2.629477934940929
Energy: 2.631076052179633
Energy: 1.292802627983525
Energy: 2.6310760521803513
Energy: 2.629978733274879
Energy: 2.6305762892070357
Energy: 2.6299714540929053
Energy: 2.6305762892068225
Energy: 2.6299787332744002
Energy: 2.6305762892061044
Energy: 2.631347077188173
Energy: 2.6304432710906425
Energy: 2.629912668014149
Energy: 2.630443271091361
Energy: 2.631347077183038
Energy: 2.630443271091121
Energy: 2.6294779349406894
Energy: 2.6310760521812826
Energy: 0.5529649957897398
Energy: 2.631076052180112
Energy: 2.629477934941141
Energy: 2.6310760521794205
Energy: 2.6299714540938632
Energy: 2.6305762892058646
Energy: 2.6299787332769813
Energy: 2.630576289206344
Energy: 2.6299714540910437
Energy: 2.630576289206344
Energy: 2.62991266801367
Energy: 2.630443271091813
Energy: 0.9825807098062399
Energy: 2.63044327109019
Energy: 2.62991266801367
Energy: 2.630443271089472
Energy: 3.089147937384849
Energy: 2.631076052179181
Energy: 2.629477934941381
Energy: 2.6310760521798726
Energy: 3.0891479373839177
Energy: 2.6310760521798726

minimum gb energy = 0.47543549068509755 eV
minimum distance =  2.52786227321602 Angstroms
sigma value = 3


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

Energy: 2.0332715246464876
Energy: 2.017721994899642
Energy: 0.4042818571119361
Energy: 2.0177219949017444
Energy: 2.033271524624067
Energy: 2.0177219949017444
Energy: 0.2360237122742037
Energy: 0.26308227632856596
Energy: 0.014605241720175608
Energy: 0.2630822763957955
Energy: 0.23602371043722187
Energy: 0.26308227647353466
Energy: 2.1354031131963973
Energy: 0.22916070684173534
Energy: 1.1327473805099444
Energy: 0.22916070697759575
Energy: 2.135403113197098
Energy: 0.2291607067787096
Energy: 0.38463728103034184
Energy: 1.854418200587704
Energy: -0.21836708192102747
Energy: 1.8544133772946427
Energy: 0.38463728077260195
Energy: 1.8544141395358629
Energy: 0.23312320860967703
Energy: 0.2314144452453274
Energy: 2.0437249163403575
Energy: 0.23141444522644197
Energy: 0.2331232087623528
Energy: 0.23141444522293872
Energy: -0.03860077345010538
Energy: 2.36649305699505
Energy: 2.0193075189129353
Energy: 2.366493056991547
Energy: -0.03860077093872596
Energy: 2.366493056992248
Energy: 0.23366253827357186
Energy: 0.244881338669093
Energy: -0.7904338090256762
Energy: 0.2448813386676917
Energy: 0.23366253520333669
Energy: 0.244881338669093
Energy: 0.2498958560422255
Energy: 0.04015250246381753
Energy: -0.24015118487852813
Energy: 0.04015250282729032
Energy: 0.2498958560429261
Energy: 0.04015250289592116
Energy: 2.1408463405850746
Energy: 2.1473432875472573
Energy: 1.9075836261609962
Energy: 2.1473432875444547
Energy: 2.1408463405864757
Energy: 2.1473432875444547
Energy: 2.145329807930628
Energy: 0.27334874939514797
Energy: 0.06775415903967075
Energy: 0.27334874939935183
Energy: 2.1453298079278253
Energy: 0.2733487493979505
Energy: -0.01657070249475347
Energy: 0.19159396052518604
Energy: 0.25411366428023846
Energy: 0.19159396051117325
Energy: -0.016570703088609334
Energy: 0.1915939605258867
Energy: -0.08300279452302362
Energy: 0.27448195229523964
Energy: 0.0692549945154889
Energy: 0.2744816267376693
Energy: -0.08300283778583921
Energy: 0.27448194531228187
Energy: 2.1464295128135
Energy: 0.6632485756895173
Energy: 0.051068240980812876
Energy: 0.6632485756881161
Energy: 2.1464295128135
Energy: 0.6632485756881161
Energy: 2.1435126071883066
Energy: 0.9996087285324411
Energy: -0.20864059112941052
Energy: 0.999608728549957
Energy: 2.143512607186905
Energy: 0.9996087285093518
Energy: 0.21067065175792937
Energy: 0.1749291322324149
Energy: -0.1970173960553974
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Energy: 0.21067065168369342
Energy: 0.17492913222961234
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Energy: 0.28012006875730794
Energy: 2.0229175605770675
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Energy: 0.12496105726213877
Energy: 0.2801200172341091
Energy: 0.11129089873602155
Energy: 0.23206322330755777
Energy: 2.017598039505256
Energy: 0.2320632302254197
Energy: 0.1112908987367222
Energy: 0.23206323949217636
Energy: 0.06332792151555633
Energy: -0.002823643585233686
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Energy: -0.002823643585233686
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Energy: 0.9614603908123622
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Energy: 0.961460433405653
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Energy: -0.003489557788698191
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Energy: 2.1458050733987344
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Energy: 0.016638002499224227
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Energy: 0.24976806748365732
Energy: -0.062201962237240546
Energy: 0.30713760195308376
Energy: 0.2546603130895539
Energy: 0.3071376019523831
Energy: -0.06220195231220101
Energy: 0.3071376019523831
Energy: 2.14290101318791
Energy: 0.21770563615153574
Energy: 0.00011825563551010693
Energy: 0.21770563622156788
Energy: 2.1429010131886113
Energy: 0.21770563605768187
Energy: 2.1423323731690456
Energy: 0.3196074852881886
Energy: 1.9199362108693703
Energy: 0.31960748495484337
Energy: 2.1423323731683452
Energy: 0.3196074849835696
Energy: 0.22127354987675774
Energy: -0.009961427115155137
Energy: -0.15818589873805122
Energy: -0.009961427123562815
Energy: 0.2212735498690507
Energy: -0.009961427126365373
Energy: 0.246592648931292
Energy: 0.3863601071665847
Energy: 2.3585760036603487
Energy: 0.3863601052588701
Energy: 0.24659264893899907
Energy: 0.38636010060168596
Energy: 0.18303776755902554
Energy: 0.25545936808608527
Energy: 2.0258027596370805
Energy: 0.2554593680720725
Energy: 0.183037767370649
Energy: 0.2554593680825821
Energy: 0.233229031330899
Energy: 0.15649997901658164
Energy: 2.042581564322843
Energy: 0.15649997901798293
Energy: 0.2332290313301984
Energy: 0.15649997901868354
Energy: 0.7210118640227046
Energy: 0.18704452815452288
Energy: -0.1413465329746859
Energy: 0.18704452794092333
Energy: 0.7210118640163989
Energy: 0.18704452781066802
Energy: 2.1448408774703336
Energy: 0.2280209830302617
Energy: 2.0070492774156414
Energy: 0.22802098084732308
Energy: 2.1448408774696333
Energy: 0.22802098074299143
Energy: 0.4862395343188001
Energy: 0.24133118186123964
Energy: 0.07146332062422486
Energy: 0.24133118220789707
Energy: 0.4862390276288844
Energy: 0.24133118184932878
Energy: -0.07252292030821612
Energy: -0.013691879538539406
Energy: 0.2829135163293634
Energy: -0.013683798399128947
Energy: -0.07256010200860799
Energy: -0.012902962305118056
Energy: 0.2562265076802029
Energy: 0.30657882942080694
Energy: 0.0334157855370966
Energy: 0.30657882941029746
Energy: 0.25619956946939304
Energy: 0.3065788294299154

minimum gb energy = -0.7904338090256762 eV
minimum distance =  2.47289819584138 Angstroms
sigma value = 67


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

Energy: -0.916344835633805
Energy: 0.20055557297225782
Energy: -0.28512488016068505
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Energy: -0.5905944433281481
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Energy: 0.3855055305242224
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Energy: -0.1544740433707747
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Energy: 2.140169568029249
Energy: -0.5067629478815272
Energy: -0.18584247191121248
Energy: -0.5632784592154843

minimum gb energy = -1.1079982472307042 eV
minimum distance =  2.50410259522027 Angstroms
sigma value = 33


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

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Energy: 1.2295696029390903
Energy: 3.3089372810433035
Energy: 1.2295696029390903
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Energy: 1.340835709355768
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Energy: 1.9199460600415539
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Energy: 1.3988932744551017
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Energy: 1.420285901623946
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Energy: 2.066147798650568
Energy: 1.336174892098984
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Energy: 1.337551003130511
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Energy: 1.9213800692129535
Energy: 1.3226331192779257
Energy: 2.4327131650489
Energy: 1.322633119270959
Energy: 1.921380069192745
Energy: 1.3226331192753924
Energy: 1.340874665700942
Energy: 2.506491744713596
Energy: 2.0528791044691848
Energy: 2.506491744712963
Energy: 1.340874665702842
Energy: 2.506491744712963
Energy: 1.3455092726348656
Energy: 1.5610957619096082
Energy: 1.336808924062826
Energy: 1.5610957619102415
Energy: 1.3455092616231064
Energy: 1.5610957619102415
Energy: 1.3330977507186887
Energy: 2.5924209443213155
Energy: 1.346533547270677
Energy: 2.592420944325115
Energy: 1.3330977507193222
Energy: 2.5924209443238486
Energy: 2.587996738620386
Energy: 1.2274067684724261
Energy: 2.4776884111592454
Energy: 1.2274067684711596
Energy: 2.587996738623553
Energy: 1.2274067684698928
Energy: 1.3343932819434612
Energy: 2.7113662230029054
Energy: 1.346200421249821
Energy: 2.7113662230029054
Energy: 1.334393281942828
Energy: 2.7113662230035387

minimum gb energy = 0.35439498486796067 eV
minimum distance =  2.49648627176445 Angstroms
sigma value = 41


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

Energy: -0.3360042300327308
Energy: 0.2825407246540989
Energy: 3.5876610168473504
Energy: 0.2825407246540989
Energy: -0.3360039924959421
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Energy: -0.3251464794407431
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Energy: -0.33400674934983
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Energy: 0.07394386483063432
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Energy: -0.33395448384773707
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Energy: 2.444920068462984
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Energy: 0.04144352980731294
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Energy: -0.3267853358695292
Energy: 1.2499847397134576
Energy: 1.948025164266901
Energy: 1.2499849934608305
Energy: -0.32678478649576287
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Energy: 2.4531691630646795
Energy: 0.019415545475373844
Energy: 0.03860029031656449
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Energy: 2.4526466042790345
Energy: 0.019415545468457193
Energy: -0.33342935552662145
Energy: 0.2861847981371238
Energy: 0.038252962578109055
Energy: 0.2861847981405822
Energy: -0.3333889715015734
Energy: 0.28618479813539466

minimum gb energy = -0.3360042300327308 eV
minimum distance =  2.65897305022868 Angstroms
sigma value = 11


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

Energy: 3.4435737357102503
Energy: 2.09560404535347
Energy: 2.204051169117386
Energy: 2.0956040453527107
Energy: 3.4435737357102503
Energy: 2.09560404535347
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Energy: 2.203984377735478
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Energy: 2.109840876025779
Energy: 2.20602067940783
Energy: 2.0997883445337484
Energy: 2.217183527930606
Energy: 2.109548570598698
Energy: 2.217183527931365
Energy: 2.099788344532989
Energy: 2.217183527930606
Energy: 2.0968826349430234
Energy: 2.2944687426286596
Energy: 2.1067554778743496
Energy: 2.2944687426286596
Energy: 2.0968826349437837
Energy: 2.2944687426309387

minimum gb energy = 2.089244842639889 eV
minimum distance =  2.49372333992978 Angstroms
sigma value = 57


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

Energy: 2.780557726221539
Energy: 2.758049285863169
Energy: 1.9242399403610395
Energy: 2.7580492858618175
Energy: 2.780557726220186
Energy: 2.7580492858618175
Energy: 2.74019955003551
Energy: 2.776898861840502
Energy: 2.7699002682419875
Energy: 2.776898861840502
Energy: 2.740199550034158
Energy: 2.779791239137348
Energy: 2.8400019323820707
Energy: 2.8556617267570394
Energy: 2.770715818059418
Energy: 2.8556617267570394
Energy: 2.8400019323820707
Energy: 2.8556617267570394
Energy: 2.771795069393505
Energy: 1.4450909782889665
Energy: 2.771852615179642
Energy: 1.219735420414312
Energy: 2.771795069393505
Energy: 3.1640866970884396
Energy: 2.7707405448129334
Energy: 2.8556880531067743
Energy: 2.84002218225666
Energy: 2.8556880531067743
Energy: 2.7707405448115816
Energy: 2.8556880531054225
Energy: 2.7704357794209864
Energy: 2.7769128407516246
Energy: 2.7376848132372618
Energy: 2.7769128407516246
Energy: 2.7704357794209864
Energy: 2.7769128407516246
Energy: 3.2883563302020704
Energy: 2.758049285863169
Energy: 2.780557726221539
Energy: 2.7580492858618175
Energy: 3.288356330199367
Energy: 2.7580492858604653
Energy: 2.7699002682406357
Energy: 2.6239024071094077
Energy: 2.740199550034158
Energy: 2.6239024071067045
Energy: 2.7699002682406357
Energy: 2.6239024071067045
Energy: 2.770715818059418
Energy: 2.8556617267570394
Energy: 2.8400019323820707
Energy: 2.8556617267570394
Energy: 2.770715818059418
Energy: 2.8556617267570394
Energy: 2.7718526151809937
Energy: 3.164086697091143
Energy: 2.7717950693921534
Energy: 3.164086697091143
Energy: 2.7718526151809937
Energy: 1.4935930782498992
Energy: 2.84002218225666
Energy: 2.8556880531054225
Energy: 2.7707405448129334
Energy: 2.8556880531081266
Energy: 2.84002218225666
Energy: 2.8556880531081266
Energy: 2.7376848132386145
Energy: 2.7769128407516246
Energy: 2.7704357794209864
Energy: 2.7769128407502723
Energy: 2.7376848132359104
Energy: 2.7769128407516246
Energy: 2.780557726221539
Energy: 2.7580492858618175
Energy: 2.4301765330306817
Energy: 2.7580492858604653
Energy: 2.780557726221539
Energy: 2.7580492858618175
Energy: 2.74019955003551
Energy: 2.7797912391387
Energy: 2.7699002682419875
Energy: 2.7797912391387
Energy: 2.74019955003551
Energy: 2.7797912391387
Energy: 2.8400019323820707
Energy: 2.8556617267583913
Energy: 2.7707158180607694
Energy: 2.8556617267570394
Energy: 2.8400019323807193
Energy: 2.8556617267570394
Energy: 2.7717950693921534
Energy: 3.1640866970884396
Energy: 2.771852615179642
Energy: 3.164086697087088
Energy: 2.7717950693921534
Energy: 3.1640866970884396
Energy: 2.7707405448129334
Energy: 2.8556880531067743
Energy: 2.84002218225666
Energy: 2.8556880531067743
Energy: 2.7707405448129334
Energy: 2.8556880531067743

minimum gb energy = 1.219735420414312 eV
minimum distance =  2.49413551021201 Angstroms
sigma value = 9


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

Energy: 2.322696384970935
Energy: 2.3385273536611257
Energy: 2.734948106491627
Energy: 2.3385273536666444
Energy: 2.322696384970935
Energy: 2.3385273536666444
Energy: 2.3074883585900916
Energy: 2.370953328575903
Energy: 2.589253660190851
Energy: 2.370953328575903
Energy: 2.3074883585900916
Energy: 2.370953328575903
Energy: 2.7071679974480274
Energy: 2.3834541736692323
Energy: 2.5678380197001043
Energy: 2.3834541736659207
Energy: 2.7071679974480274
Energy: 2.3834541736659207
Energy: 2.7066601508975072
Energy: 2.6502907174796198
Energy: 2.383586645748097
Energy: 2.6502907174785157
Energy: 2.7066601508975072
Energy: 2.6502907174785157
Energy: 2.308397606571703
Energy: 2.568936961256711
Energy: 2.5648263242937057
Energy: 2.568936961256711
Energy: 2.3083976065728073
Energy: 2.568936961257815
Energy: 2.707402291484189
Energy: 2.6490069269687706
Energy: 2.623470427539928
Energy: 2.649006926973185
Energy: 2.7074022914830858
Energy: 2.649006926973185
Energy: 2.709409754132079
Energy: 2.3832251648336853
Energy: 2.5791939631644776
Energy: 2.383225164836997
Energy: 2.709409754129872
Energy: 2.383225164835893
Energy: 2.3095455091682426
Energy: 2.3617826868886467
Energy: 2.5667046688358996
Energy: 2.3617826868930614
Energy: 2.3095455091682426
Energy: 2.3617826868930614
Energy: 2.309260908916635
Energy: 2.308289537214482
Energy: 2.380865770200106
Energy: 2.308289537217793
Energy: 2.309260908917738
Energy: 2.308289537218897
Energy: 2.7363231997430404
Energy: 2.385232075312721
Energy: 2.567442365875973
Energy: 2.385232075312721
Energy: 2.7363231997430404
Energy: 2.385232075312721
Energy: 2.7136694842290847
Energy: 2.474852009487184
Energy: 2.3842365516569513
Energy: 2.4748520094882887
Energy: 2.7136694842312923
Energy: 2.4748520094882887
Energy: 2.7112035092161237
Energy: 2.6475806148079255
Energy: 2.381558692595942
Energy: 2.647580614811237
Energy: 2.7112035092161237
Energy: 2.647580614811237
Energy: 2.7145113363129267
Energy: 2.633029391672197
Energy: 2.3857258977666103
Energy: 2.633029391671094
Energy: 2.7145113363129267
Energy: 2.633029391671094
Energy: 2.7101191750164775
Energy: 2.592740408235838
Energy: 2.3798640036554777
Energy: 2.592740408236942
Energy: 2.7101191750164775
Energy: 2.592740408236942
Energy: 2.735918405971476
Energy: 2.362268435518821
Energy: 2.487051744340613
Energy: 2.3622684355133026
Energy: 2.7359184059725794
Energy: 2.3622684355121986
Energy: 2.3079718103223987
Energy: 2.3139467464911503
Energy: 2.38181594907478
Energy: 2.3139467464922543
Energy: 2.307971810324606
Energy: 2.313946746493358
Energy: 2.307031232174301
Energy: 2.312893187512382
Energy: 2.4929894019729386
Energy: 2.312893187513485
Energy: 2.307031232178716
Energy: 2.312893187513485
Energy: 2.5774833276052025
Energy: 2.3837799354506264
Energy: 2.5692901133311468
Energy: 2.3837799354506264
Energy: 2.577483327606307
Energy: 2.3837799354506264
Energy: 2.7146146858581814
Energy: 2.593579809730553
Energy: 2.513276393337589
Energy: 2.59357980973276
Energy: 2.7146146858581814
Energy: 2.59357980973276
Energy: 2.7061320031884972
Energy: 2.9754383076470474
Energy: 2.4877753534822302
Energy: 2.97543830764484
Energy: 2.7061320031884972
Energy: 2.97543830764484
Energy: 2.7149683131811915
Energy: 2.6495621535173117
Energy: 2.3804019898146835
Energy: 2.6495621535173117
Energy: 2.7149683131811915
Energy: 2.6495621535173117

minimum gb energy = 2.307031232174301 eV
minimum distance =  2.50433957259196 Angstroms
sigma value = 27


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

Energy: 2.8001025611907875
Energy: 2.7692865979130223
Energy: 2.9605600546557578
Energy: 2.769286597912092
Energy: 2.8001025611889268
Energy: 2.7692865979111616
Energy: 2.7127832847304525
Energy: 2.6996053542183494
Energy: 2.7129046985205263
Energy: 2.6996053542155587
Energy: 2.7127832847304525
Energy: 2.699605354217419
Energy: 2.705835297706738
Energy: 2.7058734434614697
Energy: 2.713072368256128
Energy: 2.7058734434624
Energy: 2.7058352977058076
Energy: 2.7058734434624
Energy: 2.713663118688079
Energy: 3.228810457048944
Energy: 2.7776615902016073
Energy: 3.228810457048944
Energy: 2.713663118688079
Energy: 3.228810457048944
Energy: 2.7134127570739195
Energy: 3.3199251561075593
Energy: 2.713127519013182
Energy: 3.319925156114072
Energy: 2.7134127570739195
Energy: 3.3199251561075593
Energy: 2.7035678046154934
Energy: 2.7008296062284556
Energy: 2.699998724937684
Energy: 2.700829606223804
Energy: 2.7035678046154934
Energy: 2.7008296062275257
Energy: 2.7134343708917354
Energy: 3.023801700663598
Energy: 2.7133522762829494
Energy: 3.0238017006626676
Energy: 2.713434370892666
Energy: 3.023801700663598
Energy: 2.713730456158217
Energy: 2.976775262006354
Energy: 2.71318155044012
Energy: 2.9767752620017016
Energy: 2.7137304561591473
Energy: 2.9767752620035624
Energy: 2.7150549139232423
Energy: 2.774645343644332
Energy: 2.780450341708839
Energy: 2.7746453436434018
Energy: 2.7150549139223124
Energy: 2.7746453436434018
Energy: 2.714333137700604
Energy: 2.7149471279533905
Energy: 2.7989639182497483
Energy: 2.71494712795246
Energy: 2.714333137699674
Energy: 2.71494712795246
Energy: 2.7143220987798613
Energy: 2.7149202873697167
Energy: 2.7986793077938623
Energy: 2.7149202873697167
Energy: 2.7143220987798613
Energy: 2.7149202873697167
Energy: 2.714491645609122
Energy: 2.779015078427673
Energy: 2.780412922297374
Energy: 2.779015078427673
Energy: 2.7144916456081916
Energy: 2.7790150784248815
Energy: 2.713746489360118
Energy: 2.7049458969577245
Energy: 2.713082630143465
Energy: 2.7049458969549334
Energy: 2.713746489357327
Energy: 2.7049458969558637
Energy: 2.7134000394374227
Energy: 3.0239897910276468
Energy: 2.7132819369508363
Energy: 3.0239897910276468
Energy: 2.7134000394364928
Energy: 3.0239897910276468
Energy: 2.703888142831894
Energy: 2.7010324791245774
Energy: 2.6946849441494214
Energy: 2.701032479123647
Energy: 2.703888142831894
Energy: 2.701032479122717
Energy: 2.7133618814281633
Energy: 3.3199251561075593
Energy: 2.7131365410596877
Energy: 3.319925156114072
Energy: 2.713361881429093
Energy: 3.319925156106629
Energy: 2.71379521935107
Energy: 3.2288482061259285
Energy: 2.663184628154558
Energy: 3.228848206126859
Energy: 2.713795219352931
Energy: 3.2288482061259285
Energy: 2.7055450442546882
Energy: 2.7052321656310334
Energy: 2.7130518655711833
Energy: 2.705232165640295
Energy: 2.7055450442556186
Energy: 2.705232165640295
Energy: 2.7127909802178802
Energy: 2.6995963924513893
Energy: 2.712990268745734
Energy: 2.6995963924458075
Energy: 2.7127909802178802
Energy: 2.699596392449529
Energy: 2.8001025611907875
Energy: 2.7692865979130223
Energy: 2.8105260051601295
Energy: 2.769286597912092
Energy: 2.8001025611907875
Energy: 2.769286597912092
Energy: 2.7127832847304525
Energy: 2.699605354222071
Energy: 2.7129046985214567
Energy: 2.699605354222071
Energy: 2.7127832847304525
Energy: 2.699605354222071
Energy: 2.705835297704877
Energy: 2.7058734434614697
Energy: 2.713072368256128
Energy: 2.7058734434605394
Energy: 2.705835297706738
Energy: 2.7058734434605394
Energy: 2.7136631186862177
Energy: 3.2288104570498746
Energy: 2.777661590200677
Energy: 3.228810457048944
Energy: 2.713663118687148
Energy: 3.228810457048014
Energy: 2.7134127570739195
Energy: 3.31992515610849
Energy: 2.713127519013182
Energy: 3.3199251561075593
Energy: 2.7134127570739195
Energy: 3.3199251561131415
Energy: 2.7035678046164238
Energy: 2.7008296062275257
Energy: 2.699998724938572
Energy: 2.7008296062284556
Energy: 2.7035678046154934
Energy: 2.7008296062284556

minimum gb energy = 2.663184628154558 eV
minimum distance =  2.54539684182966 Angstroms
sigma value = 19


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

Energy: 2.5710966390888257
Energy: 1.493389996969852
Energy: 0.5347487149190961
Energy: 1.493389996969852
Energy: 2.5710966390888257
Energy: 1.493389996969852
Energy: 2.453418551186657
Energy: -0.08341331437882671
Energy: 2.3554794170256255
Energy: -0.08341331438525117
Energy: 2.45341855118746
Energy: -0.08341331438766035
Energy: 0.7721238385988739
Energy: 2.456568183735974
Energy: 2.354403514821538
Energy: 2.4565681837343676
Energy: 0.7721238385988739
Energy: 2.4565681837343676
Energy: 2.45482598355278
Energy: 2.4832588634082433
Energy: 2.4524550148035185
Energy: 2.48325886340744
Energy: 2.4548259835535835
Energy: 2.4832588634082433
Energy: 2.4555362556046334
Energy: 0.48633625253569984
Energy: 2.4594005349046264
Energy: 0.4863362525477457
Energy: 2.4555362556046334
Energy: 0.48633625264889463
Energy: 1.837660432316431
Energy: 2.449177256835377
Energy: 2.4514469089107838
Energy: 2.449177256835377
Energy: 1.837660432316431
Energy: 2.449177256835377
Energy: 2.4555829333936625
Energy: 2.5094596586333755
Energy: 2.4545876754569296
Energy: 2.509459658634179
Energy: 2.4555829333928596
Energy: 2.509459658640603
Energy: 2.45797070188885
Energy: 2.4496762395626326
Energy: 2.4522358805863167
Energy: 2.4496762395642384
Energy: 2.4579707018872443
Energy: 2.449676239563435
Energy: 2.4551753967373657
Energy: 2.448795228186063
Energy: 1.3081465352844541
Energy: 2.44879522818526
Energy: 2.4551753967373657
Energy: 2.448795228184457
Energy: 2.4591380033045684
Energy: 1.012959002350619
Energy: 2.3549751590370835
Energy: 1.0129590023530282
Energy: 2.4591380033061743
Energy: 1.0129590023530282
Energy: 2.4612114950779675
Energy: 2.3535786125310056
Energy: 2.3568517381321694
Energy: 2.3535786125302023
Energy: 2.4612114950763613
Energy: 2.3535786125302023
Energy: 1.6414235029350872
Energy: 2.355682806544749
Energy: 2.3563747906431467
Energy: 2.3556828065415365
Energy: 1.6414235029350872
Energy: 2.3556828065415365
Energy: 1.6415415416838357
Energy: 2.4677204760467677
Energy: 2.3577116226126336
Energy: 2.467720476045162
Energy: 1.6415415416822294
Energy: 2.467720476045162
Energy: 2.4333290684533306
Energy: 2.3538330050218077
Energy: 2.265929173783615
Energy: 2.353833005018632
Energy: 2.4333290684525277
Energy: 2.353833005018632
Energy: 2.4629584073532853
Energy: 2.4776982132783183
Energy: 2.357817490259456
Energy: 2.4776982132807275
Energy: 2.4629584073532853
Energy: 2.477698213275909
Energy: 2.4634250262451514
Energy: 2.450553971435301
Energy: -0.23609267281909618
Energy: 2.4505539714312854
Energy: 2.4634250262451514
Energy: 2.4505539714312854
Energy: 0.765811679640039
Energy: 2.450253140286739
Energy: -0.25181329644937056
Energy: 2.4502531402859358
Energy: 0.7658221966754829
Energy: 2.4502531402859358
Energy: 2.463724662188429
Energy: 2.540488842472525
Energy: 2.358328353959333
Energy: 2.5405183594113376
Energy: 2.463724662188429
Energy: 2.5404443570667135
Energy: 0.7653655566934163
Energy: 2.4461011124247882
Energy: -0.2390017918037648
Energy: 2.446101112423182
Energy: 0.7653718952615675
Energy: 2.446101112420773
Energy: 2.463401503163102
Energy: 2.4493545300697663
Energy: -0.23895912103291392
Energy: 2.4493545300737813
Energy: 2.463401503163102
Energy: 2.4493545300737813
Energy: 2.463416280296495
Energy: 2.4742035940922964
Energy: 2.3579217700040607
Energy: 2.4742035940922964
Energy: 2.4634162802956925
Energy: 2.4742035940922964
Energy: 2.433321882021007
Energy: 2.3537157601346634
Energy: 2.2659969260338233
Energy: 2.353715760135466
Energy: 2.433321882026592
Energy: 2.353715760135466
Energy: 1.6408850362095124
Energy: 2.467694418990978
Energy: 2.3576741354898862
Energy: 2.4676944189941903
Energy: 1.6408850362159368
Energy: 2.4676944189941903
Energy: 1.6103507849093626
Energy: 2.3559203591978157
Energy: 2.3563717306878296
Energy: 2.3559203592010283
Energy: 1.6103507849093626
Energy: 2.3559203592010283
Energy: 2.4611672406239125
Energy: 2.3535495125460124
Energy: -0.10388440338693086
Energy: 2.3535495125468153
Energy: 2.4611672406239125
Energy: 2.3535495125460124
Energy: 2.458983422166481
Energy: 1.0133447285781745
Energy: 2.356886129961457
Energy: 1.0133447285765684
Energy: 2.458983422165678
Energy: 1.0133447285725534
Energy: 2.455193836613391
Energy: 2.449086292322088
Energy: -0.47182707291746406
Energy: 2.449086292323694
Energy: 2.455193836614194
Energy: 2.449086292323694
Energy: 2.4580283882613667
Energy: 2.449836956390865
Energy: 2.452208528901807
Energy: 2.449836956392471
Energy: 2.4580283882613667
Energy: 2.4498369563932743
Energy: 2.4557009965694374
Energy: 2.5094596586373914
Energy: 2.4545947747014316
Energy: 2.509459658635785
Energy: 2.4557009965710432
Energy: 2.5094596586309668

minimum gb energy = -0.47182707291746406 eV
minimum distance =  2.56813088985989 Angstroms
sigma value = 101


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

Energy: 2.451877321453191
Energy: 2.501866534655466
Energy: 2.5052611635438624
Energy: 2.50186653465476
Energy: 2.4518773214517786
Energy: 2.501866534656172
Energy: 2.448098782652213
Energy: 2.454933226178674
Energy: 2.474230335070009
Energy: 2.4549332261800854
Energy: 2.448098782650801
Energy: 2.4549332261800854
Energy: 2.4738210891100576
Energy: 2.4760118773458277
Energy: 2.4778604367053036
Energy: 2.4760118773458277
Energy: 2.473821089109352
Energy: 2.4760118773465334
Energy: 2.4358458377871623
Energy: 2.463528319293648
Energy: 2.4485516221991874
Energy: 2.463528319293648
Energy: 2.4358458377864562
Energy: 2.6892494136970173
Energy: 2.4765781564170735
Energy: 2.4895332273639856
Energy: 2.474385314918683
Energy: 2.4895332273646913
Energy: 2.476578156418485
Energy: 2.4895332273639856
Energy: 2.469317073193255
Energy: 2.853955142977184
Energy: 2.4800226482881693
Energy: 2.8539551429764782
Energy: 2.469317073192549
Energy: 2.8539551429764782
Energy: 2.429779019828788
Energy: 2.9126650813903447
Energy: 2.476627357088212
Energy: 2.9126650813889334
Energy: 2.429779019828082
Energy: 2.9126650813889334
Energy: 2.456899711663733
Energy: 2.9105170832956526
Energy: 2.473035097761886
Energy: 2.9174966371115496
Energy: 2.456899711663733
Energy: 2.9105170832970644
Energy: 2.47771948817414
Energy: 2.8546164433495727
Energy: 2.4729907111573306
Energy: 2.8546164433502783
Energy: 2.477719488174846
Energy: 2.8546164433502783
Energy: 2.4330637711010974
Energy: 2.6813216453094637
Energy: 2.477363086019729
Energy: 2.6813216453087576
Energy: 2.4330637711025087
Energy: 2.6813216453087576
Energy: 2.48064045237809
Energy: 2.8475855844934173
Energy: 2.46791802499225
Energy: 2.8475855844934173
Energy: 2.4806404523794696
Energy: 2.8475855844927116
Energy: 2.47425406819614
Energy: 2.429517929022871
Energy: 2.4783946782686197
Energy: 2.429517929021459
Energy: 2.4742540681975522
Energy: 2.4295179290235764
Energy: 2.478461278125321
Energy: 2.433537985452775
Energy: 2.435486233538395
Energy: 2.4335379854534813
Energy: 2.4784612781267326
Energy: 2.4335379854555987
Energy: 2.428759491501484
Energy: 2.437854369059499
Energy: 2.4474268015558374
Energy: -0.6898364485580051
Energy: 2.4287594915028956
Energy: 2.437854369059499
Energy: 2.429107386077762
Energy: 2.4852892998508795
Energy: 2.446656539452694
Energy: 2.485289299850174
Energy: 2.4291073860798793
Energy: 2.485289299850174
Energy: 2.4734921746715037
Energy: 2.4780749788873226
Energy: 2.4695591362866733
Energy: 2.478074978888734
Energy: 2.4734921746715037
Energy: 2.478074978888734
Energy: 2.476756489594457
Energy: 2.463366172954957
Energy: 2.439266122952763
Energy: 2.463366172954957
Energy: 2.4767564895951626
Energy: 2.4633661729542515
Energy: 2.4759585141130063
Energy: 2.936796776771648
Energy: 2.433428690622676
Energy: 2.936796776772354
Energy: 2.475958514109477
Energy: 2.936796776772354
Energy: 2.4242488819943278
Energy: 2.8552618041919295
Energy: 2.4683741775569232
Energy: 2.855261804192636
Energy: 2.424248881993622
Energy: 2.855261804192636
Energy: 2.477275733286204
Energy: 2.9131858976704543
Energy: 2.4326499276644302
Energy: 2.9131858976697487
Energy: 2.47727573328691
Energy: 2.9131858976690426
Energy: 2.4997968812675584
Energy: 2.4731711109066388
Energy: 2.4714707666278444
Energy: 2.4731711109066388
Energy: 2.4997968812675584
Energy: 2.473171110907345
Energy: 2.4796629781745554
Energy: 2.8542861751236495
Energy: 2.4346187669904906
Energy: 2.8542861751250617
Energy: 2.479662978175967
Energy: 2.8542861751243556
Energy: 2.4495622746914107
Energy: 2.856336556512793
Energy: 2.4778866116560176
Energy: 2.856336556512793
Energy: 2.4495622746914107
Energy: 2.856336556512793
Energy: 2.435844779202822
Energy: 2.4685341749199203
Energy: 2.4919805488125215
Energy: 2.4685341749192142
Energy: 2.435844779199999
Energy: 2.4685341749192142
Energy: 2.477205260447751
Energy: 2.518561850932236
Energy: 2.4290254753171356
Energy: 2.5185618509315297
Energy: 2.4772052604484567
Energy: 2.5185618509315297
Energy: 2.4350877189501725
Energy: 2.4762964761019393
Energy: 2.473358084496337
Energy: 2.476296476102645
Energy: 2.4350877189501725
Energy: 2.476296476102645
Energy: 2.4464254192930315
Energy: 2.441153035473938
Energy: 2.477609046078085
Energy: 2.441153035473938
Energy: 2.4464254192916197
Energy: 2.4411530354760558
Energy: 2.4485874513154653
Energy: 2.4774338338445347
Energy: 2.4776244573662702
Energy: 2.4774338338459465
Energy: 2.4485874513161714
Energy: 2.4774338338445347
Energy: 2.4638911409831574
Energy: 2.4762680463827422
Energy: 2.498891940569156
Energy: 2.4762680463827422
Energy: 2.4638911409817457
Energy: 2.4762680463862394
Energy: 2.4326810744726335
Energy: 2.4564474808888743
Energy: 2.47716239631108
Energy: 2.456447480886756
Energy: 2.432681074471928
Energy: 2.4564474808860504
Energy: 2.4384756696162495
Energy: 2.4679971830761622
Energy: 2.4638369274873653
Energy: 2.4679971830740444
Energy: 2.438475669615544
Energy: 2.467997183075456
Energy: 2.434838632521165
Energy: 2.8669695966073565
Energy: 2.4786684672474135
Energy: 2.866969596606651
Energy: 2.4348386325218714
Energy: 2.866969596606651
Energy: 2.478403398351705
Energy: 2.985063193632792
Energy: 2.4493270258875466
Energy: 2.9850631936320857
Energy: 2.4784033983509994
Energy: 2.9850631936320857

minimum gb energy = -0.6898364485580051 eV
minimum distance =  2.51642054748305 Angstroms
sigma value = 33


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

Energy: 0.019409517425919422
Energy: 0.0206857172456683
Energy: -2.178025733682765
Energy: 0.0206857172456683
Energy: 0.019409517425919422
Energy: 0.020685717246222247
Energy: 0.020006591694704406
Energy: 1.2236614150177212
Energy: 0.020006591694704406
Energy: 1.2236614150177212
Energy: 0.020006591694704406
Energy: 1.2236614150165481
Energy: 1.4652777955258602
Energy: 0.020685717246222247
Energy: 0.019409517425919422
Energy: 0.020685717246222247
Energy: 1.4348978996035453
Energy: 0.0206857172456683
Energy: 0.020006591694704406
Energy: 1.2236614150171348
Energy: 0.020006591694704406
Energy: 1.2236614150177212
Energy: 0.02000659169529094
Energy: 1.2236614150165481

minimum gb energy = -2.178025733682765 eV
minimum distance =  2.70452013344269 Angstroms
sigma value = 1