Model name: model_name=MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391771733761
cohesive_energy=4.450350014499072
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.01814856465878114
Energy: 0.018406571645508234
Energy: 1.4669388116352577
Energy: 0.018406571645508234
Energy: 0.018406571645508234
Energy: 1.2243224217791364
Energy: 0.018406571645508234
Energy: 1.2243224217791364
Energy: 1.4669388116352577
Energy: 0.018406571646132516
Energy: 0.018148564658120137
Energy: 0.018406571645508234
Energy: 0.018406571645508234
Energy: 1.2243224217791364
Energy: 0.018406571645508234
Energy: 1.2243224217791364

minimum gb energy = 0.018148564658120137 eV
minimum distance =  2.42645587101233 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.5683745245535117
Energy: 1.5483819149777247
Energy: 1.4472837221684856
Energy: 1.5483819149777247
Energy: 1.445393275792728
Energy: 1.4949963918060944
Energy: 1.453060390252626
Energy: 1.494996391806896
Energy: 1.4030943640131126
Energy: 1.5344899385935074
Energy: 1.4888403721158563
Energy: 1.5344899385935074
Energy: 1.436981143921005
Energy: 1.5070892751802143
Energy: 1.4015868081944738
Energy: 1.5070892751810159
Energy: 1.4090119801661443
Energy: 1.554579228626582
Energy: 1.4702516088397726
Energy: 1.5545792286257805
Energy: 1.3783703191237135
Energy: 1.7187176647001101
Energy: 1.3768946230557706
Energy: 1.7187176647009117
Energy: 1.4493611737169392
Energy: 1.5319423829825576
Energy: 1.380042098800225
Energy: 1.5319423829825576
Energy: 1.3209162946540958
Energy: 1.5576026920482495
Energy: 1.3764597462954666
Energy: 1.5576026920482495
Energy: 1.400742407768929
Energy: 1.7368724793555765
Energy: 1.4663402327976567
Energy: 1.7368724793547747
Energy: 1.3650386190761252
Energy: 1.5331798578335782
Energy: 1.3130211107007752
Energy: 1.5331798578335782
Energy: 1.4731134836779138
Energy: 1.5133829983003637
Energy: 1.4007007676601875
Energy: 1.5133829983003637
Energy: 1.46348921830413
Energy: 1.5548747150559292
Energy: 1.380846196993208
Energy: 1.5548747150559292
Energy: 1.4509515724183466
Energy: 1.5305714483893664
Energy: 1.4479465637702122
Energy: 1.5305714483885646
Energy: 1.4173378724417853
Energy: 1.539254275918679
Energy: 1.3897790142341984
Energy: 1.5392542759178771
Energy: 1.4310081951449807
Energy: 1.549362584913125
Energy: 1.4450661319085225
Energy: 1.5493625849147283
Energy: 1.429157212965984
Energy: 1.548851810965599
Energy: 1.4444856554060592
Energy: 1.548851810966401
Energy: 1.489034046432268
Energy: 1.5344885603053409
Energy: 1.3643363790267347
Energy: 1.5344885603053409
Energy: 1.4530451559923394
Energy: 1.5033842341607815
Energy: 1.483869858791539
Energy: 1.5033842341607815
Energy: 1.3348993345877727
Energy: 1.5541582452024836
Energy: 1.3792852341150639
Energy: 1.5541582452024836
Energy: 1.4836355481383656
Energy: 1.715584836691766
Energy: 1.403161627841148
Energy: 1.7155848366909645
Energy: 1.3799012372052424
Energy: 1.534582943468132
Energy: 1.3259028916780764
Energy: 1.534582943468132
Energy: 1.4010605963286624
Energy: 1.4249432877733206
Energy: 1.4628027927225782
Energy: 1.424943287772519
Energy: 1.4312418312914965
Energy: 1.5545587560710494
Energy: 1.363400214870465
Energy: 1.5545587560718512
Energy: 1.413806758538361
Energy: 1.530357455728683
Energy: 1.3783114863634731
Energy: 1.530357455728683
Energy: 1.3800335148012701
Energy: 1.7189296807023606
Energy: 1.4481609527233033
Energy: 1.7189296807023606
Energy: 1.4057814945364147
Energy: 1.5554656441009855
Energy: 1.3946191393160585
Energy: 1.5554656441001842
Energy: 1.4406100325252527
Energy: 1.747220484062161
Energy: 1.4006323980070001
Energy: 1.7472204840629626
Energy: 1.3913215110048314
Energy: 1.5305518016703767
Energy: 1.5459736996930402
Energy: 1.5305518016703767
Energy: 1.444218024991685
Energy: 1.4913175083530779
Energy: 1.4477506121876926
Energy: 1.491317508352276
Energy: 1.514946442549138
Energy: 1.5500401867273566
Energy: 1.463318574673378
Energy: 1.5500401867273566
Energy: 1.4494459473760088
Energy: 1.5378098239088058
Energy: 1.4509157291898096
Energy: 1.5378098239088058
Energy: 1.4157040956518236
Energy: 1.529719474865986
Energy: 1.4168198889365353
Energy: 1.529719474865986
Energy: 1.4087974367389215
Energy: 1.5076981703803891
Energy: 1.4060191948833711
Energy: 1.5076981703811907

minimum gb energy = 1.3130211107007752 eV
minimum distance =  2.24139063830605 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.6646027187424752
Energy: 1.6474131474341116
Energy: 1.5843039678887714
Energy: 1.6474131474331977
Energy: 1.495104055364479
Energy: 1.5878703214601693
Energy: 1.5109141996650646
Energy: 1.5878703214610832
Energy: 1.4562681893049223
Energy: 1.6505604435999899
Energy: 1.5317116594136402
Energy: 1.6505604435981622
Energy: 1.4486938927396273
Energy: 1.4632467326667078
Energy: 1.436061000165198
Energy: 1.4632467326667078
Energy: 1.4487860615923664
Energy: 1.6198603323210565
Energy: 1.5281476990860665
Energy: 1.6198603323219707
Energy: 1.5505700490036665
Energy: 1.6199943788342102
Energy: 1.5320775379637956
Energy: 1.619994378832382
Energy: 1.4950726818768543
Energy: 1.4636755831293842
Energy: 1.4687696181287118
Energy: 1.4636755831321262
Energy: 1.3669818192126613
Energy: 1.6511040639054257
Energy: 1.4029799670943808
Energy: 1.6511040639045118
Energy: 1.4493798144018375
Energy: 2.0806153326680574
Energy: 1.5504678605077555
Energy: 2.0806153326680574
Energy: 1.437374164364083
Energy: 1.6506378811205198
Energy: 1.5061609646283747
Energy: 1.6506378811223477
Energy: 1.4962262886346964
Energy: 1.5678214119386615
Energy: 1.5180975553657032
Energy: 1.5678214119377474
Energy: 1.4093969870645124
Energy: 1.6319525970359579
Energy: 1.576352440198083
Energy: 1.6319525970386999
Energy: 1.5349528886491561
Energy: 1.6144943231730324
Energy: 1.4942799862238012
Energy: 1.6144943231712046
Energy: 1.5348721634079268
Energy: 1.6145176543232909
Energy: 1.5179044217669826
Energy: 1.614517654322377
Energy: 1.4092334444363903
Energy: 1.6319333013393216
Energy: 1.5734564533864814
Energy: 1.631933301337494
Energy: 1.4960871727768656
Energy: 1.5676730487882782
Energy: 1.4679907398019512
Energy: 1.5676730487882782
Energy: 1.4376127481512375
Energy: 1.650368004804748
Energy: 1.5050543171254547
Energy: 1.6503680048029197
Energy: 1.449543301703596
Energy: 2.0806725320227644
Energy: 1.550369060559241
Energy: 2.0806725320227644
Energy: 1.3669636250033417
Energy: 1.650417757055578
Energy: 1.4208941799675698
Energy: 1.6504177570537502
Energy: 1.4950274084194553
Energy: 1.463496128788478
Energy: 1.4304558390890039
Energy: 1.463496128788478
Energy: 1.550479599655719
Energy: 1.6200183386913594
Energy: 1.54653851222415
Energy: 1.6200183386895313
Energy: 1.4490252238197023
Energy: 1.6198866913180223
Energy: 1.490247099116108
Energy: 1.6198866913180223
Energy: 1.448854330227545
Energy: 1.463184834450212
Energy: 1.4666706691006042
Energy: 1.463184834449298
Energy: 1.4562760024468424
Energy: 1.6505789054235576
Energy: 1.5590614814990653
Energy: 1.6505789054244717
Energy: 1.4952552116542313
Energy: 1.593717573861217
Energy: 1.5106746637416504
Energy: 1.593717573861217
Energy: 1.6646027187424752
Energy: 1.6474131474341116
Energy: 1.6512324705702848
Energy: 1.6474131474322835
Energy: 1.4951040553635648
Energy: 1.5878703214601693
Energy: 1.5109141996650646
Energy: 1.587870321459255
Energy: 1.4562681893049223
Energy: 1.6505604435999899
Energy: 1.576496726857595
Energy: 1.6505604435981622
Energy: 1.4486938927405415
Energy: 1.4632467326657939
Energy: 1.430476756351737
Energy: 1.4632467326657939

minimum gb energy = 1.3669636250033417 eV
minimum distance =  2.2388754024016 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.6444066788929141
Energy: 1.7251167220613188
Energy: 1.6832960380832187
Energy: 1.7251167220602563
Energy: 1.6019613449834402
Energy: 1.6820395093200144
Energy: 1.5415378463757072
Energy: 1.6820395093221394
Energy: 1.530369936455639
Energy: 1.7662613420280042
Energy: 1.6067534254314098
Energy: 1.7662613420280042
Energy: 1.55093758674427
Energy: 1.5401376590996168
Energy: 1.5096382660007712
Energy: 1.5401376591006795
Energy: 1.537542851493685
Energy: 1.7145009639066526
Energy: 1.5680935104137943
Energy: 1.7145009639066526
Energy: 1.6386968160891695
Energy: 1.7679994527345615
Energy: 1.6367560259592575
Energy: 1.7679994527345615
Energy: 1.5861503360667115
Energy: 1.7357266910456803
Energy: 1.525066625451373
Energy: 1.7357266910456803
Energy: 1.6761755758367278
Energy: 1.7218053080802127
Energy: 1.4762410433188222
Energy: 1.7218053080802127
Energy: 1.5251802740765386
Energy: 1.6628285910490943
Energy: 1.5860929524257994
Energy: 1.6628285910490943
Energy: 1.6040603572161762
Energy: 1.7680562273376152
Energy: 1.5605904955471526
Energy: 1.768056227338678
Energy: 1.5794410689983858
Energy: 1.7137589327344873
Energy: 1.5858744595601322
Energy: 1.7137589327355498
Energy: 1.5490140954856317
Energy: 1.7233910561585983
Energy: 1.5231372777315382
Energy: 1.7233910561585983
Energy: 1.5582216984217165
Energy: 1.7426430914933737
Energy: 1.5042290394961386
Energy: 1.7426430914923112
Energy: 1.5769965860006254
Energy: 1.524115048999445
Energy: 1.5982538801021375
Energy: 1.5241150489941322
Energy: 1.456287368549382
Energy: 1.718935915967689
Energy: 1.4737866032431102
Energy: 1.7189359159666262
Energy: 1.5477809054762584
Energy: 1.6290987821943026
Energy: 1.5374771483588894
Energy: 1.6290987821943026
Energy: 1.4493793604954603
Energy: 1.7693994317649666
Energy: 1.4493296680584897
Energy: 1.7693994317649666
Energy: 1.4856143766184544
Energy: 1.651849910815317
Energy: 1.5514192630205514
Energy: 1.6518499108131919
Energy: 1.5014107580961082
Energy: 1.7391460101189256
Energy: 1.486955317231671
Energy: 1.739146010117863
Energy: 1.676544159997331
Energy: 1.7673639022149858
Energy: 1.5575497545507635
Energy: 1.7673639022139231
Energy: 1.539134786206968
Energy: 1.6299341936397282
Energy: 1.5616364966415337
Energy: 1.6299341936386655
Energy: 1.6188581667338493
Energy: 1.7251925288641765
Energy: 1.6900093366101405
Energy: 1.7251925288641765
Energy: 1.6019411565308455
Energy: 1.6843929906135646
Energy: 1.5409701028599077
Energy: 1.6843929906103772
Energy: 1.5282950275104152
Energy: 1.7649391847266684
Energy: 1.6040800426092132
Energy: 1.764939184725606
Energy: 1.5862462313487988
Energy: 1.5430888828968796
Energy: 1.5097743664890464
Energy: 1.5430888828958174

minimum gb energy = 1.4493296680584897 eV
minimum distance =  2.24248394489834 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.6298663585700517
Energy: 1.6301359508312099
Energy: 1.8283461349241816
Energy: 1.6301359508299424
Energy: 1.5688740174073679
Energy: 1.7266225182312125
Energy: 1.5892080082254343
Energy: 1.7266225182312125
Energy: 1.6050806453523099
Energy: 1.646966110091815
Energy: 1.592663880325288
Energy: 1.6469661100905475
Energy: 1.8990662066446504
Energy: 1.61443191811029
Energy: 1.5197293060723374
Energy: 1.6144319181115574
Energy: 1.733836988552046
Energy: 1.7277727291521252
Energy: 1.848867197984265
Energy: 1.7277727291521252
Energy: 1.4686393666643176
Energy: 1.6459967507071567
Energy: 1.6404982427886914
Energy: 1.6459967507071567
Energy: 1.5841648008919829
Energy: 1.5189139706255497
Energy: 1.5199490532097613
Energy: 1.5189139706255497
Energy: 1.666638742468589
Energy: 1.6458995156971439
Energy: 1.5021260472256683
Energy: 1.6458995156971439
Energy: 1.5850103411909728
Energy: 1.726542081390133
Energy: 1.589450695762712
Energy: 1.726542081390133
Energy: 1.623119405722004
Energy: 1.6307689598303028
Energy: 1.6408493963245456
Energy: 1.6307689598290356
Energy: 1.5284131208451703
Energy: 1.7432631626795376
Energy: 1.5471349317566683
Energy: 1.7432631626808053
Energy: 1.62471292229719
Energy: 1.7165467053779726
Energy: 1.5199161913717896
Energy: 1.7165467053767052
Energy: 1.468345232996839
Energy: 1.6470671919081865
Energy: 1.664654521789226
Energy: 1.647067191909454
Energy: 1.6027328859433319
Energy: 1.6014961556710647
Energy: 1.5881958248341412
Energy: 1.6014961556710647
Energy: 1.4683564681740187
Energy: 1.6470820875345868
Energy: 1.6669500564696755
Energy: 1.6470820875358545
Energy: 1.6248093617280417
Energy: 1.7164373408171507
Energy: 1.5201400246168726
Energy: 1.7164373408171507
Energy: 1.5286539973023472
Energy: 1.7432876823319905
Energy: 1.6200791379594437
Energy: 1.7432876823319905
Energy: 1.623153391534976
Energy: 1.6305796819792293
Energy: 1.6410081504184801
Energy: 1.6305796819779619
Energy: 1.5848242029635426
Energy: 1.7269015440562976
Energy: 1.5893738229177168
Energy: 1.7269015440550302
Energy: 1.666818609317914
Energy: 1.6461422482118022
Energy: 1.5021221867334829
Energy: 1.6461422482118022
Energy: 1.5840368139272518
Energy: 1.5190136013026614
Energy: 1.5201359249868691
Energy: 1.519013601303929

minimum gb energy = 1.468345232996839 eV
minimum distance =  2.32865505003639 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.5413579939117503
Energy: 1.8897323102711252
Energy: 1.904924097654632
Energy: 1.8897323102711252
Energy: 1.5136663620078532
Energy: 1.5554271716787416
Energy: 1.4939025619622823
Energy: 1.5554271716787416
Energy: 1.7040815603591144
Energy: 1.7959445371709801
Energy: 1.4942856100156048
Energy: 1.7959445371756468
Energy: 1.5398763636547024
Energy: 1.7783176997112997
Energy: 1.7532833040644302
Energy: 1.778317699708165
Energy: 1.7526526316020503
Energy: 1.5133367390017975
Energy: 1.6336756322938695
Energy: 1.5133367390017975
Energy: 1.4934140216818586
Energy: 1.7943778271951443
Energy: 1.7026389837416986
Energy: 1.7943778271951443
Energy: 1.556380590929666
Energy: 1.7350564438100595
Energy: 1.4933537469861746
Energy: 1.7350564438100595
Energy: 1.7325670703702891
Energy: 1.6297312673061028
Energy: 1.5403738591263836
Energy: 1.6297312673123374
Energy: 1.494187219289648
Energy: 1.6329975745846206
Energy: 1.5159415453319605
Energy: 1.6329975745846206
Energy: 1.7931358410593745
Energy: 1.6616507345748999
Energy: 1.7023622774614162
Energy: 1.6616507345748999
Energy: 1.647344219142853
Energy: 1.7774693931738759
Energy: 1.9858523813914015
Energy: 1.7774693931754433
Energy: 1.4937686497103415
Energy: 1.562315579225312
Energy: 1.793960681095191
Energy: 1.562315579225312
Energy: 1.7423781865615262
Energy: 1.794901506813285
Energy: 1.4933201570056693
Energy: 1.7949015068117173
Energy: 1.4940671723848231
Energy: 1.7599400352297014
Energy: 1.7501822356409371
Energy: 1.759940035228134
Energy: 1.4936838297835944
Energy: 1.7573386548605052
Energy: 1.7325529803161124
Energy: 1.7573386548605052
Energy: 1.5133418232334312
Energy: 1.6620947334630929
Energy: 1.4935155584003954
Energy: 1.6620947334615253
Energy: 1.4934226996561337
Energy: 1.637971674036682
Energy: 1.793499872469515
Energy: 1.6379716740382495

minimum gb energy = 1.4933201570056693 eV
minimum distance =  2.32101753723124 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.6731368493068386
Energy: 1.6736697004577759
Energy: 2.009408905873441
Energy: 1.673669700456888
Energy: 1.7634076646885568
Energy: 1.7048461524589569
Energy: 1.5267631678441966
Energy: 1.7048461524589569
Energy: 1.9351918470402447
Energy: 1.6648402397204483
Energy: 1.5254076034060267
Energy: 1.6648402397204483
Energy: 1.527861292235343
Energy: 1.8661125728192731
Energy: 1.683622238003792
Energy: 1.8661125728192731
Energy: 1.8239211084740445
Energy: 1.6445527839182152
Energy: 1.6010371014829754
Energy: 1.644552783919103
Energy: 1.5449766082017742
Energy: 1.6965648197047114
Energy: 1.9025435904473964
Energy: 1.6965648197064869
Energy: 1.5278777107842245
Energy: 1.7024911820274307
Energy: 1.6149367167009236
Energy: 1.7024911820274307
Energy: 1.9341108640170037
Energy: 1.6953009243616954
Energy: 1.5430775532597885
Energy: 1.695300924360808
Energy: 1.5442481273635094
Energy: 1.698227535120875
Energy: 1.8178749331975996
Energy: 1.6982275351199874
Energy: 1.924978907960352
Energy: 1.6431289815769232
Energy: 1.5262104363885947
Energy: 1.6431289815769232
Energy: 1.5315863349250796
Energy: 1.7083332887022062
Energy: 1.931615269658672
Energy: 1.7083332887022062
Energy: 1.5446004900335188
Energy: 1.7004939375607182
Energy: 1.5447747606831836
Energy: 1.7004939375607182
Energy: 1.7554285180378597
Energy: 1.6736294903258007
Energy: 1.679935579324018
Energy: 1.6736294903249127
Energy: 1.5254934010786978
Energy: 1.7226966813127154
Energy: 1.765399276566784
Energy: 1.7226966813153788
Energy: 1.6972037085543736
Energy: 1.703416074986412
Energy: 1.5442547228663157
Energy: 1.703416074986412
Energy: 1.7595324567496526
Energy: 1.6948167820936269
Energy: 1.7941680961965298
Energy: 1.6948167820927393
Energy: 1.614229163609985
Energy: 1.7650896528416136
Energy: 1.9347077653724247
Energy: 1.7650896528416136
Energy: 1.874950268135885
Energy: 1.6688067774375512
Energy: 1.5447998341645854
Energy: 1.6688067774366635
Energy: 1.6944038147626002
Energy: 1.7616995553645518
Energy: 1.6325813872828656
Energy: 1.7616995553636638
Energy: 1.6133498616720972
Energy: 1.867026999489555
Energy: 1.6629746208904361
Energy: 1.867026999490443
Energy: 1.6587835458943379
Energy: 1.6637433232130587
Energy: 1.7885449691455912
Energy: 1.6637433232130587
Energy: 1.6135224549410567
Energy: 1.846972096003806
Energy: 1.960401026626907
Energy: 1.846972096003806
Energy: 1.8092189777463044
Energy: 1.6739937478640206
Energy: 1.5247885296316301
Energy: 1.6739937478631328
Energy: 1.5449021879689222
Energy: 1.7615744907874855
Energy: 1.915649518046082
Energy: 1.7615744907874855
Energy: 1.6418514499106405
Energy: 1.6640550238644394
Energy: 1.9201068595593984
Energy: 1.6640550238644394
Energy: 1.8101388569926864
Energy: 1.7087008743224212
Energy: 1.5268376347813315
Energy: 1.7087008743241967
Energy: 1.567497337596301
Energy: 1.7742951278000643
Energy: 1.9916440922643497
Energy: 1.7742951277991763
Energy: 1.756464957235421
Energy: 1.6951927609123267
Energy: 1.7902596280473122
Energy: 1.6951927609114388
Energy: 1.899514948865157
Energy: 1.8113737214277055
Energy: 1.5271863217759398
Energy: 1.8113737214277055
Energy: 1.5427091190983642
Energy: 1.7591671827920765
Energy: 1.8736016049659225
Energy: 1.7591671827911888

minimum gb energy = 1.5247885296316301 eV
minimum distance =  2.2152486060268 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.4290675855952466
Energy: 1.428734632804427
Energy: 1.972659721866031
Energy: 1.4287346328064705
Energy: 1.794458101864542
Energy: 1.6216753503389238
Energy: 1.618605433588241
Energy: 1.6216753503389238
Energy: 1.4606073529754224
Energy: 1.4286165211072974
Energy: 1.7673162086343501
Energy: 1.4286165211072974
Energy: 1.4607143415578594
Energy: 1.4287140525688131
Energy: 1.658342897536539
Energy: 1.4287140525688131
Energy: 1.7945228925187493
Energy: 1.6216186756369528
Energy: 1.8763348446467105
Energy: 1.6216186756389963
Energy: 1.4290675855952466
Energy: 1.4287346328064705
Energy: 2.146359728976659
Energy: 1.4287346328064705
Energy: 1.794458101864542
Energy: 1.6216753503409678
Energy: 1.6438228624238158
Energy: 1.6216753503389238
Energy: 1.4606073529754224
Energy: 1.4286165211072974
Energy: 1.7673162086343501
Energy: 1.4286165211072974
Energy: 1.4607143415578594
Energy: 1.4287140525708568
Energy: 1.7899186694162972
Energy: 1.4287140525688131
Energy: 1.7945228925187493
Energy: 1.6216186756369528
Energy: 1.8763348446487542
Energy: 1.6216186756389963
Energy: 1.4290675855952466
Energy: 1.428734632804427
Energy: 2.146359728976659
Energy: 1.4287346328064705
Energy: 1.794458101864542
Energy: 1.6216753503389238
Energy: 1.7908470668628746
Energy: 1.6216753503389238
Energy: 1.4606073529754224
Energy: 1.4286165211072974
Energy: 1.7673162086343501
Energy: 1.4286165211072974

minimum gb energy = 1.4286165211072974 eV
minimum distance =  2.29631782899215 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.5704205196844963
Energy: 1.800361531959993
Energy: 2.1479417223036754
Energy: 1.8003615319607493
Energy: 1.8945190744467062
Energy: 1.6835384123957273
Energy: 1.6163976181886552
Energy: 1.6835384123964836
Energy: 1.6347186380050132
Energy: 1.5544515662451184
Energy: 1.5971137930122068
Energy: 1.5544515662436056
Energy: 1.8777903371038578
Energy: 1.885894517457781
Energy: 1.617890640210308
Energy: 1.8858945174562682
Energy: 1.8628110578743422
Energy: 1.6446412602351914
Energy: 1.6521872540598628
Energy: 1.6446412602351914
Energy: 1.5540347858120633
Energy: 1.552914614684196
Energy: 1.898077501717785
Energy: 1.5529146146834394
Energy: 2.1732006987975963
Energy: 1.6394984729753912
Energy: 1.617130448813814
Energy: 1.639498472974635
Energy: 1.6462947324344133
Energy: 1.894010881909635
Energy: 1.9002349692800398
Energy: 1.8940108819103916
Energy: 1.6380823972117482
Energy: 1.8931234509249375
Energy: 1.5525657768398438
Energy: 1.8931234509249375
Energy: 1.6194243226252318
Energy: 1.6815553057578074
Energy: 1.6139110539353418
Energy: 1.681555305758564
Energy: 1.6480330149984033
Energy: 1.8827472904422144
Energy: 2.157804714174632
Energy: 1.882747290441458
Energy: 1.8964176593116484
Energy: 1.819610461647084
Energy: 1.6139095602259876
Energy: 1.8196104616463278
Energy: 1.6416321410704489
Energy: 1.6837958479040507
Energy: 2.0201090484776607
Energy: 1.683795847902538
Energy: 1.8803250902254978
Energy: 1.9322680256765234
Energy: 1.5765609678066204
Energy: 1.9322680256765234
Energy: 1.62111838817311
Energy: 1.8074324101665975
Energy: 1.8591283273495616
Energy: 1.8074324101628152
Energy: 1.6467739441458236
Energy: 1.8882371591784135
Energy: 1.9064713026035607
Energy: 1.8882371591784135
Energy: 1.7513373042025815
Energy: 1.8062441150264144
Energy: 1.6211902114603807
Energy: 1.8062441150271709
Energy: 1.6491204930148062
Energy: 1.639667727242319
Energy: 1.8721282209643793
Energy: 1.639667727242319
Energy: 1.9304155056461676
Energy: 1.6803006580240674
Energy: 1.5575693057135924
Energy: 1.6803006580278497
Energy: 1.6126840650565386
Energy: 1.6990661777814557
Energy: 1.7701628752040421
Energy: 1.6990661777799427
Energy: 1.8912941103728602
Energy: 1.884109738741717
Energy: 1.8931024629017996
Energy: 1.8841097387439865
Energy: 1.765421414230021
Energy: 1.7813738318633745
Energy: 1.6174241693956217
Energy: 1.7813738318633745
Energy: 1.5534332943180316
Energy: 1.768722718245706
Energy: 1.6533037131659303
Energy: 1.7687227182449494
Energy: 2.1674465074356695
Energy: 1.722884935650419
Energy: 1.644388380454554
Energy: 1.7228849356511753
Energy: 1.6170848350305382
Energy: 1.842040871374203
Energy: 2.100031853499378
Energy: 1.842040871374203
Energy: 1.7950642063071764
Energy: 1.5536188345448343
Energy: 1.6363634194939758
Energy: 1.5536188345448343
Energy: 1.852820593903649
Energy: 1.8077293299797905
Energy: 1.8780529370237469
Energy: 1.8077293299797905
Energy: 1.5708862872355265
Energy: 1.8877066469492243
Energy: 1.879562246198413
Energy: 1.8877066469477113
Energy: 1.7308612562132801
Energy: 1.553319031832068
Energy: 1.6338622730615244
Energy: 1.5533190318328245
Energy: 1.6161301623157427
Energy: 1.847449742393155
Energy: 2.101326965994045
Energy: 1.8474497423939114
Energy: 2.0440658583210896
Energy: 1.7215752289738475
Energy: 1.6424299878218425
Energy: 1.7215752289730912
Energy: 1.5565986175676283
Energy: 1.642459759843538
Energy: 1.634995456695798
Energy: 1.6424597598442947
Energy: 1.6085360740528802
Energy: 1.7770861574172312
Energy: 1.642856305617029
Energy: 1.7770861574179877
Energy: 1.8927728123254057
Energy: 1.8824482316880649
Energy: 1.8929472773248353
Energy: 1.882448231686552
Energy: 1.655863912499841
Energy: 1.8643112609618653
Energy: 2.1776473871556234
Energy: 1.8643112609626216

minimum gb energy = 1.5525657768398438 eV
minimum distance =  2.23476992136236 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.5533099044052796
Energy: 1.5529617646654144
Energy: 2.0796789090484626
Energy: 1.5529617646654144
Energy: 1.653161332492317
Energy: 1.7034692541345
Energy: 1.55333749874781
Energy: 1.7034692541345
Energy: 1.554076011008495
Energy: 1.5995059939059457
Energy: 1.5735762801225834
Energy: 1.5995059939059457
Energy: 1.6426466754914588
Energy: 1.7033172210245293
Energy: 1.552930112724243
Energy: 1.7033172210245293
Energy: 1.642426634433308
Energy: 1.6761119392877093
Energy: 1.598084344789808
Energy: 1.6761119392877093
Energy: 1.6758082394976954
Energy: 1.601479561434348
Energy: 2.13986193380897
Energy: 1.6014795614355481
Energy: 2.194542596868715
Energy: 1.942640069987446
Energy: 1.6534475666921908
Energy: 1.942640069987446
Energy: 1.690738942587008
Energy: 1.5528600504314367
Energy: 2.091615146641466
Energy: 1.5528600504314367
Energy: 2.104919355640643
Energy: 1.5540697351730306
Energy: 1.553197871375304
Energy: 1.5540697351730306
Energy: 1.6517203074173292
Energy: 1.731322734384227
Energy: 1.5527409469099527
Energy: 1.731322734384227
Energy: 1.6438252235536255
Energy: 1.5536863048714267
Energy: 2.0751220768690497
Energy: 1.5536863048702263
Energy: 1.7853008871050684
Energy: 1.7015035691928975
Energy: 1.642430257386504
Energy: 1.7015035691928975
Energy: 1.5535630159012805
Energy: 1.6759801582208542
Energy: 1.8042626987827761
Energy: 1.6759801582208542
Energy: 2.1728896893610297
Energy: 1.6774269775230255
Energy: 1.674616984875718
Energy: 1.6774269775242256
Energy: 1.6445609754567996
Energy: 1.662033168828483
Energy: 1.8618100900103889
Energy: 1.662033168828483
Energy: 2.094705916778639
Energy: 1.553667923128785
Energy: 1.6904817214048702
Energy: 1.553667923128785
Energy: 1.552404387766056
Energy: 1.553857744875493
Energy: 1.652462065154933
Energy: 1.553857744874293
Energy: 1.5543535629080196
Energy: 1.5543648067221416
Energy: 1.670574777906681
Energy: 1.5543648067233418
Energy: 1.7936674372724393
Energy: 1.552914411025122
Energy: 1.685782864162721
Energy: 1.552914411025122
Energy: 1.6523725451785298
Energy: 1.6905682494375247
Energy: 2.1857322190250867
Energy: 1.6905682494375247
Energy: 2.1712130060298076
Energy: 1.6155159054515602
Energy: 1.704829381388882
Energy: 1.6155159054515602
Energy: 1.5532121160882382
Energy: 1.6729388061947925
Energy: 1.8050258625945073
Energy: 1.6729388061935924

minimum gb energy = 1.552404387766056 eV
minimum distance =  2.24697833038693 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.5805097749888097
Energy: 1.5816074620573144
Energy: 2.2033164470602853
Energy: 1.581607462055617
Energy: 2.0324887588137956
Energy: 1.729847241482159
Energy: 1.61050756172138
Energy: 1.7298472414847053
Energy: 1.6327209589597589
Energy: 1.8229978776382676
Energy: 1.5900290551767546
Energy: 1.822997877637419
Energy: 1.5885157434171393
Energy: 1.6874641284367864
Energy: 1.6104981917556582
Energy: 1.6874641284401812
Energy: 1.6290458998359048
Energy: 1.685205652740857
Energy: 1.5758279708122527
Energy: 1.685205652738311
Energy: 1.6284337073929145
Energy: 1.5805356128915071
Energy: 2.048150570046581
Energy: 1.5805356128906585
Energy: 1.753719296053463
Energy: 1.8313530747117246
Energy: 1.590880914530657
Energy: 1.8313530747159679
Energy: 1.6289191608251106
Energy: 1.5810632398930713
Energy: 2.1286685650264667
Energy: 1.5810632398930713
Energy: 1.7790646391245357
Energy: 1.671978093054542
Energy: 1.6368493017269337
Energy: 1.6719780930553905
Energy: 1.6085236189430066
Energy: 1.6882371170475725
Energy: 1.7499722503431334
Energy: 1.6882371170442163
Energy: 1.5865160197595938
Energy: 1.822891095716828
Energy: 1.5752306997132612
Energy: 1.8228910957176765
Energy: 1.5817849902966137
Energy: 1.6846019020955152
Energy: 1.5755543507655212
Energy: 1.6846019020955152
Energy: 1.5810568249176469
Energy: 1.5838280568588852
Energy: 1.5742701803478742
Energy: 1.5838280568605825
Energy: 1.5902639062627697
Energy: 1.5747548811641998
Energy: 1.6380954973218305
Energy: 1.5747548811633512
Energy: 1.609383533951167
Energy: 1.8831382937628296
Energy: 1.8062657820813703
Energy: 1.8831382937628296
Energy: 2.205346611937897
Energy: 1.5726302981205829
Energy: 1.6532545957708915
Energy: 1.5726302981188856
Energy: 1.6085726429304428
Energy: 1.685507435342445
Energy: 1.7818119496177551
Energy: 1.6855074353407475
Energy: 1.5986912085121
Energy: 1.863522582594452
Energy: 1.6379936230861236
Energy: 1.8635225825969979
Energy: 1.6084430081748475
Energy: 1.8232522216617852
Energy: 1.6398753858748032
Energy: 1.8232522216626337
Energy: 1.6095684687520688
Energy: 1.6867879021162593
Energy: 1.57385960381012
Energy: 1.6867879021162593
Energy: 1.5866711463498264
Energy: 1.8205920139904461
Energy: 1.6379703873146443
Energy: 1.8205920139904461
Energy: 1.6281037411304822
Energy: 1.8192233784173524
Energy: 1.7407471382314632
Energy: 1.8192233784173524
Energy: 2.0447152506767203
Energy: 1.6745821003064347
Energy: 1.5928360871029146
Energy: 1.6745821003064347
Energy: 1.5868514660234294
Energy: 1.5811221530479398
Energy: 2.0704947300769754
Energy: 1.581122153045394
Energy: 1.6099922788971126
Energy: 1.6875738505738922
Energy: 1.5948016904271052
Energy: 1.6875738505738922
Energy: 1.5863026986737234
Energy: 1.8195559874050546
Energy: 1.5750087230812866
Energy: 1.8195559874033576
Energy: 1.6297662707370755
Energy: 1.6891614657065708
Energy: 1.5960566275847905
Energy: 1.6891614657065708
Energy: 1.6644692406992934
Energy: 1.684604324735726
Energy: 1.6106766241049564
Energy: 1.684604324736575
Energy: 1.6419498566927697
Energy: 1.581872990461467
Energy: 1.7840565101922794
Energy: 1.581872990461467
Energy: 1.5851205902648584
Energy: 1.633657170814783
Energy: 1.6087586704742611
Energy: 1.6336571708156316
Energy: 1.6419533416486625
Energy: 1.5814048237784113
Energy: 2.0166330468385265
Energy: 1.58140482377926

minimum gb energy = 1.5726302981188856 eV
minimum distance =  2.23170672435 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.4820455146361247
Energy: 1.4745961843435562
Energy: 1.9009534148156182
Energy: 1.4745961843441147
Energy: 1.4244568494345022
Energy: 1.4831907268494295
Energy: 1.4798561465335862
Energy: 1.4831907268500208
Energy: 1.4247658356938446
Energy: 1.5505825117524759
Energy: 1.7328837514657613
Energy: 1.5505825117524759
Energy: 1.4800354786069059
Energy: 1.4248205036235515
Energy: 1.4801190512282991
Energy: 1.4248205036226647
Energy: 1.4824362073484039
Energy: 1.5228954302051472
Energy: 1.57412639357029
Energy: 1.522895430205443
Energy: 1.4752429803522653
Energy: 1.5515252354515128
Energy: 1.4752718370846447
Energy: 1.5515252354518085
Energy: 1.5996590794741001
Energy: 1.5230355890912426
Energy: 1.4824260841156571
Energy: 1.5230355890912426
Energy: 1.480174186368759
Energy: 1.4246864039077705
Energy: 1.4797281132814948
Energy: 1.4246864039083615
Energy: 1.732852994351193
Energy: 1.5505729272986482
Energy: 1.6550967551602875
Energy: 1.5505729272989437

minimum gb energy = 1.4244568494345022 eV
minimum distance =  2.29297321366494 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.489480945951188
Energy: 1.494518220378142
Energy: 1.8695178282313885
Energy: 1.4945182203789436
Energy: 1.7291029558860689
Energy: 1.5812914279356978
Energy: 1.5070714258761346
Energy: 1.5812914279364996
Energy: 1.461747174278907
Energy: 1.488202736409518
Energy: 1.7640228345310167
Energy: 1.488202736409518
Energy: 1.5098550127481543
Energy: 1.5704088625604957
Energy: 1.46708005035174
Energy: 1.5704088625612975
Energy: 1.4869131738033943
Energy: 1.576566530379183
Energy: 1.723753617162763
Energy: 1.5765665303775795
Energy: 1.5861321118132792
Energy: 1.4963748642728785
Energy: 1.4608201574004729
Energy: 1.4963748642736803
Energy: 1.4632242891550806
Energy: 1.5739898741188723
Energy: 1.4511652650226774
Energy: 1.5739898741196738
Energy: 1.4572205669198919
Energy: 1.497022882397267
Energy: 1.469628379222387
Energy: 1.497022882397267
Energy: 1.4625095034444693
Energy: 1.574875497364178
Energy: 1.4765378169500352
Energy: 1.574875497364178
Energy: 1.4623570809949993
Energy: 1.5747588500960157
Energy: 1.5099317845521885
Energy: 1.5747588500960157
Energy: 1.562126072825399
Energy: 1.5714319947286326
Energy: 1.4643682404554286
Energy: 1.5714319947286326
Energy: 1.511826342508889
Energy: 1.4799988133031556
Energy: 1.4944095420907941
Energy: 1.4799988133023543
Energy: 1.6594309669663085
Energy: 1.4961047138230634
Energy: 1.5019808116009228
Energy: 1.4961047138238652
Energy: 1.4846982857449469
Energy: 1.4956373660539883
Energy: 1.4794483490297576
Energy: 1.49563736605479
Energy: 1.8304168873532523
Energy: 1.56897898462659
Energy: 1.46445389790351
Energy: 1.5689789846273916
Energy: 1.4649792240765918
Energy: 1.4882138508640024
Energy: 1.8425798029126783
Energy: 1.4882138508632006
Energy: 1.7109513018770954
Energy: 1.4812345663487492
Energy: 1.4880408119469228
Energy: 1.4812345663495512
Energy: 1.4699430001461953
Energy: 1.4953197529592752
Energy: 1.9904873789089284
Energy: 1.495319752960077
Energy: 1.5467329225890407
Energy: 1.5768655291596105
Energy: 1.4575973328619194
Energy: 1.576865529161214
Energy: 1.4822930959621137
Energy: 1.5908845934125855
Energy: 1.4735474983409615
Energy: 1.5908845934382383
Energy: 1.478559973024883
Energy: 1.568328579151845
Energy: 1.4625876223997867
Energy: 1.568328579151845
Energy: 1.5157332279135798
Energy: 1.5747616320512179
Energy: 1.4634004987647322
Energy: 1.5747616320512179
Energy: 1.5011725323374394
Energy: 1.4962790682232627
Energy: 1.5147472935398654
Energy: 1.4962790682232627
Energy: 1.4938745955100656
Energy: 1.5057884399281891
Energy: 1.508336872030153
Energy: 1.5057884399281891
Energy: 1.49359863480002
Energy: 1.488528433069945
Energy: 1.4689478559518863
Energy: 1.4885284330707467
Energy: 1.5222477756439579
Energy: 1.4947782858951986
Energy: 1.4894328050354866
Energy: 1.494778285894397
Energy: 1.4670351883738573
Energy: 1.4537246925007907
Energy: 1.5567930174755187
Energy: 1.4537246924999891
Energy: 1.867470257367383
Energy: 1.5815984607288456
Energy: 1.464695819291896
Energy: 1.581598460730449
Energy: 1.4765643375746942
Energy: 1.4692930508486124
Energy: 1.7695149536355088
Energy: 1.4692930508486124
Energy: 1.9988965731875297
Energy: 1.6396358706005447
Energy: 1.4698163318706736
Energy: 1.6396358706005447
Energy: 1.4590033891253857
Energy: 1.4735526717443743
Energy: 1.7413351404854691
Energy: 1.473552671745176
Energy: 1.7126993621293218
Energy: 1.5743874021519795
Energy: 1.4772260934583665
Energy: 1.574387402153583
Energy: 1.467922790124834
Energy: 1.805413574362253
Energy: 1.510388644018192
Energy: 1.8054135743614512

minimum gb energy = 1.4511652650226774 eV
minimum distance =  2.21786606154306 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.4416756772758437
Energy: 1.441634819740952
Energy: 2.0245967166958394
Energy: 1.441634819740952
Energy: 1.897309193792352
Energy: 1.4720912774622814
Energy: 1.4290160529307554
Energy: 1.4720912774622814
Energy: 1.4030741575620975
Energy: 1.4414403761620633
Energy: 1.711977067400016
Energy: 1.4414403761620633
Energy: 1.5194447675542861
Energy: 1.5443903085339337
Energy: 1.4085372040708277
Energy: 1.5443903085350417
Energy: 1.4288434525383658
Energy: 1.4413537388236677
Energy: 1.7561227750035215
Energy: 1.441353738821451
Energy: 1.4038133787683238
Energy: 1.4446109673157523
Energy: 1.4090122243151322
Energy: 1.4446109673146441
Energy: 1.4041807900818801
Energy: 1.5787150963774148
Energy: 1.4163756429474024
Energy: 1.5787150963796315
Energy: 1.4044024469735918
Energy: 1.4449133355761106
Energy: 1.471405839260396
Energy: 1.4449133355750021
Energy: 1.4412944027963002
Energy: 1.4438948109701015
Energy: 1.4718663917401886
Energy: 1.4438948109701015
Energy: 1.4412570812512147
Energy: 1.4436737841715785
Energy: 1.4564228533802868
Energy: 1.44367378417047
Energy: 1.3973383795948522
Energy: 1.4447972011595513
Energy: 1.4723374831218718
Energy: 1.444797201158443
Energy: 1.4042031445882663
Energy: 1.5786752076449728
Energy: 1.4146072543731176
Energy: 1.578675207646081
Energy: 1.40414833507439
Energy: 1.444687540845867
Energy: 1.408361190524359
Energy: 1.4446875408436501
Energy: 1.4288707941010643
Energy: 1.4413557375487431
Energy: 1.623229040806237
Energy: 1.441355737547635
Energy: 1.5196381053625887
Energy: 1.5443423243729049
Energy: 1.4081514067441574
Energy: 1.5443423243729049
Energy: 1.4032809041634093
Energy: 1.4414965453612805
Energy: 1.5897687288735216
Energy: 1.4414965453612805
Energy: 1.8971797903650083
Energy: 1.4722484684470767
Energy: 1.4291917083237333
Energy: 1.472248468445968
Energy: 1.4416756772758437
Energy: 1.441634819740952
Energy: 1.8430934483038404
Energy: 1.441634819740952
Energy: 1.897309193792352
Energy: 1.4720912774633896
Energy: 1.4290160529307554
Energy: 1.4720912774622814
Energy: 1.4030741575632062
Energy: 1.441440376163172
Energy: 2.011043809768153
Energy: 1.4414403761620633
Energy: 1.5194447675542861
Energy: 1.5443903085361503
Energy: 1.4085372040708277
Energy: 1.5443903085283914
Energy: 1.4288434525383658
Energy: 1.4413537388203426
Energy: 1.7331641194172633
Energy: 1.4413537388203426
Energy: 1.4038133787683238
Energy: 1.444610967316861
Energy: 1.4090122243151322
Energy: 1.4446109673146441
Energy: 1.4041807900818801
Energy: 1.5787150963774148
Energy: 1.4163756429462937
Energy: 1.578715096378523

minimum gb energy = 1.3973383795948522 eV
minimum distance =  2.24020445949779 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.4340117721799799
Energy: 1.4348535423655537
Energy: 1.832756435876069
Energy: 1.4348535423628133
Energy: 1.6315703202850644
Energy: 1.423116340817727
Energy: 1.407374798626776
Energy: 1.423116340817727
Energy: 1.404058709291034
Energy: 1.4195413708382
Energy: 1.756942143085031
Energy: 1.4195413708382
Energy: 1.569395560351913
Energy: 1.6964514073705759
Energy: 1.4016987808978656
Energy: 1.6964514073705759
Energy: 1.4052150483163603
Energy: 1.4348457201330935
Energy: 1.8096484408599292
Energy: 1.4348457201351486
Energy: 1.4440324788431516
Energy: 1.910652998498834
Energy: 1.416988865371312
Energy: 1.910652998498834
Energy: 1.4343870341144007
Energy: 1.5046945648984038
Energy: 1.4192607225570333
Energy: 1.5046945648990888
Energy: 1.4300745669901942
Energy: 1.7154450714938754
Energy: 1.4014352397609116
Energy: 1.7154450714945604
Energy: 1.4349538614760786
Energy: 1.7155800712878422
Energy: 1.4753354212543015
Energy: 1.7155800712878422
Energy: 1.4200443700323486
Energy: 1.7146474212502403
Energy: 1.4165176912293176
Energy: 1.7146474212516103
Energy: 1.395990637855829
Energy: 1.6919112790085378
Energy: 1.4112934597054612
Energy: 1.6919112790092228
Energy: 1.3947286952527738
Energy: 1.4997799557674858
Energy: 1.3939425575653583
Energy: 1.4997799557681708
Energy: 1.4381517813100888
Energy: 1.707300499626398
Energy: 1.4057116356860642
Energy: 1.7073004996291385
Energy: 1.435124450024935
Energy: 1.5237961546020882
Energy: 1.4332618207659429
Energy: 1.523796154601403
Energy: 1.4270052787089265
Energy: 1.6995582732739716
Energy: 1.4466107406695052
Energy: 1.6995582732746568
Energy: 1.4108827026662631
Energy: 1.4206353068543458
Energy: 1.7773372389448518
Energy: 1.4206353068543458
Energy: 1.4698946905392325
Energy: 1.7003758050169848
Energy: 1.4056830981633386
Energy: 1.7003758050162994
Energy: 1.3955846640069844
Energy: 1.5657088262577026
Energy: 1.7039180725199885
Energy: 1.5657088262583876
Energy: 1.6304487886897718
Energy: 1.6959919464122317
Energy: 1.4068956605461311
Energy: 1.6959919464129167
Energy: 1.4108383967290172
Energy: 1.4197400210128175
Energy: 1.5739196396122321
Energy: 1.4197400210121325
Energy: 1.5066310584328853
Energy: 1.4130837012857027
Energy: 1.4316221346512354
Energy: 1.4130837012850177
Energy: 1.4321494006876652
Energy: 1.5668625540078187
Energy: 1.5093290273864863
Energy: 1.5668625540078187
Energy: 1.634446540986756
Energy: 1.7078301107963911
Energy: 1.4132053185762212
Energy: 1.7078301107970761
Energy: 1.4074150792606948
Energy: 1.4133087072445187
Energy: 1.6317943400506092
Energy: 1.4133087072431483
Energy: 1.4994986240805852
Energy: 1.5652323160818773
Energy: 1.3980573614093195
Energy: 1.5652323160818773
Energy: 1.4088286392211988
Energy: 1.5256931344309939
Energy: 1.472297233209167
Energy: 1.5256931344309939
Energy: 1.620260890930832
Energy: 1.4892330406730383
Energy: 1.4136455727183606
Energy: 1.489233040672353
Energy: 1.4448630996335599
Energy: 1.6991931172428199
Energy: 1.4269139051654762
Energy: 1.699193117242135
Energy: 1.433060601683916
Energy: 1.5230383256216924
Energy: 1.4291238144428762
Energy: 1.5230383256223774
Energy: 1.405624123787579
Energy: 1.7053448132808493
Energy: 1.49359866284188
Energy: 1.705344813280164
Energy: 1.393651122243723
Energy: 1.5228247228687974
Energy: 1.3949567245294077
Energy: 1.5228247228674272
Energy: 1.409168070590588
Energy: 1.6951245133877597
Energy: 1.4050747296180428
Energy: 1.6951245133884447
Energy: 1.4137743798257567
Energy: 1.4959446272405865
Energy: 1.6322188329978786
Energy: 1.4959446272399015
Energy: 1.4848762693326059
Energy: 1.720291048336402
Energy: 1.42004799621314
Energy: 1.720291048335032
Energy: 1.3990931415177699
Energy: 1.4357751614445093
Energy: 1.4707032686671786
Energy: 1.4357751614438246
Energy: 1.4190710870622587
Energy: 1.507488544096413
Energy: 1.4324459375102496
Energy: 1.5074885440970984
Energy: 1.4131551083381355
Energy: 1.9083952145490686
Energy: 1.4295738971531906
Energy: 1.9083952145497538
Energy: 1.8057855694490468
Energy: 1.526291749871335
Energy: 1.4109365746878193
Energy: 1.52629174987065

minimum gb energy = 1.393651122243723 eV
minimum distance =  2.23561621587321 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.2778433463005912
Energy: 1.2779944895524773
Energy: 1.8045648260680116
Energy: 1.2779944895524773
Energy: 1.2783254373069106
Energy: 1.3159074676803302
Energy: 1.3008953828836642
Energy: 1.3159074676803302
Energy: 1.2971842095192296
Energy: 1.3763772872503037
Energy: 2.2069597351416843
Energy: 1.3763772872503037
Energy: 1.321735689476548
Energy: 1.316298860298897
Energy: 1.3005002052986647
Energy: 1.3162988602971044
Energy: 1.296711114154713
Energy: 1.4101497063398842
Energy: 1.7775814344657201
Energy: 1.4101497063398842
Energy: 1.2968132163893384
Energy: 1.2787739581043691
Energy: 1.2774780456568964
Energy: 1.2787739581043691
Energy: 1.2974163420293348
Energy: 1.5096316667491296
Energy: 1.2779434155400127
Energy: 1.5096316667491296
Energy: 1.31870756217756
Energy: 1.5090227066507258
Energy: 1.3010873947014818
Energy: 1.5090227066525184
Energy: 1.2968072628466203
Energy: 1.4098453413676428
Energy: 1.3302960664381198
Energy: 1.4098453413676428
Energy: 1.315387053474535
Energy: 1.2789547877470426
Energy: 1.2966706172563445
Energy: 1.2789547877434575
Energy: 1.277632828217378
Energy: 1.3167820908710741
Energy: 1.2966617072429527
Energy: 1.3167820908710741
Energy: 1.2777523387706793
Energy: 1.5105596104201806
Energy: 1.3006862290464427
Energy: 1.510559610421973
Energy: 1.2966786406598196
Energy: 1.280094697625153
Energy: 1.3225503399868763
Energy: 1.2800946976233605
Energy: 1.2968711299631779
Energy: 1.4089773941268438
Energy: 1.296852764621834
Energy: 1.4089773941268438
Energy: 1.334270582754937
Energy: 1.280063749165621
Energy: 1.2966784644415565
Energy: 1.280063749165621

minimum gb energy = 1.2774780456568964 eV
minimum distance =  2.25569735270605 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.2847537948296213
Energy: 1.251537510743465
Energy: 1.7208674012972793
Energy: 1.2515375107427134
Energy: 1.491634499352708
Energy: 1.645727987809059
Energy: 1.2444504628545994
Energy: 1.645727987806805
Energy: 1.2528991728551613
Energy: 1.4368374244975475
Energy: 1.4999389275952135
Energy: 1.4368374246739732
Energy: 1.2456519552003473
Energy: 1.466734149940172
Energy: 1.2423684649641407
Energy: 1.4667341499326587
Energy: 1.259541340143461
Energy: 1.5286520837727595
Energy: 1.3288509649592044
Energy: 1.5286520837727595
Energy: 1.2436005393086724
Energy: 1.284558384455553
Energy: 1.2586904281628142
Energy: 1.284558384457807
Energy: 1.2596312368257332
Energy: 1.4508864733512123
Energy: 1.617495293916302
Energy: 1.4508864733519637
Energy: 1.2483027072697253
Energy: 1.4680778811929047
Energy: 1.2588284528454083
Energy: 1.4680778811944073
Energy: 1.2609181318416158
Energy: 1.3489919125564707
Energy: 1.5708220570649032
Energy: 1.3489919125609788
Energy: 1.4801605008344128
Energy: 1.5490950978269535
Energy: 1.2424297830468032
Energy: 1.5490950978269535
Energy: 1.2604135558316898
Energy: 1.3708685604377209
Energy: 1.2401277303400908
Energy: 1.370868560435467
Energy: 1.6122168150836134
Energy: 1.5487895788191584
Energy: 1.2504758905492668
Energy: 1.5487895788184072
Energy: 1.2938784667787813
Energy: 1.2663874052080468
Energy: 1.2583953610882976
Energy: 1.2663874052072952
Energy: 1.6246805069059362
Energy: 1.3707888279675038
Energy: 1.250476734533377
Energy: 1.3707888279690064
Energy: 1.2604160359475056
Energy: 1.2495437429950706
Energy: 1.2879476527267288
Energy: 1.2495437429958223
Energy: 1.2412326343061906
Energy: 1.3707922247787068
Energy: 1.2394632613094934
Energy: 1.3707922247734476
Energy: 1.2568482433826376
Energy: 1.336489548708927
Energy: 1.2389056325843955
Energy: 1.336489548708927
Energy: 1.2800774182445513
Energy: 1.3455852962324775
Energy: 1.2542167099046297
Energy: 1.3455852962309747
Energy: 1.2571900713954798
Energy: 1.2678869042935355
Energy: 1.2543774379645096
Energy: 1.267886904297292
Energy: 1.256797191331806
Energy: 1.2680096908380638
Energy: 1.2543558125557979
Energy: 1.2680096908373122
Energy: 1.2805020583307636
Energy: 1.3454780420778512
Energy: 1.2544274877764026
Energy: 1.3454780420740946
Energy: 1.2567083413061004
Energy: 1.3364931547990144
Energy: 1.2389479273618382
Energy: 1.3364931548035226
Energy: 1.2410793465974466
Energy: 1.3705962766587794
Energy: 1.2393058857927035
Energy: 1.3705962766572768
Energy: 1.2603786638496342
Energy: 1.2492186351059114
Energy: 1.244811429359999
Energy: 1.2492186351051604
Energy: 1.6248904950401006
Energy: 1.599473340493882
Energy: 1.251359504289126
Energy: 1.599473340493882
Energy: 1.2944733277103373
Energy: 1.2664919419896765
Energy: 1.2453105298411604
Energy: 1.2664919419911795
Energy: 1.6119109679963917
Energy: 1.548929953547583
Energy: 1.250969365009148
Energy: 1.548929953547583
Energy: 1.2597631282075408
Energy: 1.3710080349565352
Energy: 1.2405395609526282
Energy: 1.371008034955784
Energy: 1.4800938247220912
Energy: 1.5485789055248775
Energy: 1.242104028762368
Energy: 1.548578905523375
Energy: 1.2599293374609248
Energy: 1.3490409808065205
Energy: 1.4345224263202891
Energy: 1.3490409815807982
Energy: 1.247803066304523
Energy: 1.4669666085419673
Energy: 1.2587945336505717
Energy: 1.4669666085427187
Energy: 1.259849955337927
Energy: 1.4508042528737073
Energy: 1.6675270682421623
Energy: 1.45080425287521
Energy: 1.2439963160911118
Energy: 1.2823029806064346
Energy: 1.2587781874057722
Energy: 1.282302980607186
Energy: 1.259885557489694
Energy: 1.5285942389127314
Energy: 1.6375064353088304
Energy: 1.5285942389097262
Energy: 1.245979239461822
Energy: 1.4675048032828444
Energy: 1.2423707071476047
Energy: 1.4675048032835958

minimum gb energy = 1.2389056325843955 eV
minimum distance =  2.23421033317769 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.1859893169773361
Energy: 1.1853696229026989
Energy: 1.412078260576242
Energy: 1.1853696229026989
Energy: 1.2801576716909011
Energy: 1.59307708291837
Energy: 1.145147367212898
Energy: 1.59307708291837
Energy: 1.1541507792873187
Energy: 1.629714966088258
Energy: 2.0277657352706804
Energy: 1.629714966088258
Energy: 1.1334406294241919
Energy: 1.4915635391790625
Energy: 1.145133438752649
Energy: 1.4915635391790625
Energy: 1.142804372501157
Energy: 1.1847897812046646
Energy: 1.1343253146670047
Energy: 1.1847897812046646
Energy: 1.1591733924894871
Energy: 1.5928413847060034
Energy: 1.1364496659488392
Energy: 1.5928413847060034
Energy: 1.1751514881264646
Energy: 1.9931412933020172
Energy: 1.4676881687222434
Energy: 1.9931412933020172
Energy: 1.1427962315579165
Energy: 1.1859328008989876
Energy: 1.185953856434752
Energy: 1.1859328008989876
Energy: 1.1430158695276185
Energy: 1.5925829913611027
Energy: 1.4664327866569258
Energy: 1.5925829913611027
Energy: 1.567710833976003
Energy: 1.6307959121221702
Energy: 1.1353695432851962
Energy: 1.6307959121221702
Energy: 1.1750817682421688
Energy: 1.985060170372354
Energy: 1.1331039187347782
Energy: 1.985060170372354
Energy: 1.5295443952994752
Energy: 1.185294585914536
Energy: 1.1450478158500477
Energy: 1.185294585914536
Energy: 1.1324698830185485
Energy: 1.5926560258335984
Energy: 1.1609191369146388
Energy: 1.5926560258335984
Energy: 1.4674425052906144
Energy: 1.9337308227423855
Energy: 1.1426722971117147
Energy: 1.9337308227423855
Energy: 1.1852198118993036
Energy: 1.242213317101369
Energy: 1.1427451579093837
Energy: 1.242213317101369
Energy: 1.1854205353202663
Energy: 1.5930679266267216
Energy: 1.1451904740542815
Energy: 1.5930679266267216
Energy: 1.1324925537285606
Energy: 1.3303740039067535
Energy: 1.159362994810611
Energy: 1.3303740039067535
Energy: 1.1326633060754896
Energy: 1.9867154451138118
Energy: 1.142710877779742
Energy: 1.9867154451138118
Energy: 1.142629499957692
Energy: 1.186623366567697
Energy: 1.142863761402118
Energy: 1.186623366567697
Energy: 1.1428880612083363
Energy: 1.593350781897756
Energy: 1.132543792636728
Energy: 1.593350781897756

minimum gb energy = 1.1324698830185485 eV
minimum distance =  2.23093575743892 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.1031728497769149
Energy: 1.0477940696021917
Energy: 1.2031631199378943
Energy: 1.0477940696011823
Energy: 1.377975094700507
Energy: 1.2987615533195553
Energy: 1.0475520292897529
Energy: 1.2987615533205648
Energy: 1.0415967327681068
Energy: 1.041607112454146
Energy: 1.8498501048814235
Energy: 1.0416071124531365
Energy: 1.1244573152646198
Energy: 1.53689507103599
Energy: 1.0519655933988727
Energy: 1.53689507103599
Energy: 1.0500051753860187
Energy: 1.2989046534377902
Energy: 1.0203915050769177
Energy: 1.2989046534387994
Energy: 1.0182316319188611
Energy: 1.2987295769601321
Energy: 1.047527359438226
Energy: 1.2987295769601321
Energy: 1.0506213577303407
Energy: 1.0440393107173989
Energy: 1.1262900451833602
Energy: 1.0440393107173989
Energy: 1.0218166529757815
Energy: 1.3308704084518344
Energy: 1.0438820656236143
Energy: 1.3308704084528435
Energy: 1.0470986608935617
Energy: 1.3017955465402067
Energy: 1.5010837465252522
Energy: 1.3017955482977621
Energy: 1.024113945639881
Energy: 1.280486578599646
Energy: 1.1055044884813436
Energy: 1.280486578599646
Energy: 1.0505307272889464
Energy: 1.0440991345256136
Energy: 1.5347989197565866
Energy: 1.0440991345256136
Energy: 1.3596902249999425
Energy: 1.599689079486496
Energy: 1.0438889827362607
Energy: 1.599689079486496
Energy: 1.0503804502597538
Energy: 1.0684935723099769
Energy: 1.2801168013799265
Energy: 1.0684935723109863
Energy: 1.3399772505304444
Energy: 1.3913524364473162
Energy: 1.047804748799943
Energy: 1.391352436446307
Energy: 1.0506457108850475
Energy: 1.0439196956499475
Energy: 1.0176220965958407
Energy: 1.0439196956499475
Energy: 1.316648911829021
Energy: 1.7076516800495283
Energy: 1.0486513260730073
Energy: 1.707651680050538
Energy: 1.0468347456077705
Energy: 1.3314468076725263
Energy: 1.0221473401131969
Energy: 1.3314468076725263
Energy: 1.2988596309034182
Energy: 1.3011066140996796
Energy: 1.0479266948358812
Energy: 1.3011066141006888
Energy: 1.1026869481630088
Energy: 1.0420821365945017
Energy: 1.0240258207773236
Energy: 1.0420821365945017
Energy: 1.5224881716161769
Energy: 1.7070789032135942
Energy: 1.0489426561939221
Energy: 1.7070789032135942
Energy: 1.0467805526041607
Energy: 1.7059477925145996
Energy: 1.0394205163979864
Energy: 1.7059477925145996
Energy: 1.041615442804218
Energy: 1.0689041567728512
Energy: 1.0479166998524967
Energy: 1.0689041567748698
Energy: 1.0502441697199603
Energy: 1.425687876295497
Energy: 1.340408244400142
Energy: 1.4256878762965066
Energy: 1.0178241697740598
Energy: 1.709506240399451
Energy: 1.0487789514430363
Energy: 1.709506240399451
Energy: 1.0480936738596698
Energy: 1.706168134212462
Energy: 1.3161491825125102
Energy: 1.706168134212462
Energy: 1.0229149748612008
Energy: 1.3311184979818915
Energy: 1.0413149434217388
Energy: 1.3311184979829012

minimum gb energy = 1.0176220965958407 eV
minimum distance =  2.23807037566078 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.4726223622516046
Energy: 1.2789183369984025
Energy: 0.9523641857128862
Energy: 1.2789183369967474
Energy: 1.5167203564879426
Energy: 1.145120257655082
Energy: 0.9446016733991666
Energy: 1.1451202576542547
Energy: 1.07667854406608
Energy: 0.9534812823165262
Energy: 1.2011099856938368
Energy: 0.9534812823090786
Energy: 1.3125647139933498
Energy: 1.25547761428688
Energy: 0.946703054118952
Energy: 1.25547761428688
Energy: 1.0411371487532546
Energy: 1.3698503874009087
Energy: 1.1170829900117878
Energy: 1.3698503874009087
Energy: 1.1123137411561588
Energy: 1.1421946767460174
Energy: 0.9547641428820655
Energy: 1.1421946767451896
Energy: 0.9524864779389124
Energy: 1.1457022156910444
Energy: 1.112944020574886
Energy: 1.145702215698492
Energy: 1.0279277568845788
Energy: 1.2597862823256725
Energy: 1.0423509216387237
Energy: 1.2597862823240173
Energy: 0.947878723401086
Energy: 1.5299220949227108
Energy: 1.4186989704286612
Energy: 1.5299220949235381
Energy: 0.9381406186398975
Energy: 1.0604054013269666
Energy: 1.0780249970410833
Energy: 1.0604054013286215
Energy: 0.9432623148506095
Energy: 1.2474576328202007
Energy: 1.6623685532968835
Energy: 1.2474576328226834
Energy: 0.9307781629207046
Energy: 1.3514806217516504
Energy: 1.3511811972351204
Energy: 1.3514806217516504
Energy: 0.9480467250381708
Energy: 1.523679315815678
Energy: 1.5376061018479052
Energy: 1.5236793158165054
Energy: 1.20125785495554
Energy: 1.3559584920666508
Energy: 1.0782249299740752
Energy: 1.3559584920683059
Energy: 0.9477269270765015
Energy: 1.2553280281443526
Energy: 1.4607511642661073
Energy: 1.2553280281451802
Energy: 1.1984520060712935
Energy: 1.3872961966309834
Energy: 1.0425395587211927
Energy: 1.3872961966293285
Energy: 0.9589687588776166
Energy: 1.5255537985758023
Energy: 1.351089736869572
Energy: 1.5255537985758023
Energy: 1.2903572755482589
Energy: 1.3567017795534997
Energy: 0.9549179628261453
Energy: 1.356701779551017
Energy: 1.0463665680862435
Energy: 1.2601162553392282
Energy: 1.0278115792651448
Energy: 1.2601162553417107
Energy: 1.2821052201275736
Energy: 1.3567755859862625
Energy: 0.9477486549292292
Energy: 1.3567755859862625
Energy: 1.081876748550511
Energy: 1.433420068464427
Energy: 0.9386088247078088
Energy: 1.433420068462772
Energy: 1.6581153202672119
Energy: 1.7147892704787937
Energy: 0.9445767081376376
Energy: 1.7147892704812764
Energy: 1.4779880981594284
Energy: 1.3843521237907814
Energy: 0.9308692426382598
Energy: 1.3843521237907814
Energy: 1.48332088256727
Energy: 1.5249083641151524
Energy: 0.9478629210586608
Energy: 1.524908364114325
Energy: 1.0818434900860938
Energy: 1.336347158285928
Energy: 0.940186020195727
Energy: 1.336347158287583
Energy: 1.4615624700445393
Energy: 1.4711946059066683
Energy: 0.9518182089379116
Energy: 1.4711946059066683
Energy: 1.0464502500185149
Energy: 1.5274307855631153
Energy: 1.1981390832444108
Energy: 1.5274307855622877
Energy: 1.041812630535205
Energy: 1.5243108345175416
Energy: 0.959159776659617
Energy: 1.5243108345167142
Energy: 0.9553816990683104
Energy: 1.336398068542853
Energy: 1.2900772374061737
Energy: 1.336398068541198
Energy: 1.0276895183367962
Energy: 1.5673519518210992
Energy: 1.0512869289394495
Energy: 1.567351951821927
Energy: 0.9434744568141537
Energy: 1.355560913706184
Energy: 1.2822177484953448
Energy: 1.3555609137078388
Energy: 0.934679638809381
Energy: 1.4316850426657983
Energy: 1.0849125790127871
Energy: 1.4316850426649705

minimum gb energy = 0.9307781629207046 eV
minimum distance =  2.2326526619198 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.2271379151393071
Energy: 1.508343090460446
Energy: 1.4060318143062096
Energy: 1.508343090460446
Energy: 1.5610448656169833
Energy: 1.3635987200715483
Energy: 0.884043770425952
Energy: 1.3635987200694455
Energy: 0.9136875713943344
Energy: 1.2060959924992485
Energy: 1.616687622029159
Energy: 1.2060959924971453
Energy: 1.3748900901482004
Energy: 1.3689085362556657
Energy: 0.8838792605774011
Energy: 1.3689085362556657
Energy: 0.879808863649078
Energy: 1.5154113688576534
Energy: 0.8619330098823503
Energy: 1.5154113688569522
Energy: 1.0936424470417656
Energy: 1.3649050850830875
Energy: 0.8840209772233275
Energy: 1.3649050850837885
Energy: 0.8830516603040875
Energy: 1.2163289628366925
Energy: 0.9226211241215018
Energy: 1.2163289628359915
Energy: 0.9227487238513052
Energy: 1.2186595736029646
Energy: 0.8839755235157404
Energy: 1.2186595736036656
Energy: 0.8864136341105486
Energy: 1.525360726300175
Energy: 1.0932409565396586
Energy: 1.5253607263008757
Energy: 0.8534985508075473
Energy: 1.366179053173126
Energy: 0.8808284024398398
Energy: 1.366179053173827
Energy: 0.8832176378502582
Energy: 1.3631514361034085
Energy: 1.5277105622487732
Energy: 1.3631514361034085
Energy: 0.8565459765103295
Energy: 1.2061695399228114
Energy: 0.9146255700146829
Energy: 1.2061695398457621
Energy: 0.8862821342197652
Energy: 1.5195652427244015
Energy: 1.637740573591053
Energy: 1.5195652427251027
Energy: 0.8569290350579288
Energy: 1.5089237623348255
Energy: 1.2275640339189282
Energy: 1.5089237623334235
Energy: 0.88315557128163
Energy: 1.36335346094228
Energy: 1.5559507775934023
Energy: 1.363353460941579
Energy: 1.0858876763964311
Energy: 1.2056402256489627
Energy: 0.914542016641403
Energy: 1.205640225648262
Energy: 0.8863364148913175
Energy: 1.5193989049195924
Energy: 1.3792577358769949
Energy: 1.5193989049195924
Energy: 1.08174273260253
Energy: 1.514292918999595
Energy: 0.8807679669404653
Energy: 1.5142929190002958
Energy: 0.8832994296883805
Energy: 1.365141103587335
Energy: 1.2037804584808696
Energy: 1.365141103587335
Energy: 1.0774724207036717
Energy: 1.0500522411781212
Energy: 0.883926540665333
Energy: 1.0500522411781212
Energy: 0.886542840369128
Energy: 1.3924358143772466
Energy: 1.0335420134367796
Energy: 1.3924358143765458
Energy: 1.079929857717559
Energy: 1.3784700344573118
Energy: 0.890279464547988
Energy: 1.3784700344552088
Energy: 0.8832915133204935
Energy: 1.0461736095197065
Energy: 0.8537937633781324
Energy: 1.046173609527418
Energy: 1.4106587002658952
Energy: 1.0475734406412769
Energy: 0.8840792725139562
Energy: 1.0475734406419779
Energy: 0.9169242163909379
Energy: 1.3923828871435453
Energy: 0.857749423785165
Energy: 1.392382887142844
Energy: 1.3946799928345408
Energy: 1.5226468922812486
Energy: 0.8902727227345205
Energy: 1.5226468922812486
Energy: 1.2301177692663026
Energy: 1.5061304138429843
Energy: 0.8572495195825544
Energy: 1.5061304138415823
Energy: 1.551016070508711
Energy: 1.363571358799839
Energy: 0.8840723281909126
Energy: 1.363571358799839
Energy: 0.9168784298956193
Energy: 1.5472534641725195
Energy: 0.861463633062806
Energy: 1.5472534641725195
Energy: 1.2035963846963125
Energy: 1.5230074521609027
Energy: 0.8902472442494828
Energy: 1.523007452161604
Energy: 0.8832248642745937
Energy: 1.5087264998236949
Energy: 1.0815342686280878
Energy: 1.508726499824396
Energy: 1.1928067982823691
Energy: 1.3668522600816602
Energy: 0.884082598866916
Energy: 1.3668522600844641
Energy: 0.8863524087410934
Energy: 1.5393556733566127
Energy: 1.0771015555795067
Energy: 1.5393556733573137
Energy: 0.860396133844276
Energy: 1.393697036819496
Energy: 0.8901672595198431
Energy: 1.393697036820197
Energy: 0.8657634289316251
Energy: 1.5081279696716077
Energy: 1.0793824236631109
Energy: 1.5081279696709067
Energy: 0.8532235908925873
Energy: 1.0454104758576357
Energy: 0.8872134612652324
Energy: 1.045410475859038
Energy: 0.8866034978144913
Energy: 1.5393456345151226
Energy: 1.4099028017996902
Energy: 1.5393456345158238

minimum gb energy = 0.8532235908925873 eV
minimum distance =  2.26799719332748 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.1563727477342305
Energy: 1.4114211865935757
Energy: 0.7912416137169098
Energy: 1.4114211865935757
Energy: 1.6641366958340755
Energy: 1.269036419878714
Energy: 0.8112192192489807
Energy: 1.269036419878106
Energy: 1.1092073021450262
Energy: 1.110481985145745
Energy: 1.0683489814740688
Energy: 1.110481985145745
Energy: 1.383468226410019
Energy: 0.9799034551667716
Energy: 0.8108634127363625
Energy: 0.9799034551673794
Energy: 0.8502575242925988
Energy: 1.0777964347365527
Energy: 0.7708833433153274
Energy: 1.0777964347359446
Energy: 1.23004249500068
Energy: 0.9840270995144177
Energy: 0.8108904172794709
Energy: 0.9840270995180659
Energy: 0.8069470240883948
Energy: 1.1317352835115193
Energy: 0.8909567481334623
Energy: 1.1317352835121273
Energy: 1.0723793613250683
Energy: 1.268814555251862
Energy: 0.8109424604920213
Energy: 1.2688145552512538
Energy: 0.8101260251896701
Energy: 1.0922298736679292
Energy: 1.0378919396702615
Energy: 1.0922298736679292
Energy: 0.9282922424399948
Energy: 1.131720325660695
Energy: 0.8078434291326585
Energy: 1.1317203256600867
Energy: 0.8105981498861206
Energy: 0.983693324055587
Energy: 1.1843563340212142
Energy: 0.9836933240561949
Energy: 0.7715699054933043
Energy: 0.9805965213715792
Energy: 0.8511585026340533
Energy: 0.9805965213721872
Energy: 0.8104968237205469
Energy: 1.0926113992742534
Energy: 1.398179271696096
Energy: 1.0926113992736453
Energy: 0.774406976553043
Energy: 1.1100654481768961
Energy: 1.1102740937905282
Energy: 1.1100654481768961
Energy: 0.8105906866244325
Energy: 1.2686912935864803
Energy: 1.5201647328596852
Energy: 1.2686912935864803
Energy: 0.7734760074761692
Energy: 1.4118457180278132
Energy: 1.1572124519572047
Energy: 1.411845718027205
Energy: 0.810254604177678
Energy: 1.092716205472543
Energy: 1.5214010503663515
Energy: 1.092716205471935
Energy: 0.9776574032107682
Energy: 1.1100893484612695
Energy: 1.1102719254333733
Energy: 1.1100893484612695
Energy: 0.8106206068701635
Energy: 1.2685349132148813
Energy: 1.383143461177404
Energy: 1.2685349132154893
Energy: 0.9683042970229387
Energy: 1.4365178113440955
Energy: 0.8509793604780348
Energy: 1.4365178113440955
Energy: 0.8102045609034474
Energy: 1.0938852849652763
Energy: 1.2297327186990183
Energy: 1.0938852849658844
Energy: 0.9664202200177482
Energy: 1.1359281665314882
Energy: 0.8078801779149507
Energy: 1.1359281665314882
Energy: 0.8104247333884607
Energy: 1.2688838670255806
Energy: 1.0729935008092748
Energy: 1.2688838670249725
Energy: 0.9722471674252247
Energy: 1.0058899166445456
Energy: 0.8109251550195534
Energy: 1.0058899166585022
Energy: 0.8103545037677501
Energy: 0.9798841574632604
Energy: 0.9258316281534552
Energy: 0.9798841574632604
Energy: 1.2624609237325966
Energy: 1.110322554139407
Energy: 0.8118682668174314
Energy: 1.110322554139407
Energy: 0.8532902763234994
Energy: 0.9802611628737278
Energy: 0.7712421609848629
Energy: 0.9802611628749438
Energy: 1.257285015711807
Energy: 1.4325719929214937
Energy: 0.8102578653690621
Energy: 1.4325719929214937
Energy: 1.1125254534953373
Energy: 1.1105047200245617
Energy: 0.7791293093835018
Energy: 1.1105047200245617
Energy: 1.521230208305691
Energy: 1.2683967681843027
Energy: 0.8119172879672462
Energy: 1.2683967681836947
Energy: 1.1594112209110516
Energy: 1.412904590388834
Energy: 0.7738941934085309
Energy: 1.412904590388834
Energy: 1.4064226643219648
Energy: 1.4324928378364257
Energy: 0.8110888810004395
Energy: 1.4324928378364257
Energy: 1.1127799795092947
Energy: 1.1102258101724753
Energy: 0.7782110774300052
Energy: 1.1102258101730835
Energy: 1.3836180369196163
Energy: 1.2684791944403901
Energy: 0.8100666872272633
Energy: 1.2684791944403901
Energy: 0.8536287880476022
Energy: 1.4371960710912333
Energy: 0.9686615187579981
Energy: 1.4371960710912333
Energy: 1.078174664750696
Energy: 1.4256820379743802
Energy: 0.8111462419761981
Energy: 1.4256820379743802
Energy: 0.8105288015742507
Energy: 1.1098769438310747
Energy: 0.9658529843782867
Energy: 1.1098769438298588
Energy: 1.0644866843134078
Energy: 1.110150720725097
Energy: 0.8118190900859242
Energy: 1.110150720724489
Energy: 0.8104939230264969
Energy: 1.3992776299870557
Energy: 0.9723099216088893
Energy: 1.3992776299870557
Energy: 0.7801190488084738
Energy: 1.319460846284606
Energy: 0.807116742778639
Energy: 1.319460846284606
Energy: 0.8101793556347047
Energy: 1.1103881318531275
Energy: 1.2620952191760761
Energy: 1.1103881318531275
Energy: 0.770913587498353
Energy: 0.9798194945408433
Energy: 0.8502515207139302
Energy: 0.9798194945408433
Energy: 0.8106474172927368
Energy: 1.3995595137201233
Energy: 1.256896067846379
Energy: 1.3995595137201233

minimum gb energy = 0.7708833433153274 eV
minimum distance =  2.2567809863329 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020524471963896503
Energy: 0.021438364914812248
Energy: 2.5079996472651356
Energy: 0.02143836491527965
Energy: 1.2229141354293542
Energy: 0.4553882996325461
Energy: 0.4546891715916834
Energy: 0.4553882996321307
Energy: 0.020524471963896503
Energy: 0.021438364914812248
Energy: 1.2235891961042087
Energy: 0.02143836491527965
Energy: 1.2229141354293542
Energy: 0.4553882996321307
Energy: 0.4546891718872372
Energy: 0.45538829963119587
Energy: 0.020524471963896503
Energy: 0.021438364914812248
Energy: 1.2235782623699594
Energy: 0.021438364914812248
Energy: 1.2229141354298216
Energy: 0.4553882996325461
Energy: 0.45468917130802244
Energy: 0.4553882996316633

minimum gb energy = 0.020524471963896503 eV
minimum distance =  2.4849283638348 Angstroms
sigma value = 1