Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645769655704
cohesive_energy=4.290547130055596
mass=55.845
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: 0.013216707357314478
Energy: 0.013578708838746716
Energy: 2.5529331824734
Energy: 0.013578708837774954
Energy: 0.013578708837774954
Energy: 0.014139416617882747
Energy: 0.554593395616487
Energy: 0.014139416617882747
Energy: 2.552933182474399
Energy: 0.554593395616487
Energy: 0.5542297779586806
Energy: 0.554593395616487
Energy: 0.013578708837774954
Energy: 0.014139416617882747
Energy: 0.554593395616487
Energy: 0.014139416617882747

minimum gb energy = 0.013216707357314478 eV
minimum distance =  2.4754509516047 Angstroms
sigma value = 1


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

Energy: 1.4459796640221445
Energy: 1.237580441992645
Energy: 1.2040427475758644
Energy: 1.237580441991433
Energy: 1.4405914451124904
Energy: 0.8924707793896282
Energy: 0.9367235372646675
Energy: 0.8924707793884159
Energy: 1.6621090065630786
Energy: 0.9351574117389269
Energy: 0.9145038771574325
Energy: 0.9351574117389269
Energy: 1.2539791297111014
Energy: 0.8935942340629495
Energy: 0.9361516749821956
Energy: 0.8935942340641615
Energy: 1.250510883420499
Energy: 0.8934666938728845
Energy: 1.304484223916495
Energy: 0.8934666938716722
Energy: 1.4558986624490393
Energy: 0.8982797300268843
Energy: 0.8981897323307209
Energy: 0.8982797300268843
Energy: 1.0827193108257664
Energy: 0.8982860788739655
Energy: 0.8982268445687186
Energy: 0.8982860788739655
Energy: 0.8945466950765234
Energy: 0.8962803711588377
Energy: 1.296246437288524
Energy: 0.8962803711576254
Energy: 1.0929619459255293
Energy: 1.0569563337693644
Energy: 1.2562125355054956
Energy: 1.0569563337705767
Energy: 1.5073144554246427
Energy: 0.8984240290146362
Energy: 1.0907958321907327
Energy: 0.8984240290146362
Energy: 0.912194239705698
Energy: 0.9593813182847609
Energy: 1.1746774021536472
Energy: 0.9593813182823363
Energy: 0.9122305416422435
Energy: 0.9120992877407141
Energy: 1.8988953746966013
Energy: 0.9120992877407141
Energy: 1.103089092613704
Energy: 0.9593423816330711
Energy: 1.2539696617465637
Energy: 0.9593423816318589
Energy: 0.933492802858627
Energy: 0.9592705413077031
Energy: 1.2534133642229277
Energy: 0.9592705413077031
Energy: 0.9332405749691212
Energy: 0.8972913981882147
Energy: 1.443341752772268
Energy: 0.8972913981870023
Energy: 0.9333605691508139
Energy: 0.8971616185676138
Energy: 1.443465555194283
Energy: 0.8971616185688259
Energy: 0.9376201949450027
Energy: 0.958485760423423
Energy: 1.2533591740309822
Energy: 0.9584857604246352
Energy: 1.103275394711027
Energy: 0.9589858405457526
Energy: 1.252886355077324
Energy: 0.9589858405469649
Energy: 0.9159784147754394
Energy: 0.9121368644535122
Energy: 1.9568664536626132
Energy: 0.9121368644547243
Energy: 0.9120973434402138
Energy: 0.9591900227463438
Energy: 1.0871942132472197
Energy: 0.9591900227463438
Energy: 1.5072624678962099
Energy: 0.898798556860397
Energy: 1.0899023609980183
Energy: 0.898798556860397
Energy: 1.092245165319867
Energy: 0.8932983900546548
Energy: 1.2562345193643847
Energy: 0.8932983900558671
Energy: 0.994871875373296
Energy: 0.8964659979801826
Energy: 1.0968965803603115
Energy: 0.8964659979801826
Energy: 1.2713523980193384
Energy: 0.8984499898673274
Energy: 0.8982091179458747
Energy: 0.8984499898673274
Energy: 1.4553455627385095
Energy: 0.8982652813427655
Energy: 0.89841517297021
Energy: 0.8982652813439777
Energy: 1.2502256082992942
Energy: 0.8937390765595228
Energy: 1.3045036481719265
Energy: 0.893739076560735
Energy: 1.25150140873813
Energy: 0.8933768973014095
Energy: 0.935195708411964
Energy: 0.8933768973001972
Energy: 1.663543816882598
Energy: 0.9351261523950718
Energy: 0.9151069472464181
Energy: 0.9351261523938597
Energy: 1.4409540433749672
Energy: 0.8923789675777968
Energy: 0.9366616554247396
Energy: 0.8923789675777968
Energy: 1.2642362876951958
Energy: 0.8974488501020809
Energy: 0.9351887646446796
Energy: 0.8974488501032931
Energy: 1.4424551124972562
Energy: 0.8923592756391987
Energy: 0.9351565163779834
Energy: 0.8923592756379866
Energy: 1.4546764859635088
Energy: 0.910529424809155
Energy: 0.9151301978821114
Energy: 0.910529424809155
Energy: 1.2504270493560854
Energy: 0.8934506023166284
Energy: 0.9785599803477119
Energy: 0.8934506023166284

minimum gb energy = 0.8923592756379866 eV
minimum distance =  2.34610514908805 Angstroms
sigma value = 1


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

Energy: 1.5785102923659835
Energy: 0.9408933980855207
Energy: 0.9823853838216927
Energy: 0.9408933980841387
Energy: 1.3236061398123662
Energy: 0.9208241171601458
Energy: 1.0230423557267163
Energy: 0.9208241171587638
Energy: 1.3514068974367919
Energy: 0.9653719845557274
Energy: 0.9655774452081799
Energy: 0.9653719845543451
Energy: 0.9193287946688641
Energy: 0.9436690998014163
Energy: 1.0231333026127953
Energy: 0.9436690998027985
Energy: 0.9192330719395545
Energy: 0.9449877511147434
Energy: 1.4359661907526082
Energy: 0.9449877511147434
Energy: 1.351315292178232
Energy: 0.9437182443268869
Energy: 0.9437371955155245
Energy: 0.9437182443268869
Energy: 0.9679105638390363
Energy: 0.9940207775557042
Energy: 0.9435868865060812
Energy: 0.9940207775557042
Energy: 0.9437578477497547
Energy: 0.9435804107128201
Energy: 1.4352715372286053
Energy: 0.9435804107128201
Energy: 0.96619607080942
Energy: 0.9196589108345613
Energy: 1.3538687524924038
Energy: 0.9196589108359435
Energy: 1.022890114145224
Energy: 0.9193723627800143
Energy: 0.9193290253581237
Energy: 0.9193723627800143
Energy: 0.9450478160583026
Energy: 1.1122110380620671
Energy: 1.354527944012988
Energy: 1.1122110380620671
Energy: 0.9443999083429395
Energy: 0.9439919237539109
Energy: 1.8148761265508377
Energy: 0.9439919237552931
Energy: 1.0233060459490022
Energy: 0.9195883206697031
Energy: 1.322485551325117
Energy: 0.9195883206697031
Energy: 1.02330604594762
Energy: 0.9196501423203355
Energy: 1.3224622831380626
Energy: 0.9196501423203355
Energy: 0.9444899443268066
Energy: 0.9439640438138762
Energy: 1.8148354431247329
Energy: 0.9439640438138762
Energy: 0.9450937577398073
Energy: 1.11225370198655
Energy: 1.354495819231394
Energy: 1.11225370198655
Energy: 1.0228901141438418
Energy: 0.9193676003389103
Energy: 0.9193186300109009
Energy: 0.9193676003389103
Energy: 0.9660082740256454
Energy: 0.9195839413508341
Energy: 1.3538208855291427
Energy: 0.9195839413508341
Energy: 0.9436591770119575
Energy: 0.9435813421582435
Energy: 1.4352715372286053
Energy: 0.9435813421596257
Energy: 0.9676207168211136
Energy: 0.9940706962569344
Energy: 0.943740756763554
Energy: 0.9940706962569344
Energy: 1.3513168350216278
Energy: 0.943761581775007
Energy: 0.9437356172761764
Energy: 0.943761581775007
Energy: 0.9193223929942447
Energy: 0.9457556179389784
Energy: 1.4359661907553727
Energy: 0.9457556179389784
Energy: 0.9193136103608466
Energy: 0.9437262234934962
Energy: 1.0231333026127953
Energy: 0.9437262234934962
Energy: 1.3513486982189966
Energy: 0.9653807359363121
Energy: 0.9655423221003612
Energy: 0.9653807359363121
Energy: 1.323931448661035
Energy: 0.9206287189648199
Energy: 1.0230423557253343
Energy: 0.9206287189648199
Energy: 1.5785102923659835
Energy: 0.9408933980855207
Energy: 0.9823854381610981
Energy: 0.9408933980841387
Energy: 1.3236061398109842
Energy: 0.9208241171601458
Energy: 1.0230423557267163
Energy: 0.9208241171601458
Energy: 1.351406897438174
Energy: 0.9653719845543451
Energy: 0.9655774452081799
Energy: 0.9653719845557274
Energy: 0.9193287946688641
Energy: 0.9436690998027985
Energy: 1.0231333026127953
Energy: 0.9436690998014163

minimum gb energy = 0.9192330719395545 eV
minimum distance =  2.33567657614612 Angstroms
sigma value = 25


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

Energy: 1.3524358794972822
Energy: 1.1113057624068854
Energy: 1.0417502977117874
Energy: 1.1113057624068854
Energy: 1.4442762934820212
Energy: 0.9934084713413411
Energy: 1.0686689574944825
Energy: 0.9934084713413411
Energy: 1.4608139078465714
Energy: 1.0240920540758804
Energy: 1.0242891904202482
Energy: 1.0240920540758804
Energy: 1.2560279936001868
Energy: 0.9888758783498767
Energy: 1.0686924693824196
Energy: 0.98887587834827
Energy: 1.2551939447329499
Energy: 0.9885281809942347
Energy: 1.264076479578784
Energy: 0.9885281809942347
Energy: 1.4600740956761562
Energy: 0.9934138268996051
Energy: 0.9933035453822471
Energy: 0.9934138268996051
Energy: 1.0203788656909303
Energy: 0.9885863468627304
Energy: 0.9932778957931189
Energy: 0.9885863468643369
Energy: 0.9980595412982661
Energy: 1.0198125850368895
Energy: 1.538535040994423
Energy: 1.0198125850384963
Energy: 1.073553423653346
Energy: 1.077181871537114
Energy: 1.2464526995567233
Energy: 1.077181871537114
Energy: 1.0664750418509974
Energy: 0.9826651614989663
Energy: 1.246287353436573
Energy: 0.9826651614973597
Energy: 1.0613621268681497
Energy: 0.9885173190322288
Energy: 1.4487511122747079
Energy: 0.9885173190322288
Energy: 1.0530077566606082
Energy: 1.020101780657665
Energy: 1.4480583511354184
Energy: 1.020101780657665
Energy: 1.0880057002467503
Energy: 0.9827860532961961
Energy: 1.2464161377269887
Energy: 0.9827860532961961
Energy: 1.073664853346584
Energy: 1.0772493881360616
Energy: 1.2462038753645641
Energy: 1.0772493881360616
Energy: 1.01913902576042
Energy: 1.0198541806414594
Energy: 1.8027338914025652
Energy: 1.0198541806414594
Energy: 1.0199889012244485
Energy: 0.9885486432425422
Energy: 0.9933342118833131
Energy: 0.9885486432409356
Energy: 1.7812782159007043
Energy: 0.9932839838128825
Energy: 0.9932987423635967
Energy: 0.9932839838144891
Energy: 1.2549166300292272
Energy: 0.9885321876733137
Energy: 1.264693551716976
Energy: 0.9885321876733137
Energy: 1.255001829630283
Energy: 0.9886068107025835
Energy: 1.0687227136632493
Energy: 0.9886068107025835
Energy: 1.235146601451496
Energy: 0.9933002044792896
Energy: 1.0246281196780263
Energy: 0.9933002044792896
Energy: 1.4459754401317755
Energy: 0.9932734235787857
Energy: 1.024806557725301
Energy: 0.9932734235787857
Energy: 1.2567698992971175
Energy: 0.9827824102879374
Energy: 1.0687555023709323
Energy: 0.9827824102879374
Energy: 1.4462900606674007
Energy: 1.0697890675349366
Energy: 1.0685910183490672
Energy: 1.0697890675349366
Energy: 1.6109369981775654
Energy: 1.0325786422135674
Energy: 1.0332095826897916
Energy: 1.0325786422135674
Energy: 1.255346815652111
Energy: 0.9888086912880715
Energy: 1.0156141225548687
Energy: 0.9888086912880715

minimum gb energy = 0.9826651614973597 eV
minimum distance =  2.34703350811122 Angstroms
sigma value = 9


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

Energy: 1.0014944030840642
Energy: 1.000538187801892
Energy: 1.1317494772047643
Energy: 1.0005381878022621
Energy: 1.0010654356066726
Energy: 1.0427268622051857
Energy: 1.0425463529250567
Energy: 1.0427268622051857
Energy: 1.0938702922074215
Energy: 1.0940262534403709
Energy: 1.094016498680649
Energy: 1.0940262534405667
Energy: 1.0426736760098498
Energy: 1.0426677186592765
Energy: 1.0426276964046806
Energy: 1.0426677186592765
Energy: 1.0429716371355255
Energy: 1.043479816395919
Energy: 1.0938852025503012
Energy: 1.043479816395723
Energy: 1.7951151720140048
Energy: 1.0428952288043387
Energy: 1.042693914838634
Energy: 1.0428952288041424
Energy: 1.0425979370174714
Energy: 1.0433563767941159
Energy: 1.0429497028310764
Energy: 1.043356376794508
Energy: 1.0427637858460432
Energy: 1.043507301189271
Energy: 1.591719716540566
Energy: 1.043507301189271
Energy: 1.2331341763197448
Energy: 1.0432972166416392
Energy: 1.000600427063285
Energy: 1.0432972166416392
Energy: 1.2337163680428314
Energy: 1.0006231959898226
Energy: 1.0006833135462085
Energy: 1.0006231959896263
Energy: 1.0435866650283485
Energy: 1.143596800521004
Energy: 1.5914872393602721
Energy: 1.1435968005208297
Energy: 1.1332926850766436
Energy: 1.000494457302784
Energy: 1.0942609224008157
Energy: 1.000494457302588
Energy: 1.233107678266392
Energy: 1.0426698736967754
Energy: 1.0431586419424155
Energy: 1.0426698736965794
Energy: 1.0939930620178848
Energy: 1.0976048382779044
Energy: 1.093998898690583
Energy: 1.0976048382779044
Energy: 1.0431579440811685
Energy: 1.0426687312190694
Energy: 1.2331076782679382
Energy: 1.0426687312190694
Energy: 1.094072456203642
Energy: 1.000509696205987
Energy: 1.1332245024877603
Energy: 1.000509696205595
Energy: 1.5914436799080232
Energy: 1.1435859540556716
Energy: 1.043617284792839
Energy: 1.143585954055868
Energy: 1.0006459582025242
Energy: 1.0006310905982723
Energy: 1.233716368042657
Energy: 1.0006310905982723
Energy: 1.000621141135848
Energy: 1.0432814066318883
Energy: 1.2331341763189825
Energy: 1.0432814066318883
Energy: 1.5916973476266063
Energy: 1.0434115797776786
Energy: 1.0427536865880678
Energy: 1.0434115797776786
Energy: 1.0429281757632045
Energy: 1.0433122626983755
Energy: 1.0440089581998317
Energy: 1.0433122626983755

minimum gb energy = 1.000494457302588 eV
minimum distance =  2.32129957362753 Angstroms
sigma value = 25


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

Energy: 1.144940095426793
Energy: 1.1015076062099765
Energy: 1.2035754875622233
Energy: 1.1015076062104343
Energy: 1.4282491095929055
Energy: 1.1972111479060596
Energy: 1.1609250519971306
Energy: 1.1972111479063021
Energy: 1.2842415362471646
Energy: 1.1484073809864
Energy: 1.161581760165696
Energy: 1.1484073809864
Energy: 1.1102066292650485
Energy: 1.1887618330093799
Energy: 1.1288878642920068
Energy: 1.1887618330086798
Energy: 1.1896726339821437
Energy: 1.1968015001600067
Energy: 1.4698084895056776
Energy: 1.1968015001604648
Energy: 1.5355548544027897
Energy: 1.1425985671149232
Energy: 1.142481527374333
Energy: 1.142598567114681
Energy: 1.2875605268060901
Energy: 1.1897622580717417
Energy: 1.1428378703407591
Energy: 1.1897622580722265
Energy: 1.189411189401674
Energy: 1.2208805180633944
Energy: 1.470545276024362
Energy: 1.2208805180643372
Energy: 1.2214767682377206
Energy: 1.1427482784062322
Energy: 1.1423835565812193
Energy: 1.1427482784062322
Energy: 1.268883019504882
Energy: 1.1433533481513112
Energy: 1.1424165210721797
Energy: 1.1433533481513112
Energy: 1.1484536245382946
Energy: 1.189162942499065
Energy: 1.4649628198956681
Energy: 1.189162942499065
Energy: 1.1887518065037401
Energy: 1.1434981913677076
Energy: 1.1302391057298589
Energy: 1.1434981913677076
Energy: 1.416308436341707
Energy: 1.1482455104894453
Energy: 1.149701340165009
Energy: 1.1482455104899034
Energy: 1.4460282936580222
Energy: 1.1965796539650848
Energy: 1.2856073754857218
Energy: 1.1965796539643843
Energy: 1.446269109475229
Energy: 1.0867009660979923
Energy: 1.2851445189484934
Energy: 1.0867009660984772
Energy: 1.4278185905995369
Energy: 1.1344214232789882
Energy: 1.1290428445409628
Energy: 1.1344214232794732
Energy: 1.1889000972932657
Energy: 1.1427764981400532
Energy: 1.1492912098028234
Energy: 1.1427764981407535

minimum gb energy = 1.0867009660979923 eV
minimum distance =  2.30365126927304 Angstroms
sigma value = 17


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

Energy: 1.5644486765537098
Energy: 1.1633301440306674
Energy: 1.2549421979558888
Energy: 1.1633301440320096
Energy: 1.3832802566480185
Energy: 1.2253288097604387
Energy: 1.2688218937331563
Energy: 1.2253288097604387
Energy: 1.3831749294592854
Energy: 1.2110954389853212
Energy: 1.191443303690217
Energy: 1.211095438983979
Energy: 1.1848383005070624
Energy: 1.1828492316484343
Energy: 1.2342623248021307
Energy: 1.1828492316484343
Energy: 1.2223294424972946
Energy: 1.2248362785790081
Energy: 1.4176593264673902
Energy: 1.2248362785776654
Energy: 1.4109843398147148
Energy: 1.1620298090968209
Energy: 1.2069839409840435
Energy: 1.1620298090954784
Energy: 1.3105450854982577
Energy: 1.1839547453582646
Energy: 1.37576196109971
Energy: 1.1839547453582646
Energy: 1.216531113426993
Energy: 1.1822831476183209
Energy: 1.4642808731824577
Energy: 1.1822831476196634
Energy: 1.196813447607653
Energy: 1.227426048411444
Energy: 1.1682548726128683
Energy: 1.227426048411444
Energy: 1.4098786407209494
Energy: 1.1639837958278936
Energy: 1.2300944704875922
Energy: 1.163983795829236
Energy: 1.2096715857189495
Energy: 1.2097382500899205
Energy: 1.4354053219822576
Energy: 1.2097382500899205
Energy: 1.2095922290709529
Energy: 1.2278832809118037
Energy: 1.2608345777771752
Energy: 1.2278832809131461
Energy: 1.3942423633635874
Energy: 1.2408204656045085
Energy: 1.2616091004312893
Energy: 1.2408204656045085
Energy: 1.209520996934708
Energy: 1.209961550111625
Energy: 1.2440318547412068
Energy: 1.209961550111625
Energy: 1.2100472363786032
Energy: 1.179258297470005
Energy: 1.445979007305404
Energy: 1.1792582974713475
Energy: 1.4413170362150702
Energy: 1.227674470213578
Energy: 1.1681038422088559
Energy: 1.227674470213578
Energy: 1.218100029493806
Energy: 1.2697446637500964
Energy: 1.2274589081856913
Energy: 1.269744663751439
Energy: 1.1972319358904566
Energy: 1.2529134183051989
Energy: 1.3943605933448329
Energy: 1.2529134183065413
Energy: 1.2973977512903943
Energy: 1.1628746242589725
Energy: 1.3647153649585397
Energy: 1.1628746242589725
Energy: 1.40580167183303
Energy: 1.162401838053581
Energy: 1.3648376124596617
Energy: 1.162401838053581
Energy: 1.1821208671429204
Energy: 1.259610175079519
Energy: 1.4368839034545289
Energy: 1.2596101750781765
Energy: 1.1821588670509635
Energy: 1.275918434270615
Energy: 1.210806654796234
Energy: 1.2759184342719574
Energy: 1.404047310781948
Energy: 1.2108633793275663
Energy: 1.1939619678565927
Energy: 1.2108633793275663
Energy: 1.3628695299769702
Energy: 1.1684957766446487
Energy: 1.3039502392181428
Energy: 1.1684957766446487
Energy: 1.3628795390897295
Energy: 1.1674305491462076
Energy: 1.3786469965067678
Energy: 1.1674305491475503
Energy: 1.4116271964616396
Energy: 1.2097286667110674
Energy: 1.2110544990328005
Energy: 1.2097286667110674
Energy: 1.179115057622864
Energy: 1.2280950010763665
Energy: 1.1938563538707554
Energy: 1.228095001075024
Energy: 1.1828723946972068
Energy: 1.1822495152483465
Energy: 1.443007027099173
Energy: 1.1822495152483465
Energy: 1.3770491090388017
Energy: 1.1624781119779173
Energy: 1.3667515659507732
Energy: 1.1624781119779173
Energy: 1.2571598050937303
Energy: 1.1621141638971988
Energy: 1.2051107668861065
Energy: 1.1621141638971988

minimum gb energy = 1.1620298090954784 eV
minimum distance =  2.30905180224781 Angstroms
sigma value = 53


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

Energy: 1.194368079176353
Energy: 1.197458805811981
Energy: 1.3744179606269415
Energy: 1.197458805811981
Energy: 1.2762424252844042
Energy: 1.1960292414093232
Energy: 1.1944195279680514
Energy: 1.1960292414099556
Energy: 1.1942881472683433
Energy: 1.2971470769356033
Energy: 1.3068060964098203
Energy: 1.297147076935287
Energy: 1.3067927880083121
Energy: 1.2971266158496244
Energy: 1.194180818786406
Energy: 1.2971266158499404
Energy: 1.194232571867269
Energy: 1.1973588762574165
Energy: 1.276389939105152
Energy: 1.197358876258049
Energy: 2.518142186702749
Energy: 1.1974588058128943
Energy: 1.194368079176353
Energy: 1.197458805811981
Energy: 1.1944195279680514
Energy: 1.1960292414099556
Energy: 1.2762424252844042
Energy: 1.1960292414096394
Energy: 1.3068060964098203
Energy: 1.2971470769356033
Energy: 1.1942881480875844
Energy: 1.2971470769356033
Energy: 1.1941808187076322
Energy: 1.2971266158493082
Energy: 1.3067927880083121
Energy: 1.2971266158493082
Energy: 1.276389939105152
Energy: 1.1973588762577327
Energy: 1.194232571867269
Energy: 1.1973588762574165
Energy: 1.194368079176353
Energy: 1.1974588058122622
Energy: 1.3744180100043557
Energy: 1.197458805811981
Energy: 1.2762424252846856
Energy: 1.1960292414096394
Energy: 1.1944195279683676
Energy: 1.1960292414096394
Energy: 1.1942881488209578
Energy: 1.2971470769356033
Energy: 1.3068060964095394
Energy: 1.2971470769356033

minimum gb energy = 1.1941808187076322 eV
minimum distance =  2.31510926428136 Angstroms
sigma value = 9


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

Energy: 1.3937362288787813
Energy: 1.286560423296009
Energy: 1.4462095169313187
Energy: 1.286560423294865
Energy: 1.5522829015470014
Energy: 1.2781662075390645
Energy: 1.3932236436609715
Energy: 1.2781662075402085
Energy: 1.3226761225714567
Energy: 1.2510174959438067
Energy: 1.2512663321251636
Energy: 1.2510174959449505
Energy: 1.2618467032661767
Energy: 1.2748641995985817
Energy: 1.3653395801662453
Energy: 1.2748641995985817
Energy: 1.3187651235837088
Energy: 1.237770253860994
Energy: 1.555540962117041
Energy: 1.237770253860994
Energy: 1.5198889981199781
Energy: 1.3491129468583032
Energy: 1.3913357228425227
Energy: 1.3491129468571594
Energy: 1.3813251978016086
Energy: 1.3282347042414433
Energy: 1.578505519482464
Energy: 1.3282347042402993
Energy: 1.237916104817908
Energy: 1.282840785474029
Energy: 1.325525744627401
Energy: 1.282840785474029
Energy: 1.3303486188991733
Energy: 1.2513887476806982
Energy: 1.2863865902100142
Energy: 1.2513887476784102
Energy: 1.398011589327221
Energy: 1.2514502936424472
Energy: 1.3497508748069962
Energy: 1.2514502936413032
Energy: 1.2625287568751353
Energy: 1.3574255368819226
Energy: 1.5482139792629852
Energy: 1.3574255368830666
Energy: 1.5957318918183356
Energy: 1.3341979557281523
Energy: 1.3260456176907744
Energy: 1.3341979557292962
Energy: 1.3123350427623883
Energy: 1.2664419367690902
Energy: 1.2689695446826008
Energy: 1.2664419367679465
Energy: 1.3167799714698794
Energy: 1.3252993884481352
Energy: 1.418001023615249
Energy: 1.3252993884481352
Energy: 1.3217024066885272
Energy: 1.28299893344929
Energy: 1.2663840198931753
Energy: 1.2829989334481462
Energy: 1.5526874546444789
Energy: 1.266389246742948
Energy: 1.2717298986943388
Energy: 1.266389246742948
Energy: 1.4299751259157125
Energy: 1.2670727697137518
Energy: 1.617928966598129
Energy: 1.2670727697126078
Energy: 1.2657806222327102
Energy: 1.3564574276096852
Energy: 1.3451726981353407
Energy: 1.3564574276085415
Energy: 1.5874709409572294
Energy: 1.351889375327373
Energy: 1.3085459162647188
Energy: 1.3518893753250854
Energy: 1.2826508230382074
Energy: 1.2663181904883665
Energy: 1.2820279557658116
Energy: 1.2663181904872225
Energy: 1.2369362154989165
Energy: 1.2833571166361055
Energy: 1.3083985246603953
Energy: 1.2833571166361055
Energy: 1.5312644865847114
Energy: 1.2375187963530205
Energy: 1.3884608813184152
Energy: 1.2375187963541645
Energy: 1.4166091706357073
Energy: 1.345920473798052
Energy: 1.3896679584602925
Energy: 1.345920473798052
Energy: 1.3375841222211091
Energy: 1.3571461971397032
Energy: 1.4825969419400924
Energy: 1.3571461971397032
Energy: 1.2607579501077897
Energy: 1.2830515763543449
Energy: 1.2508513842584215
Energy: 1.2830515763520571
Energy: 1.4920083625970304
Energy: 1.3101259952285862
Energy: 1.2513913458348784
Energy: 1.3101259952274424
Energy: 1.4720991914683939
Energy: 1.2330015911045178
Energy: 1.5645653459785898
Energy: 1.233001591103374
Energy: 1.3928104963556263
Energy: 1.232881152210589
Energy: 1.5638162848464465
Energy: 1.232881152210589
Energy: 1.4777306347638892
Energy: 1.310795029814465
Energy: 1.2989378871047637
Energy: 1.310795029814465
Energy: 1.2604698410148563
Energy: 1.2837091367605038
Energy: 1.2508167524166522
Energy: 1.28370913675936
Energy: 1.322811120339382
Energy: 1.3547360014694232
Energy: 1.4886891104225157
Energy: 1.3547360014694232
Energy: 1.4168151816211356
Energy: 1.2373043647680781
Energy: 1.3923443577060932
Energy: 1.2373043647692221
Energy: 1.6240675412426355
Energy: 1.2373103938223273
Energy: 1.3885561681278193
Energy: 1.2373103938223273
Energy: 1.236971464184392
Energy: 1.2837518989816075
Energy: 1.5697352481795088
Energy: 1.2837518989804637
Energy: 1.2825292928091523
Energy: 1.2665450567299783
Energy: 1.2817490876139663
Energy: 1.2665450567276906

minimum gb energy = 1.232881152210589 eV
minimum distance =  2.2705469932292 Angstroms
sigma value = 73


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

Energy: 1.4448609933015042
Energy: 1.3572149106220697
Energy: 1.4953930105413
Energy: 1.3572149106217188
Energy: 1.4695248216977834
Energy: 1.2977984273280438
Energy: 1.405842817679479
Energy: 1.297798427327487
Energy: 1.3496356726910386
Energy: 1.3151007148385447
Energy: 1.229386400494869
Energy: 1.3151007148385447
Energy: 1.2765149943064273
Energy: 1.2568046074493948
Energy: 1.3727496792356708
Energy: 1.2568046074493948
Energy: 1.4298732443803583
Energy: 1.2568279322521922
Energy: 1.4592644818900284
Energy: 1.2568279322520066
Energy: 1.670565235891597
Energy: 1.3796056131049956
Energy: 1.2397418697768967
Energy: 1.3796056131044594
Energy: 1.316585597463357
Energy: 1.3001073271634234
Energy: 1.504518705493752
Energy: 1.300107327163609
Energy: 1.2586141432632323
Energy: 1.2567842120792942
Energy: 1.3604556199581228
Energy: 1.2567842120792942
Energy: 1.5278955244755696
Energy: 1.314810739854217
Energy: 1.354390149299754
Energy: 1.3148107398540316
Energy: 1.2568247606900933
Energy: 1.315094906353461
Energy: 1.3548536026055378
Energy: 1.3150949063532755
Energy: 1.2566733944626938
Energy: 1.2567408860944376
Energy: 1.6456707580543188
Energy: 1.2567408860942522
Energy: 1.5647915326055295
Energy: 1.2567002081066747
Energy: 1.4778319743309822
Energy: 1.256700208106489
Energy: 1.4283251643440902
Energy: 1.2570519987706206
Energy: 1.2384399638926262
Energy: 1.257051998770806
Energy: 1.3147810389576935
Energy: 1.4229216413393782
Energy: 1.5263960931937468
Energy: 1.422921641339729
Energy: 1.27615796257175
Energy: 1.2566600365105063
Energy: 1.3145443613705383
Energy: 1.2566600365101557
Energy: 1.4076037195342739
Energy: 1.3151697336236752
Energy: 1.2296301155881006
Energy: 1.3151697336236752
Energy: 1.4302826927917083
Energy: 1.2382314720940852
Energy: 1.6531891624856252
Energy: 1.2382314720940852
Energy: 1.4305735649496638
Energy: 1.2381894465925558
Energy: 1.6523933178907297
Energy: 1.2381894465927414
Energy: 1.5950352515872503
Energy: 1.3155606404298015
Energy: 1.3147339921598704
Energy: 1.315560640429987
Energy: 1.27603389212873
Energy: 1.2568016578527312
Energy: 1.2294042887303382
Energy: 1.2568016578525663
Energy: 1.350465117240428
Energy: 1.2777652429279773
Energy: 1.528720841531118
Energy: 1.2777652429283277
Energy: 1.428320178746771
Energy: 1.256843102480553
Energy: 1.2383485350319445
Energy: 1.256843102479831

minimum gb energy = 1.229386400494869 eV
minimum distance =  2.26832139107429 Angstroms
sigma value = 7


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

Energy: 1.5800860236015988
Energy: 1.3863424003572689
Energy: 1.4858927258968677
Energy: 1.3863424003572689
Energy: 1.5164818585755486
Energy: 1.3062352806898427
Energy: 1.3169767960493193
Energy: 1.3062352806885593
Energy: 1.2995817338516917
Energy: 1.279488305994866
Energy: 1.2809506719658508
Energy: 1.2794883059936122
Energy: 1.3048341374423544
Energy: 1.232214036084234
Energy: 1.2803032527281695
Energy: 1.232214036084234
Energy: 1.3932832154553605
Energy: 1.2797112385072769
Energy: 1.2317998007932496
Energy: 1.2797112385072769
Energy: 1.8140585753985894
Energy: 1.2318252342813119
Energy: 1.2346364407013706
Energy: 1.2318252342813119
Energy: 1.273513891545955
Energy: 1.3140716934330297
Energy: 1.585117292535216
Energy: 1.3140716934317465
Energy: 1.2347756397514036
Energy: 1.2320964026504961
Energy: 1.3868927593075895
Energy: 1.2320964026504961
Energy: 1.6223325917281874
Energy: 1.279994011401258
Energy: 1.3163488455999235
Energy: 1.279994011401258
Energy: 1.2795290246384023
Energy: 1.2319862797073273
Energy: 1.305170083628889
Energy: 1.2319862797073273
Energy: 1.2794534019034136
Energy: 1.279631024379822
Energy: 1.382026098308694
Energy: 1.279631024379822
Energy: 1.7268354021291465
Energy: 1.2318937697496746
Energy: 1.4957570469966173
Energy: 1.2318937697496746
Energy: 1.723525722239858
Energy: 1.23228403959065
Energy: 1.4973879711366636
Energy: 1.23228403959065
Energy: 1.2801419564231864
Energy: 1.2799743001344457
Energy: 1.6509874816210888
Energy: 1.279974300135729
Energy: 1.2793607050945843
Energy: 1.2319232761828838
Energy: 1.2995561292320552
Energy: 1.2319232761828838
Energy: 1.6212350804310738
Energy: 1.382055794586944
Energy: 1.3141543598419871
Energy: 1.382055794586944
Energy: 1.2315311672182265
Energy: 1.2320345186990678
Energy: 1.3869400508135252
Energy: 1.2320345186990678
Energy: 1.2319046686373645
Energy: 1.2796647461544783
Energy: 1.6134701020300557
Energy: 1.2796647461544783
Energy: 1.8293488540999323
Energy: 1.231892012564267
Energy: 1.23167708653079
Energy: 1.231892012564267
Energy: 1.3880047799651654
Energy: 1.2802892153026135
Energy: 1.2317088396497975
Energy: 1.2802892153026135
Energy: 1.2995798227705084
Energy: 1.3138569887174847
Energy: 1.3996500185364855
Energy: 1.3138569887162013
Energy: 1.2994561309272759
Energy: 1.2799323515842698
Energy: 1.2844964681619426
Energy: 1.2799323515842698
Energy: 1.5165693038884545
Energy: 1.3081212913009588
Energy: 1.315683345182174
Energy: 1.3081212913009588
Energy: 1.4947165120690102
Energy: 1.2326346786602271
Energy: 1.72263348297855
Energy: 1.2326346786602271
Energy: 1.5002552377128606
Energy: 1.231651134604421
Energy: 1.3018693172784088
Energy: 1.231651134604421
Energy: 1.3825874883127804
Energy: 1.2802250462097586
Energy: 1.2844383580326681
Energy: 1.2802250462084752
Energy: 1.3012665882913776
Energy: 1.2321188814900874
Energy: 1.2802034705870549
Energy: 1.2321188814900874
Energy: 1.387375370251475
Energy: 1.2800020744566731
Energy: 1.5564861797967853
Energy: 1.2800020744566731
Energy: 1.3868936230183087
Energy: 1.2317136458796287
Energy: 1.2315156952885433
Energy: 1.2317136458796287
Energy: 1.5907854158967145
Energy: 1.3322771444592232
Energy: 1.590981635313204
Energy: 1.3322771444592232
Energy: 1.2315069505069782
Energy: 1.2316954316452506
Energy: 1.3868936230183087
Energy: 1.2316954316452506

minimum gb energy = 1.2315069505069782 eV
minimum distance =  2.28850306886674 Angstroms
sigma value = 29


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

Energy: 1.1112488706473609
Energy: 1.1997876312682396
Energy: 1.4983063800281202
Energy: 1.1997876312682396
Energy: 1.5771307061742543
Energy: 1.190580502028163
Energy: 1.1976533017109072
Energy: 1.190580502028163
Energy: 1.498018750332539
Energy: 1.1676525974484482
Energy: 1.1689497207474602
Energy: 1.1676525974484482
Energy: 1.6281902548566562
Energy: 1.1998376001479207
Energy: 1.1683749597067776
Energy: 1.1998376001479207
Energy: 1.6633536061844338
Energy: 1.1677803549198282
Energy: 1.1681803807620679
Energy: 1.1677803549198282
Energy: 1.4485021915769731
Energy: 1.1688990701899054
Energy: 1.1677834749157652
Energy: 1.168899070189483
Energy: 1.5773692602158116
Energy: 1.1676099647822693
Energy: 1.8312345992051482
Energy: 1.1676099647822693
Energy: 1.1097509027684709
Energy: 1.169217326174126
Energy: 1.8335854068807171
Energy: 1.1692173261737038
Energy: 1.6150121921277283
Energy: 1.1981120475337232
Energy: 1.198593822192782
Energy: 1.1981120475337232

minimum gb energy = 1.1097509027684709 eV
minimum distance =  2.34076091991192 Angstroms
sigma value = 5


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

Energy: 1.3620172760779234
Energy: 1.23842861850088
Energy: 1.5479728592404134
Energy: 1.23842861850088
Energy: 1.3561411655304034
Energy: 1.2125165647441247
Energy: 1.3198034499132731
Energy: 1.2125165647429128
Energy: 1.27504677110276
Energy: 1.267573674837377
Energy: 1.2659508699253603
Energy: 1.267573674837377
Energy: 1.2749510500781207
Energy: 1.2767825602304037
Energy: 1.3436096497628367
Energy: 1.2767825602316158
Energy: 1.2065268876128534
Energy: 1.2667121017676306
Energy: 1.2386800931615696
Energy: 1.2667121017676306
Energy: 1.3390428478601113
Energy: 1.2961940712448508
Energy: 1.2359606783845414
Energy: 1.2961940712448508
Energy: 1.3407243045667598
Energy: 1.2504184809656471
Energy: 1.3932489285792697
Energy: 1.250418480964435
Energy: 1.3432151070185137
Energy: 1.249880910973617
Energy: 1.5186657440289864
Energy: 1.249880910973617
Energy: 1.5440937320294215
Energy: 1.230050957871686
Energy: 1.3331776077871198
Energy: 1.2300509578728984
Energy: 1.5459981233139477
Energy: 1.230296686630072
Energy: 1.3357983645732947
Energy: 1.2302966866288596
Energy: 1.265824558036683
Energy: 1.2677179707825845
Energy: 1.4041694042941302
Energy: 1.2677179707825845
Energy: 1.2668432777900465
Energy: 1.2675475673550278
Energy: 1.236000671928125
Energy: 1.2675475673550278
Energy: 1.369858303755987
Energy: 1.3189104307457118
Energy: 1.2347804910502813
Energy: 1.3189104307457118
Energy: 1.2243510524910326
Energy: 1.2688382938765697
Energy: 1.2349040812038448
Energy: 1.2688382938765697
Energy: 1.247052656725027
Energy: 1.368850224457771
Energy: 1.4440406214924786
Energy: 1.3688502244565588
Energy: 1.587053834761125
Energy: 1.2411627914881376
Energy: 1.3319311867522088
Energy: 1.2411627914881376
Energy: 1.439412319801587
Energy: 1.231399474702151
Energy: 1.460488416463612
Energy: 1.231399474700939
Energy: 1.2450958909367387
Energy: 1.2519917114949997
Energy: 1.52391447127763
Energy: 1.2519917114937875
Energy: 1.3416235530693328
Energy: 1.2475123998329467
Energy: 1.2952593190182264
Energy: 1.2475123998329467
Energy: 1.263429760892778
Energy: 1.2670225700899118
Energy: 1.240831782854001
Energy: 1.2670225700899118
Energy: 1.2645166344657945
Energy: 1.2761182292193072
Energy: 1.2961494318934084
Energy: 1.2761182292193072
Energy: 1.3544433416864898
Energy: 1.2671315635799545
Energy: 1.2498976222154756
Energy: 1.2671315635799545
Energy: 1.2752410934239917
Energy: 1.266207643324175
Energy: 1.2517842249109283
Energy: 1.2662076433229628
Energy: 1.467087143327048
Energy: 1.2273131651528544
Energy: 1.6487332461001964
Energy: 1.2273131651528544
Energy: 1.4627400066791123
Energy: 1.2277507944352501
Energy: 1.701209500293105
Energy: 1.2277507944352501
Energy: 1.4508506113002109
Energy: 1.2658351327277377
Energy: 1.2497042774079579
Energy: 1.26583513272895
Energy: 1.278874338562853
Energy: 1.265583222860467
Energy: 1.2519494407943352
Energy: 1.265583222860467
Energy: 1.3026435643549525
Energy: 1.2775759780725118
Energy: 1.408282924770502
Energy: 1.2775759780712996
Energy: 1.2651919913713838
Energy: 1.2673115486826882
Energy: 1.2381756909543782
Energy: 1.2673115486839002
Energy: 1.3570592742733518
Energy: 1.3726380687318638
Energy: 1.302955874634787
Energy: 1.3726380687330761
Energy: 1.3386704801851728
Energy: 1.2524926094129571
Energy: 1.3905800167965185
Energy: 1.2524926094141695
Energy: 1.3399945351438698
Energy: 1.2205095179736616
Energy: 1.5142332974590056
Energy: 1.220509517974874
Energy: 1.7059679478527947
Energy: 1.2325322994219705
Energy: 1.3312320088804614
Energy: 1.2325322994219705

minimum gb energy = 1.2065268876128534 eV
minimum distance =  2.27536334756544 Angstroms
sigma value = 1


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

Energy: 1.233208963043581
Energy: 1.1846579356145492
Energy: 1.5526865938147427
Energy: 1.1846579356145492
Energy: 1.1801253264084632
Energy: 1.1950582542469192
Energy: 1.2463965756075475
Energy: 1.1950582542469192
Energy: 1.3913750605335915
Energy: 1.2452443578196108
Energy: 1.3089068874763303
Energy: 1.2452443578196108
Energy: 1.2455829948625434
Energy: 1.2457122047245623
Energy: 1.2724836875486196
Energy: 1.2457122047262383
Energy: 1.195516201011558
Energy: 1.1847696728358401
Energy: 1.1954508578540297
Energy: 1.1847696728358401
Energy: 1.1959788072532909
Energy: 1.245978043326654
Energy: 1.1954129632182373
Energy: 1.245978043326654
Energy: 1.2728182840606896
Energy: 1.2454757360510404
Energy: 1.3895116870842785
Energy: 1.2454757360510404
Energy: 1.2771472156824815
Energy: 1.2451846168572458
Energy: 1.3926044373771864
Energy: 1.2451846168572458
Energy: 1.479293454193402
Energy: 1.1844754634517451
Energy: 1.2039803211588715
Energy: 1.1844754634517451
Energy: 1.479293454196754
Energy: 1.184461878696562
Energy: 1.2039828580526113
Energy: 1.184461878696562
Energy: 1.2755912131879892
Energy: 1.2452140454462495
Energy: 1.3926044373788624
Energy: 1.2452140454462495
Energy: 1.2727995654452633
Energy: 1.2454885254933057
Energy: 1.3895116870859547
Energy: 1.2454885254949817
Energy: 1.196111719254033
Energy: 1.2460373242755582
Energy: 1.1952892403448578
Energy: 1.2460373242755582
Energy: 1.1955149511601117
Energy: 1.1848044379460483
Energy: 1.195602028307604
Energy: 1.1848044379460483
Energy: 1.2454677844596682
Energy: 1.2455682928340719
Energy: 1.272417693056987
Energy: 1.2455682928340719
Energy: 1.3913750605319155
Energy: 1.2452434395869005
Energy: 1.3087968020358955
Energy: 1.2452434395869005
Energy: 1.1801923073191947
Energy: 1.1948829181746934
Energy: 1.2463870185786208
Energy: 1.1948829181746934
Energy: 1.233208963043581
Energy: 1.1846579356162252
Energy: 1.5526865920388924
Energy: 1.1846579356162252
Energy: 1.1801253264084632
Energy: 1.1950582542469192
Energy: 1.2463965756075475
Energy: 1.1950582542469192
Energy: 1.3913750605335915
Energy: 1.2452443578196108
Energy: 1.3089068874746543
Energy: 1.2452443578196108
Energy: 1.2455829948625434
Energy: 1.2457122047262383
Energy: 1.2724836875486196
Energy: 1.2457122047245623
Energy: 1.195516201011558
Energy: 1.1847696728358401
Energy: 1.1954508578540297
Energy: 1.1847696728358401
Energy: 1.1959788072532909
Energy: 1.245978043326654
Energy: 1.1954129632182373
Energy: 1.245978043326654
Energy: 1.2728182840606896
Energy: 1.2454757360510404
Energy: 1.3895116870826023
Energy: 1.2454757360510404

minimum gb energy = 1.1801253264084632 eV
minimum distance =  2.28675575197542 Angstroms
sigma value = 17


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

Energy: 1.4187571495843725
Energy: 1.2189634185453688
Energy: 1.7822892506340333
Energy: 1.2189634185443328
Energy: 1.3134327364297709
Energy: 1.2241815286460198
Energy: 1.296464854461591
Energy: 1.2241815286470559
Energy: 1.2460196289444734
Energy: 1.2232959615569752
Energy: 1.2374053560508163
Energy: 1.2232959615559391
Energy: 1.273955359596026
Energy: 1.2346744305139767
Energy: 1.3800731384255476
Energy: 1.2346744305160486
Energy: 1.252454947113746
Energy: 1.2176705751187866
Energy: 1.2411727082856208
Energy: 1.2176705751187866
Energy: 1.2619458782420006
Energy: 1.249200868640041
Energy: 1.2412040737914336
Energy: 1.249200868639005
Energy: 1.227282273511831
Energy: 1.2304753757890536
Energy: 1.2180952448840348
Energy: 1.2304753757890536
Energy: 1.2254448358822052
Energy: 1.2304364020095486
Energy: 1.2515212587192275
Energy: 1.2304364020095486
Energy: 1.4511000662693916
Energy: 1.2067112652229413
Energy: 1.3915619204444487
Energy: 1.2067112652208691
Energy: 1.4908547263637
Energy: 1.2069325643652002
Energy: 1.3912538485492423
Energy: 1.2069325643641644
Energy: 1.2857490625101615
Energy: 1.2108049671496586
Energy: 1.2518842722970902
Energy: 1.2108049671486227
Energy: 1.2825611386613451
Energy: 1.2110581624740053
Energy: 1.250224238172551
Energy: 1.2110581624729695
Energy: 1.2702375195988125
Energy: 1.2361788273262806
Energy: 1.2414609895742463
Energy: 1.2361788273262806
Energy: 1.2267277926001268
Energy: 1.2178670484879357
Energy: 1.240196007282636
Energy: 1.2178670484889715
Energy: 1.2256710695454485
Energy: 1.2569751542864218
Energy: 1.2452647041419973
Energy: 1.2569751542864218
Energy: 1.2286077622079044
Energy: 1.2305310886116125
Energy: 1.2371914608369308
Energy: 1.2305310886105767
Energy: 1.377238723171058
Energy: 1.2124769886275948
Energy: 1.276242372913106
Energy: 1.2124769886286308
Energy: 1.2795560302209144
Energy: 1.2199281876281618
Energy: 1.4726108439170726
Energy: 1.2199281876291976
Energy: 1.2804943531124828
Energy: 1.2009057763217672
Energy: 1.2765805006432953
Energy: 1.2009057763196953
Energy: 1.5908743438645034
Energy: 1.215502966099117
Energy: 1.2814224047948028
Energy: 1.215502966099117
Energy: 1.2583466602064548
Energy: 1.328622698964165
Energy: 1.3699700512317476
Energy: 1.328622698963129
Energy: 1.2265338436561548
Energy: 1.2180737701866717
Energy: 1.225077580843202
Energy: 1.2180737701866717
Energy: 1.3248667261179388
Energy: 1.3025900491991556
Energy: 1.2766230645078838
Energy: 1.3025900492012277
Energy: 1.2192958265225855
Energy: 1.231111509029837
Energy: 1.205320713534906
Energy: 1.2311115090308729
Energy: 1.220656249446672
Energy: 1.2579981673839924
Energy: 1.2924644069265643
Energy: 1.2579981673850287
Energy: 1.2476492630332863
Energy: 1.218284313330624
Energy: 1.224062050895027
Energy: 1.21828431333166
Energy: 1.330683831428278
Energy: 1.218457826531133
Energy: 1.2868196794796753
Energy: 1.218457826529061
Energy: 1.383837891979999
Energy: 1.1926589207494882
Energy: 1.6599396988145536
Energy: 1.192658920750524
Energy: 1.3888272072863932
Energy: 1.1933445255034179
Energy: 1.5032565050457365
Energy: 1.1933445255013457
Energy: 1.2460769153000235
Energy: 1.2185581208650935
Energy: 1.224279182058781
Energy: 1.2185581208640577
Energy: 1.2491708192342372
Energy: 1.2186774350974423
Energy: 1.286976376933995
Energy: 1.2186774350964062
Energy: 1.2191812188096516
Energy: 1.2560079766553491
Energy: 1.2484234594022832
Energy: 1.2560079766532772
Energy: 1.2207257625659647
Energy: 1.2315261134018338
Energy: 1.2032452407664262
Energy: 1.2315261134007978
Energy: 1.3019236235331941
Energy: 1.2347135274964598
Energy: 1.2256251684643444
Energy: 1.2347135274985317
Energy: 1.2253309764671836
Energy: 1.218779732338329
Energy: 1.2582264176620028
Energy: 1.218779732337293
Energy: 1.3345538808136697
Energy: 1.1987400730986262
Energy: 1.3714976363258145
Energy: 1.1987400730986262
Energy: 1.644673532268501
Energy: 1.2101446194769472
Energy: 1.2811948994588254
Energy: 1.2101446194769472
Energy: 1.378592497473008
Energy: 1.2001315734175944
Energy: 1.2939634383580143
Energy: 1.2001315734175944

minimum gb energy = 1.1926589207494882 eV
minimum distance =  2.28195676880312 Angstroms
sigma value = 89


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

Energy: 1.3183166360199905
Energy: 1.1369074500753649
Energy: 1.5232704495139708
Energy: 1.1369074500756422
Energy: 1.2192021831016355
Energy: 1.1699486170956557
Energy: 1.272213071173448
Energy: 1.1699486170956557
Energy: 1.3418479400253371
Energy: 1.1279379248034327
Energy: 1.1420524923882691
Energy: 1.12793792480371
Energy: 1.1898529595031444
Energy: 1.1984653813788175
Energy: 1.341987869795355
Energy: 1.1984653813788175
Energy: 1.2057479970084886
Energy: 1.1836987901375389
Energy: 1.1853134235038147
Energy: 1.1836987901370153
Energy: 1.1824099785894968
Energy: 1.356352488491431
Energy: 1.185291492065876
Energy: 1.3563524884906302
Energy: 1.185274030208858
Energy: 1.1280738576817388
Energy: 1.1850568512443862
Energy: 1.1280738576820164
Energy: 1.1835231616467952
Energy: 1.1956146681136992
Energy: 1.3444877557961885
Energy: 1.1956146681136992
Energy: 1.3431641416851519
Energy: 1.18389481914855
Energy: 1.122573408284285
Energy: 1.1838948191479957
Energy: 1.1827353335502637
Energy: 1.184714624710188
Energy: 1.1213491963480504
Energy: 1.184714624710188
Energy: 1.2629941720262468
Energy: 1.1278988197975117
Energy: 1.3443972306843406
Energy: 1.1278988197975117
Energy: 1.2628390737784372
Energy: 1.1289069338095727
Energy: 1.3443707287413582
Energy: 1.1289069338092954
Energy: 1.342962706230274
Energy: 1.1840634489079243
Energy: 1.1230216848338865
Energy: 1.1840634489076471
Energy: 1.3415868862926723
Energy: 1.1849799798927485
Energy: 1.121232596828521
Energy: 1.1849799798927485
Energy: 1.1849281278931685
Energy: 1.1838813037255718
Energy: 1.344419901026585
Energy: 1.1838813037252944

minimum gb energy = 1.121232596828521 eV
minimum distance =  2.28424828235533 Angstroms
sigma value = 13


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

Energy: 1.246445572678825
Energy: 1.118777778546736
Energy: 1.5868007568098565
Energy: 1.118777778546736
Energy: 1.1954350112252252
Energy: 1.1198110279434415
Energy: 1.1727147409152925
Energy: 1.1198110279434415
Energy: 1.208124481762855
Energy: 1.102857080214921
Energy: 1.226636287716957
Energy: 1.102857080214921
Energy: 1.1974499262366791
Energy: 1.1067128582578996
Energy: 1.1987115955553513
Energy: 1.1067128582601717
Energy: 1.1361397917103448
Energy: 1.1199125336188764
Energy: 1.14789910881511
Energy: 1.1199125336188764
Energy: 1.2680829115846843
Energy: 1.1175161121239006
Energy: 1.2079147718480474
Energy: 1.1175161121227644
Energy: 1.1497015422790764
Energy: 1.0863010580435828
Energy: 1.1598369383234384
Energy: 1.086301058044719
Energy: 1.148365887009263
Energy: 1.1251277230153758
Energy: 1.1461111224250906
Energy: 1.125127723016512
Energy: 1.146073083410344
Energy: 1.117401964624936
Energy: 1.12611431360724
Energy: 1.1174019646226636
Energy: 1.271777334280586
Energy: 1.1194861824645228
Energy: 1.2244261654639736
Energy: 1.1194861824645228
Energy: 1.1983467028447523
Energy: 1.1000788653893296
Energy: 1.3039835791195777
Energy: 1.1000788653904658
Energy: 1.1986368065826971
Energy: 1.1024582659290447
Energy: 1.1363058921999087
Energy: 1.102458265930181
Energy: 1.1910698122199466
Energy: 1.0992080107351483
Energy: 1.1766076723300454
Energy: 1.0992080107374205
Energy: 1.1430676479510118
Energy: 1.1014547603828344
Energy: 1.2996426661778973
Energy: 1.1014547603816984
Energy: 1.1984748222344441
Energy: 1.1000144771898637
Energy: 1.1790725693326096
Energy: 1.1000144771887277
Energy: 1.1984009805961124
Energy: 1.10204758905027
Energy: 1.2058449935915811
Energy: 1.1020475890491337
Energy: 1.208097686571983
Energy: 1.1174295958110039
Energy: 1.126024444696539
Energy: 1.1174295958110039
Energy: 1.1478255964769322
Energy: 1.1196330454762868
Energy: 1.2251090916829683
Energy: 1.1196330454762868
Energy: 1.1490508105942212
Energy: 1.087100097271495
Energy: 1.1480109700686747
Energy: 1.0871000972703588
Energy: 1.1487676389240293
Energy: 1.0867575970677892
Energy: 1.148998474041801
Energy: 1.0867575970677892
Energy: 1.2251214277976836
Energy: 1.1200671140480003
Energy: 1.148449561567742
Energy: 1.1200671140480003
Energy: 1.1267099273755568
Energy: 1.117230379724914
Energy: 1.1989330919653898
Energy: 1.117230379724914
Energy: 1.2083533597559275
Energy: 1.102776677507159
Energy: 1.1989358691642251
Energy: 1.1027766775037506
Energy: 1.2032187885627599
Energy: 1.1000564723952526
Energy: 1.1980136099198337
Energy: 1.1000564723952526
Energy: 1.249553848986202
Energy: 1.1158697607113401
Energy: 1.2148278375113488
Energy: 1.1158697607113401
Energy: 1.2183695250475446
Energy: 1.1146918031236794
Energy: 1.3273299268059067
Energy: 1.1146918031248156
Energy: 1.140849362711453
Energy: 1.1026701002070445
Energy: 1.198852183676695
Energy: 1.1026701002070445
Energy: 1.2024019298796818
Energy: 1.0999368795781272
Energy: 1.1981397767931394
Energy: 1.0999368795781272
Energy: 1.224577576975752
Energy: 1.1195082221892985
Energy: 1.2428270019597676
Energy: 1.1195082221904347
Energy: 1.1266882975333903
Energy: 1.1173174584944403
Energy: 1.145672341103041
Energy: 1.1173174584944403
Energy: 1.1464749571992137
Energy: 1.1255960815215613
Energy: 1.148149785811086
Energy: 1.1255960815215613
Energy: 1.158324366997694
Energy: 1.0864237842233908
Energy: 1.1495344064195034
Energy: 1.0864237842233908
Energy: 1.1542789046613664
Energy: 1.117313525623453
Energy: 1.2356488030520036
Energy: 1.1173135256245892
Energy: 1.148045888603019
Energy: 1.1197769619742262
Energy: 1.1361545209068793
Energy: 1.1197769619742262
Energy: 1.1900528710055567
Energy: 1.183690694158956
Energy: 1.1769177716092265
Energy: 1.1836906941612284

minimum gb energy = 1.0863010580435828 eV
minimum distance =  2.28858222833401 Angstroms
sigma value = 37


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

Energy: 1.1888859217412318
Energy: 1.032230867766129
Energy: 1.4290219036692766
Energy: 1.0322308677659513
Energy: 1.2170940302437534
Energy: 1.0519050735345865
Energy: 1.1087300217506664
Energy: 1.0519050735343864
Energy: 1.2253065832638765
Energy: 1.0157991284814198
Energy: 1.187863503223168
Energy: 1.015799128480842
Energy: 1.1477192814458204
Energy: 1.0315106296617391
Energy: 1.1086278823779383
Energy: 1.0315106296617391
Energy: 1.1031781821346724
Energy: 1.0137872990036754
Energy: 1.2144548635697976
Energy: 1.0137872990034755
Energy: 1.1908034063378392
Energy: 1.0563075657085097
Energy: 1.1289800223052773
Energy: 1.0563075657083099
Energy: 1.105827894842718
Energy: 1.0158075478903168
Energy: 1.1000774250199286
Energy: 1.0158075478903168
Energy: 1.1051826175157433
Energy: 1.1564630373971014
Energy: 1.1244263164945973
Energy: 1.156463037397479
Energy: 1.1124905869432342
Energy: 1.0138172670135313
Energy: 1.1243559536421635
Energy: 1.0138172670133314
Energy: 1.1901431376182399
Energy: 1.0562303247134053
Energy: 1.124995579352994
Energy: 1.0562303247128277
Energy: 1.0752292497083071
Energy: 1.0157083594585559
Energy: 1.1623268800150905
Energy: 1.0157083594581782
Energy: 1.0851566123020906
Energy: 1.0579933996180713
Energy: 1.1703273593922234
Energy: 1.0579933996180713
Energy: 1.2253417949904721
Energy: 1.0140007718810817
Energy: 1.1348644962689092
Energy: 1.0140007718810817
Energy: 1.0702381234613705
Energy: 1.016277976521968
Energy: 1.1366233862632107
Energy: 1.016277976522168
Energy: 1.1391628329134378
Energy: 1.031209048291295
Energy: 1.2128024303538925
Energy: 1.031209048291295
Energy: 1.1065221066900994
Energy: 1.0387502918204625
Energy: 1.1668790004302705
Energy: 1.0387502918210625
Energy: 1.225577578670945
Energy: 1.013993456765172
Energy: 1.1349315765331531
Energy: 1.0139934567649944
Energy: 1.1474140013393128
Energy: 1.0161357666096555
Energy: 1.1362430024581631
Energy: 1.0161357666096555
Energy: 1.0753721158266043
Energy: 1.0157021496074863
Energy: 1.2130609042347111
Energy: 1.0157021496074863
Energy: 1.0754188913736598
Energy: 1.0575147245181251
Energy: 1.2145312832218826
Energy: 1.0575147245179473

minimum gb energy = 1.0137872990034755 eV
minimum distance =  2.29662429851059 Angstroms
sigma value = 25


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

Energy: 1.1192770656332565
Energy: 0.9441367111299718
Energy: 1.2615270915393517
Energy: 0.9441367111299718
Energy: 0.995086929979469
Energy: 0.9717727067106565
Energy: 1.0348407521836827
Energy: 0.9717727067106565
Energy: 1.091137217053764
Energy: 0.9282607783194522
Energy: 1.0921367787325396
Energy: 0.9282607783194522
Energy: 1.0408572910095621
Energy: 0.9798708404546749
Energy: 1.0347584908592042
Energy: 0.9798708404531485
Energy: 1.045222026019847
Energy: 0.9213543677511691
Energy: 1.0799458443886023
Energy: 0.9213543677511691
Energy: 1.041113336414432
Energy: 0.9406862289955592
Energy: 1.0681226266612527
Energy: 0.9406862289940328
Energy: 1.0203638086160929
Energy: 0.9211886973788168
Energy: 1.0455322530507838
Energy: 0.9211886973788168
Energy: 1.0451358947930662
Energy: 0.9443171254579357
Energy: 1.0822433013763995
Energy: 0.9443171254579357
Energy: 1.0153549976867449
Energy: 0.9215845602033282
Energy: 1.0369292018333593
Energy: 0.9215845602033282
Energy: 1.0633717502490296
Energy: 0.9962661804755842
Energy: 1.046539079780698
Energy: 0.9962661804755842
Energy: 1.007453164730678
Energy: 0.9210204896091345
Energy: 1.0446592682384113
Energy: 0.9210204896091345
Energy: 1.0421940665278884
Energy: 0.9442940102947777
Energy: 1.06778131199956
Energy: 0.9442940102932512
Energy: 1.0231824276977337
Energy: 0.9216731352331182
Energy: 1.0187181319800729
Energy: 0.9216731352331182
Energy: 1.1159502065379985
Energy: 0.9437670731062157
Energy: 1.0090864281673637
Energy: 0.9437670731062157
Energy: 0.9927588434905769
Energy: 0.92115081986277
Energy: 1.082308803625383
Energy: 0.92115081986277
Energy: 1.016962874604808
Energy: 0.9212548701123714
Energy: 1.033654875630314
Energy: 0.9212548701123714
Energy: 1.087593390060806
Energy: 0.9283619401611142
Energy: 1.0088362567947045
Energy: 0.9283619401611142
Energy: 0.9998665616861243
Energy: 0.9540322054095073
Energy: 1.0094319147814148
Energy: 0.9540322054079811
Energy: 1.0294312963570869
Energy: 0.9425128752649151
Energy: 1.0840110747254692
Energy: 0.9425128752633889
Energy: 1.0386481428979213
Energy: 0.9432148158355238
Energy: 1.0334250535322516
Energy: 0.9432148158355238
Energy: 1.0873775530501224
Energy: 0.9285414706209658
Energy: 1.0089539866185977
Energy: 0.9285414706209658
Energy: 1.0577513015886775
Energy: 0.9382501641460005
Energy: 1.0094421390414436
Energy: 0.9382501641460005
Energy: 0.9926658070921519
Energy: 0.9213155519646993
Energy: 1.079451414753656
Energy: 0.9213155519646993
Energy: 1.0403870280866507
Energy: 0.920891752184595
Energy: 1.0586051455674192
Energy: 0.920891752184595
Energy: 1.0242686548588955
Energy: 0.9216418112522482
Energy: 1.019069088316488
Energy: 0.9216418112522482
Energy: 1.092549984394882
Energy: 0.9434411111360421
Energy: 1.0093334429053697
Energy: 0.9434411111345157

minimum gb energy = 0.920891752184595 eV
minimum distance =  2.30606767865764 Angstroms
sigma value = 41


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

Energy: 1.0408494045991674
Energy: 0.8764722708539322
Energy: 1.1385573181429625
Energy: 0.8764722708526808
Energy: 0.9296093890859933
Energy: 0.8893290024608154
Energy: 0.9793134095129284
Energy: 0.8893290024608154
Energy: 0.9907980411154076
Energy: 0.8575693924186728
Energy: 0.9982065428861773
Energy: 0.8575693924186728
Energy: 0.9809046200259578
Energy: 0.9243688000850755
Energy: 0.9792879106887392
Energy: 0.9243688000850755
Energy: 0.9887482486636954
Energy: 0.847906134458869
Energy: 0.9822444570153215
Energy: 0.847906134458869
Energy: 0.9808463729163175
Energy: 0.8656022443918536
Energy: 0.9637377680556136
Energy: 0.8656022443918536
Energy: 0.9947106157212914
Energy: 0.8444743456333496
Energy: 0.9853110990297941
Energy: 0.8444743456346009
Energy: 0.980667562371837
Energy: 0.870131670407122
Energy: 0.963543716885156
Energy: 0.870131670407122
Energy: 0.9876450348786793
Energy: 0.8445262589186628
Energy: 0.9593794354351446
Energy: 0.8445262589199142
Energy: 0.9805858293888511
Energy: 0.9013782574806707
Energy: 0.9777062104934658
Energy: 0.9013782574819221
Energy: 0.9744931679633598
Energy: 0.844668793773506
Energy: 0.9627500226648239
Energy: 0.8446687937747573
Energy: 0.9687419742297971
Energy: 0.8881853616704983
Energy: 0.9777004056677814
Energy: 0.8881853616717496
Energy: 0.9813363653531458
Energy: 0.8446239406664626
Energy: 0.9558312173314059
Energy: 0.8446239406664626
Energy: 0.9804710564632113
Energy: 0.8581781690613616
Energy: 0.9670556375807221
Energy: 0.858178169062613
Energy: 0.9306728050742221
Energy: 0.8445564016266629
Energy: 0.963340199041848
Energy: 0.8445564016279141
Energy: 0.930629489807587
Energy: 0.8580546394604398
Energy: 0.9947442542177454
Energy: 0.8580546394604398
Energy: 0.9986008470493791
Energy: 0.844353082877202
Energy: 0.923328378533586
Energy: 0.844353082877202
Energy: 0.9772420602850467
Energy: 0.8442557466123601
Energy: 0.941341714193492
Energy: 0.8442557466123601
Energy: 0.9312706643881232
Energy: 0.8471837727754652
Energy: 0.9838717052549801
Energy: 0.8471837727754652
Energy: 0.9344386072329649
Energy: 0.9134542021616905
Energy: 0.9369061746273255
Energy: 0.9134542021591878
Energy: 0.988128009934995
Energy: 0.8563421930690178
Energy: 0.9407954729475064
Energy: 0.8563421930690178
Energy: 0.9318393848104057
Energy: 0.876586618579434
Energy: 0.9756585622749542
Energy: 0.876586618579434
Energy: 0.9661784967907404
Energy: 0.8754119720873768
Energy: 0.9863713799694963
Energy: 0.8754119720873768
Energy: 0.9909710185387524
Energy: 0.878878334362387
Energy: 0.9624944058341658
Energy: 0.878878334362387
Energy: 0.9877573281111159
Energy: 0.8563389359525053
Energy: 0.9408680792633723
Energy: 0.8563389359525053
Energy: 0.9773679159786095
Energy: 0.8575737032972424
Energy: 0.9755197194559285
Energy: 0.8575737032972424
Energy: 0.9313188143486348
Energy: 0.8473349083570278
Energy: 0.9863714055765292
Energy: 0.8473349083582792
Energy: 0.9654034319340228
Energy: 0.8553464492241944
Energy: 0.9947469298258007
Energy: 0.8553464492241944
Energy: 0.9935635594758084
Energy: 0.844263306237262
Energy: 0.923474151874737
Energy: 0.844263306237262
Energy: 0.9808074998831856
Energy: 0.843953030409997
Energy: 0.9668417501576578
Energy: 0.843953030409997
Energy: 0.9309719175088879
Energy: 0.8444053554177438
Energy: 0.9584258962859251
Energy: 0.8444053554164924
Energy: 0.9306768241516293
Energy: 0.8577047565586327
Energy: 1.0022732761814341
Energy: 0.8577047565586327

minimum gb energy = 0.843953030409997 eV
minimum distance =  2.31355145808691 Angstroms
sigma value = 15


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

Energy: 0.9682634853718847
Energy: 0.8145080423353708
Energy: 1.0432791978459108
Energy: 0.8145080423353708
Energy: 0.9229929256300302
Energy: 0.8672407534000299
Energy: 0.9142887546488347
Energy: 0.8672407534000299
Energy: 0.9136227588721845
Energy: 0.8045113020190872
Energy: 0.9430549809971672
Energy: 0.8045113020201473
Energy: 0.9106827342742065
Energy: 0.8165925366890803
Energy: 0.9143332428964581
Energy: 0.8165925366890803
Energy: 0.9296885326398912
Energy: 0.7928917760200097
Energy: 0.9073168696541837
Energy: 0.7928917760210699
Energy: 0.9104822809945486
Energy: 0.852076739317172
Energy: 0.9121558937865142
Energy: 0.852076739317172
Energy: 0.9176393562426718
Energy: 0.78282654044058
Energy: 0.9397207886545538
Energy: 0.78282654044058
Energy: 0.9030017960239908
Energy: 0.852555738287829
Energy: 0.9122625085240796
Energy: 0.8525557382867691
Energy: 0.9323240384630697
Energy: 0.7816906597802684
Energy: 0.8945014197985027
Energy: 0.7816906597792083
Energy: 0.9028514505390892
Energy: 0.7984003428031565
Energy: 0.9144633086358896
Energy: 0.7984003428031565
Energy: 0.9062230807590841
Energy: 0.7817919041179727
Energy: 0.9110898283349974
Energy: 0.7817919041179727
Energy: 0.9125646095974103
Energy: 0.8181515863350677
Energy: 0.9140017600999434
Energy: 0.8181515863350677
Energy: 0.9131972024336951
Energy: 0.7818831458517778
Energy: 0.8940040893957404
Energy: 0.781883145853898
Energy: 0.9127612482164924
Energy: 0.8096938954265335
Energy: 0.9073199084550909
Energy: 0.8096938954275935
Energy: 0.9078487872555736
Energy: 0.7819371229591143
Energy: 0.8975905989831634
Energy: 0.7819371229591143
Energy: 0.9120861555856843
Energy: 0.809689047159511
Energy: 0.9140473642471922
Energy: 0.809689047159511
Energy: 0.9099720475841901
Energy: 0.7818080400990541
Energy: 0.9058499388957049
Energy: 0.7818080401011742
Energy: 0.919773048249226
Energy: 0.7905598011507906
Energy: 0.8767410084465342
Energy: 0.7905598011497306
Energy: 0.8713744115902611
Energy: 0.7816527206259907
Energy: 0.8981833807012394
Energy: 0.7816527206249305
Energy: 0.9053466398721111
Energy: 0.7981040237539627
Energy: 0.9079775158815186
Energy: 0.7981040237539627
Energy: 0.9214314562931504
Energy: 0.7832370470581677
Energy: 0.878855604874427
Energy: 0.7832370470571075
Energy: 0.921819101737286
Energy: 0.845126427955023
Energy: 0.903823725351858
Energy: 0.8451264279529029
Energy: 0.8800014350782491
Energy: 0.7927674107003274
Energy: 0.9086021417155937
Energy: 0.7927674107013875
Energy: 0.9136581343412502
Energy: 0.8574243429431342
Energy: 0.920253176186449
Energy: 0.8574243429441943
Energy: 0.9116249137661259
Energy: 0.8013345975498342
Energy: 0.8942414711097928
Energy: 0.8013345975487741
Energy: 0.8788171607123129
Energy: 0.8199481576438449
Energy: 0.9220128169262776
Energy: 0.8199481576449049
Energy: 0.9048978258675995
Energy: 0.8141224481740911
Energy: 0.9103817384597253
Energy: 0.8141224481740911
Energy: 0.9230673423439761
Energy: 0.8258052328646581
Energy: 0.9204359912153076
Energy: 0.8258052328646581
Energy: 0.9180651877019748
Energy: 0.801315930356902
Energy: 0.8942563571364824
Energy: 0.8013159303579621
Energy: 0.9223252375956771
Energy: 0.8035504671183233
Energy: 0.9219781821987918
Energy: 0.8035504671162031
Energy: 0.879979278393506
Energy: 0.7928645164949165
Energy: 0.9100145070659492
Energy: 0.7928645164949165
Energy: 0.9135714711491788
Energy: 0.803309543655926
Energy: 0.9083636040735339
Energy: 0.803309543656986
Energy: 0.9171224070309211
Energy: 0.7831808759435465
Energy: 0.8770224712175424
Energy: 0.7831808759414264
Energy: 0.9199774392934816
Energy: 0.7882773549832266
Energy: 0.9044719699545464
Energy: 0.7882773549800464
Energy: 0.8710795508298644
Energy: 0.7818862106739111
Energy: 0.9250738682044841
Energy: 0.7818862106717911
Energy: 0.9062517096751572
Energy: 0.7976012682962508
Energy: 0.9145744128543654
Energy: 0.7976012682962508
Energy: 0.9024071413947814
Energy: 0.7820652094082723
Energy: 0.9061796331351939
Energy: 0.7820652094072124

minimum gb energy = 0.7816527206249305 eV
minimum distance =  2.31690174155759 Angstroms
sigma value = 85


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

Energy: 0.9512549529006533
Energy: 0.7585934940877161
Energy: 0.9207416928718256
Energy: 0.7585934940867967
Energy: 0.8296814064732931
Energy: 0.7608832578948848
Energy: 0.8352755045615866
Energy: 0.7608832578948848
Energy: 0.8283973474022148
Energy: 0.756936550092163
Energy: 0.9149313252613794
Energy: 0.7569365500930825
Energy: 0.8222693867199968
Energy: 0.7582330319541519
Energy: 0.8351523035164804
Energy: 0.7582330319541519
Energy: 0.897442699288905
Energy: 0.7241117315054831
Energy: 0.8284657533565571
Energy: 0.7241117315054831
Energy: 0.8223404562982741
Energy: 0.6707305620859032
Energy: 0.8296144549470227
Energy: 0.6707305620859032
Energy: 0.8416978482596287
Energy: 0.7256119863164505
Energy: 0.8770788636822381
Energy: 0.7256119863164505
Energy: 0.8324377406843102
Energy: 0.7693035198868818
Energy: 0.8295243665483625
Energy: 0.7693035198878011
Energy: 0.8816743989245492
Energy: 0.7078411266915154
Energy: 0.8570643027307638
Energy: 0.7078411266924348
Energy: 0.832549091275589
Energy: 0.7817420686099847
Energy: 0.8361483344002408
Energy: 0.7817420686099847
Energy: 0.8175660911144176
Energy: 0.7078433994507342
Energy: 0.8687632967540662
Energy: 0.7078433994507342
Energy: 0.85253669257176
Energy: 0.7214608358066728
Energy: 0.835623134189691
Energy: 0.7214608358075922
Energy: 0.8411019116612583
Energy: 0.7080966990287348
Energy: 0.8346808071891499
Energy: 0.7080966990287348
Energy: 0.8522917231243016
Energy: 0.7528194020500952
Energy: 0.8511686020750014
Energy: 0.7528194020491756
Energy: 0.8140246817994887
Energy: 0.708044587601065
Energy: 0.8451409748106913
Energy: 0.708044587601065
Energy: 0.8463071897430895
Energy: 0.7520162651733765
Energy: 0.850865816412445
Energy: 0.7520162651733765
Energy: 0.8178039222686649
Energy: 0.7078968213683285
Energy: 0.8343473794724204
Energy: 0.7078968213692479
Energy: 0.8520685393596752
Energy: 0.7517437510205578
Energy: 0.8507916572012122
Energy: 0.7517437510214773
Energy: 0.8298312069077999
Energy: 0.7079222147661657
Energy: 0.8400530950682829
Energy: 0.7079222147661657
Energy: 0.8175984006477581
Energy: 0.7208701475064757
Energy: 0.8497340081337855
Energy: 0.7208701475055562
Energy: 0.8166212289974194
Energy: 0.7079069617510774
Energy: 0.8072185038023334
Energy: 0.7079069617510774
Energy: 0.8329416476417937
Energy: 0.7226678586580234
Energy: 0.8363580048568683
Energy: 0.722667858657104
Energy: 0.8124297835818473
Energy: 0.7073646276206524
Energy: 0.854775523823287
Energy: 0.7073646276206524
Energy: 0.8326073274389904
Energy: 0.7685345047968095
Energy: 0.8251647834322436
Energy: 0.7685345047977291
Energy: 0.8445216292607005
Energy: 0.7248287543583801
Energy: 0.8113026335228448
Energy: 0.7248287543583801
Energy: 0.8223678986004626
Energy: 0.7611349823303585
Energy: 0.8297058687064356
Energy: 0.7611349823303585
Energy: 0.8309290996243455
Energy: 0.7240744429227335
Energy: 0.829154264109659
Energy: 0.7240744429227335
Energy: 0.841772980475224
Energy: 0.7644383347271788
Energy: 0.816206466649648
Energy: 0.7644383347271788
Energy: 0.8268935076272881
Energy: 0.7568071916058297
Energy: 0.8294113068295426
Energy: 0.7568071916049104
Energy: 0.8122980366888509
Energy: 0.7605822158818356
Energy: 0.8353019079951868
Energy: 0.7605822158818356
Energy: 0.8642935378348198
Energy: 0.7585203664768915
Energy: 0.8308136427978658
Energy: 0.7585203664778108
Energy: 0.8626147523646734
Energy: 0.7265092336109007
Energy: 0.8158206545524375
Energy: 0.7265092336109007
Energy: 0.8268085758017801
Energy: 0.7568452613417677
Energy: 0.8296101116119503
Energy: 0.7568452613417677
Energy: 0.8221548702851584
Energy: 0.7074292080152321
Energy: 0.8352591472064693
Energy: 0.7074292080152321
Energy: 0.8309310833844519
Energy: 0.7241080624700718
Energy: 0.8305239401665543
Energy: 0.7241080624700718
Energy: 0.8416291350346748
Energy: 0.7076637963756929
Energy: 0.825246214788015
Energy: 0.7076637963747734
Energy: 0.8417443879426009
Energy: 0.7247382336437542
Energy: 0.8111631343918848
Energy: 0.7247382336437542
Energy: 0.8331470137602432
Energy: 0.7072167626598308
Energy: 0.8297048696560847
Energy: 0.7072167626589112
Energy: 0.8125001032970837
Energy: 0.7075085318773974
Energy: 0.8545888398101642
Energy: 0.7075085318773974
Energy: 0.8351798023632789
Energy: 0.707053257018991
Energy: 0.8498996078098676
Energy: 0.707053257018991
Energy: 0.8148791089569956
Energy: 0.707380398674579
Energy: 0.8071738356772642
Energy: 0.7073803986754984
Energy: 0.8525173061293881
Energy: 0.7226523432251429
Energy: 0.8359991961412231
Energy: 0.7226523432242236
Energy: 0.8296829008831901
Energy: 0.7065809334046809
Energy: 0.8369440389166645
Energy: 0.7065809334046809

minimum gb energy = 0.6707305620859032 eV
minimum distance =  2.32513769200407 Angstroms
sigma value = 113


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

Energy: 0.014952163269404038
Energy: 0.015171247236096256
Energy: 1.4752291032411946
Energy: 0.015171247236096256
Energy: 0.015607932483699107
Energy: 0.6811048627857503
Energy: 0.015607932482324826
Energy: 0.6811048627857503
Energy: 1.3319307043671063
Energy: 0.015171247235389481
Energy: 0.014952163269404038
Energy: 0.015171247236096256
Energy: 0.015607932483699107
Energy: 0.6811048627850437
Energy: 0.015607932482324826
Energy: 0.6811048627850437
Energy: 0.014952163269404038
Energy: 0.015171247236096256
Energy: 1.4752291032411946
Energy: 0.015171247236096256
Energy: 0.015607932482992333
Energy: 0.6811048627850437
Energy: 0.015607932482324826
Energy: 0.6811048627850437

minimum gb energy = 0.014952163269404038 eV
minimum distance =  2.45802806549909 Angstroms
sigma value = 1