Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.653344042599202
cohesive_energy=3.2744465747796214
mass=63.546
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: 0.01241736464036856
Energy: 0.012819108333109251
Energy: 1.303305774670682
Energy: 0.012819108333109251
Energy: 0.012819108333109251
Energy: 1.3324626512726157
Energy: 0.012819108333109251
Energy: 1.3324626512726157
Energy: 1.3033057746712962
Energy: 0.012819108333109251
Energy: 0.01241736464036856
Energy: 0.012819108333109251
Energy: 0.012819108333109251
Energy: 1.3324626512731956
Energy: 0.012819108333109251
Energy: 1.3324626512731956

minimum gb energy = 0.01241736464036856 eV
minimum distance =  2.46725818150496 Angstroms
sigma value = 1


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

Energy: 1.1717093159010303
Energy: 1.375400572002931
Energy: 1.184806641529314
Energy: 1.3754005720036757
Energy: 1.2584518069616235
Energy: 1.3660529988270071
Energy: 1.2575415715132494
Energy: 1.3660529988270071
Energy: 1.1315540621641476
Energy: 1.3584133037787107
Energy: 1.1262086010576648
Energy: 1.3584133037802004
Energy: 1.2374048832102829
Energy: 1.3878494315415
Energy: 1.2517860915964925
Energy: 1.387849431540755
Energy: 1.23963747711975
Energy: 1.3758380185557837
Energy: 1.2368196149684694
Energy: 1.3758380185565284
Energy: 1.1933744678949714
Energy: 1.2618872844604472
Energy: 1.226793854828377
Energy: 1.261887284458213
Energy: 1.2589806428188277
Energy: 1.3582584505145348
Energy: 1.1949612737948219
Energy: 1.3582584505145348
Energy: 1.1075053150323073
Energy: 1.375806117041391
Energy: 1.216703608428743
Energy: 1.375806117041391
Energy: 1.2515548086487043
Energy: 1.1949982043962755
Energy: 1.2444185589275985
Energy: 1.1949982043970204
Energy: 1.2318689814394526
Energy: 1.3580326990908254
Energy: 1.0942611435923268
Energy: 1.3580326990908254
Energy: 1.2494169421901888
Energy: 1.336168327085466
Energy: 1.2515343641377932
Energy: 1.3361683270891562
Energy: 1.2179053254176009
Energy: 1.3757834954225252
Energy: 1.249404194248115
Energy: 1.375783495424015
Energy: 1.2564347480547906
Energy: 1.3580664271780027
Energy: 1.188355004564692
Energy: 1.3580664271787475
Energy: 1.1258214641413622
Energy: 1.3675507078761449
Energy: 1.2437063510839692
Energy: 1.3675507078754001
Energy: 1.1769345760984748
Energy: 1.3760056959549647
Energy: 1.25326298982809
Energy: 1.3760056959542197
Energy: 1.1685142924336809
Energy: 1.3753831672084806
Energy: 1.253496376822931
Energy: 1.3753831672084806
Energy: 1.126315080066599
Energy: 1.3583278407458172
Energy: 1.1073909760730722
Energy: 1.3583278407473065
Energy: 1.2583604440320972
Energy: 1.358438976136587
Energy: 1.2587609445083294
Energy: 1.3584389761373319
Energy: 1.1554721873121083
Energy: 1.3754415664392823
Energy: 1.2750065078229202
Energy: 1.375441566437048
Energy: 1.258103146532248
Energy: 1.1939983422378608
Energy: 1.2527455153003593
Energy: 1.1939983422348817
Energy: 1.2289532680408972
Energy: 1.3583149568422883
Energy: 1.0930383334458509
Energy: 1.3583149568430333
Energy: 1.2520527676496915
Energy: 1.3505857639850953
Energy: 1.2376243418779667
Energy: 1.350585763986585
Energy: 1.1766061748793182
Energy: 1.375755957239275
Energy: 1.1743145807320603
Energy: 1.37575595724002
Energy: 1.2267077202357213
Energy: 1.358924490338055
Energy: 1.1937368175275747
Energy: 1.3589244903388
Energy: 1.1948634183183002
Energy: 1.2613274889395432
Energy: 1.259407753143332
Energy: 1.2613274889395432
Energy: 1.1112899612944669
Energy: 1.3756874269513197
Energy: 1.1075192247813832
Energy: 1.3756874269513197
Energy: 1.2369904676583412
Energy: 1.3664605789692474
Energy: 1.2510923428343208
Energy: 1.3664605789699924
Energy: 1.0937603843367758
Energy: 1.3580959583521965
Energy: 1.125905294042156
Energy: 1.3580959583529413
Energy: 1.2571494709943676
Energy: 1.3699398245541212
Energy: 1.2492987849507093
Energy: 1.3699398245541212
Energy: 1.2193950606615271
Energy: 1.375413861811839
Energy: 1.2184576154020599
Energy: 1.375413861811839
Energy: 1.1869584723227442
Energy: 1.3661347406040774
Energy: 1.256175346239864
Energy: 1.3661347406040774
Energy: 1.2271613792113225
Energy: 1.3585690018468144
Energy: 1.125857513308314
Energy: 1.3585690018468144
Energy: 1.239804217786397
Energy: 1.387712092763251
Energy: 1.2543238858249792
Energy: 1.3877120927639954

minimum gb energy = 1.0930383334458509 eV
minimum distance =  2.27752979459673 Angstroms
sigma value = 1


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

Energy: 1.2429902319474042
Energy: 1.4884131841528467
Energy: 1.306395237607783
Energy: 1.4884131841528467
Energy: 1.3328125989051267
Energy: 1.4392120054599384
Energy: 1.3344422893932253
Energy: 1.4392120054599384
Energy: 1.1730791581848434
Energy: 1.4883472177872448
Energy: 1.2315019864329853
Energy: 1.4883472177889432
Energy: 1.3281708094922815
Energy: 1.426056664779658
Energy: 1.2751482598867399
Energy: 1.4260566647788087
Energy: 1.3286448995698987
Energy: 1.4634541370099832
Energy: 1.330061363836559
Energy: 1.4634541370099832
Energy: 1.3389767883215662
Energy: 1.4636755893244153
Energy: 1.3290534092654624
Energy: 1.4636755893227171
Energy: 1.3286327624561245
Energy: 1.4237520797323584
Energy: 1.2673975561972735
Energy: 1.4237520797298109
Energy: 1.172485281714807
Energy: 1.488357118417095
Energy: 1.2890701419630077
Energy: 1.4883571184179443
Energy: 1.3296767870821655
Energy: 1.2918928635508464
Energy: 1.3346080124505602
Energy: 1.2918928635533942
Energy: 1.3703012730681028
Energy: 1.488489198066955
Energy: 1.1655579564510734
Energy: 1.4884891980686534
Energy: 1.3282548292953689
Energy: 1.462179039504206
Energy: 1.3438650785607522
Energy: 1.462179039503357
Energy: 1.2518396869998218
Energy: 1.4760623464881448
Energy: 1.2315738548672284
Energy: 1.4760623464872957
Energy: 1.358257280908771
Energy: 1.4630541448970447
Energy: 1.326936227030445
Energy: 1.4630541449021013
Energy: 1.3583054446213048
Energy: 1.463139836594561
Energy: 1.3015849400849635
Energy: 1.46313983659541
Energy: 1.2516275637340035
Energy: 1.4757709078923584
Energy: 1.1929158365716144
Energy: 1.4757709078915096
Energy: 1.3282266995776357
Energy: 1.4621020845407893
Energy: 1.334989703241138
Energy: 1.4621020845407893
Energy: 1.370401112711594
Energy: 1.488755549478671
Energy: 1.2109333071362118
Energy: 1.4887555494803695
Energy: 1.3294732952391606
Energy: 1.2928040238285123
Energy: 1.334643634505547
Energy: 1.2928040238200202
Energy: 1.172472571930741
Energy: 1.4883867018691417
Energy: 1.2893137604999663
Energy: 1.4883867018682926
Energy: 1.3285975003047137
Energy: 1.423872424738595
Energy: 1.275565009133319
Energy: 1.4238724247428411
Energy: 1.3388430080947897
Energy: 1.463682528582989
Energy: 1.2949229918531897
Energy: 1.4636825285838384
Energy: 1.328669094996483
Energy: 1.4634639547331214
Energy: 1.2603997894203574
Energy: 1.4634639547297246
Energy: 1.3283384997770995
Energy: 1.425902167113508
Energy: 1.2670221338324565
Energy: 1.4259021671152066
Energy: 1.1730403606262025
Energy: 1.4883195347580793
Energy: 1.193596562379971
Energy: 1.488319534756381
Energy: 1.3328789468649749
Energy: 1.4392144580447537
Energy: 1.3344061661648594
Energy: 1.4392144580422064
Energy: 1.2429902319414603
Energy: 1.4884131841528467
Energy: 1.3113558908125647
Energy: 1.4884131841528467
Energy: 1.3328125989051267
Energy: 1.4392120054590893
Energy: 1.3344422893940744
Energy: 1.4392120054616369
Energy: 1.1730791581848434
Energy: 1.4883472177863954
Energy: 1.2710826753799997
Energy: 1.4883472177889432
Energy: 1.3281708094931306
Energy: 1.4260566647788087
Energy: 1.2802735388150301
Energy: 1.4260566647779596

minimum gb energy = 1.1655579564510734 eV
minimum distance =  2.268055025415 Angstroms
sigma value = 25


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

Energy: 1.5003380325188196
Energy: 1.5881245480661876
Energy: 1.392710335623325
Energy: 1.5881245480661876
Energy: 1.3711827257364193
Energy: 1.5684873262636672
Energy: 1.4449063853417188
Energy: 1.5684873262636672
Energy: 1.2661185538602453
Energy: 1.626318092181826
Energy: 1.4454820928994956
Energy: 1.6263180921828133
Energy: 1.4279665728686153
Energy: 1.5645546050234826
Energy: 1.3727000500158928
Energy: 1.5645546050215082
Energy: 1.3712407124951453
Energy: 1.5877348459874316
Energy: 1.4019827696767297
Energy: 1.5877348459874316
Energy: 1.4659452384381249
Energy: 1.6256942760977016
Energy: 1.4465255469555252
Energy: 1.6256942760977016
Energy: 1.4480174032653004
Energy: 1.4535414121157173
Energy: 1.4123157774450128
Energy: 1.4535414121157173
Energy: 1.4393692491568413
Energy: 1.5882193614124396
Energy: 1.2922295584366355
Energy: 1.5882193614114524
Energy: 1.4126090704302705
Energy: 1.5336527979972296
Energy: 1.4479176067734174
Energy: 1.5336527979972296
Energy: 1.4452069659156468
Energy: 1.6261948876776353
Energy: 1.3562067409617002
Energy: 1.6261948876776353
Energy: 1.3495782539383643
Energy: 1.5875147762727808
Energy: 1.4441179383114442
Energy: 1.5875147762717936
Energy: 1.3728694780800628
Energy: 1.587966640288015
Energy: 1.4436137559459707
Energy: 1.587966640288015
Energy: 1.4453859430175822
Energy: 1.5644078593208597
Energy: 1.3567176184097922
Energy: 1.5644078593208597
Energy: 1.4118990066337234
Energy: 1.4458156586473105
Energy: 1.4482096483029754
Energy: 1.4458156586463233
Energy: 1.3040701457692891
Energy: 1.588329922407706
Energy: 1.2907759635976694
Energy: 1.588329922407706
Energy: 1.4451237385105753
Energy: 1.453075265339283
Energy: 1.3716657557002174
Energy: 1.453075265339283
Energy: 1.2655442313488539
Energy: 1.6263029313059159
Energy: 1.265729253664674
Energy: 1.6263029313049286
Energy: 1.3726021568633482
Energy: 1.5879421881956295
Energy: 1.4273630621555025
Energy: 1.5879421881966165
Energy: 1.4264175461177497
Energy: 1.5653445930206247
Energy: 1.3712326745134078
Energy: 1.5653445930206247
Energy: 1.3703741838396364
Energy: 1.6255868942677512
Energy: 1.44911813021481
Energy: 1.6255868942677512
Energy: 1.4622279597433294
Energy: 1.5677705641026312
Energy: 1.4478159824735937
Energy: 1.5677705641026312
Energy: 1.4794138950240554
Energy: 1.5880817901129953
Energy: 1.433441733501712
Energy: 1.5880817901129953
Energy: 1.4474768156252444
Energy: 1.54279092431164
Energy: 1.4444367698365033
Energy: 1.54279092431164
Energy: 1.2665185746732797
Energy: 1.6262660484046216
Energy: 1.4451996576144794
Energy: 1.6262660484046216
Energy: 1.4442846701387433
Energy: 1.5803373903868703
Energy: 1.3733353322282265
Energy: 1.5803373903868703

minimum gb energy = 1.2655442313488539 eV
minimum distance =  2.25753636873386 Angstroms
sigma value = 9


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

Energy: 1.6656334497557523
Energy: 1.6284898182022478
Energy: 1.4613009966360213
Energy: 1.628489818232839
Energy: 1.5187496081777474
Energy: 1.6823237128370236
Energy: 1.55516109962814
Energy: 1.6823237128370236
Energy: 1.3705945499930685
Energy: 1.6287911054631636
Energy: 1.5533811550919197
Energy: 1.6287911054690514
Energy: 1.5800982178861007
Energy: 1.752773412756051
Energy: 1.4149027727509906
Energy: 1.752773412756051
Energy: 1.6132048477636913
Energy: 1.6823173539843383
Energy: 1.533946267251486
Energy: 1.6823173539843383
Energy: 1.3691916353495952
Energy: 1.5928870761758227
Energy: 1.4052032070576834
Energy: 1.5928870761770002
Energy: 1.5842338615995477
Energy: 1.4151561470176541
Energy: 1.4179166014011468
Energy: 1.4151561470188316
Energy: 1.4740588783423558
Energy: 1.5923696550407307
Energy: 1.4061406944342767
Energy: 1.5923696550384023
Energy: 1.5848269196581688
Energy: 1.6824866528727365
Energy: 1.5535178836557921
Energy: 1.6824866528727365
Energy: 1.5801087471111714
Energy: 1.5823879561071996
Energy: 1.4151704716733484
Energy: 1.5823879561071996
Energy: 1.4741754345350515
Energy: 1.7122974021810644
Energy: 1.553466236813276
Energy: 1.7122974021810644
Energy: 1.5797022057457317
Energy: 1.6101917038445746
Energy: 1.4149385365993734
Energy: 1.6101917038433966
Energy: 1.370119186018105
Energy: 1.6288815994731314
Energy: 1.4720405462988182
Energy: 1.6288815994778418
Energy: 1.481663642194032
Energy: 1.5942211661839927
Energy: 1.5552249211890685
Energy: 1.5942211661828152
Energy: 1.370121665276321
Energy: 1.6286211904816013
Energy: 1.4742919230229248
Energy: 1.6286211904674963
Energy: 1.57978148390913
Energy: 1.5821798859849214
Energy: 1.4151138024472645
Energy: 1.5821798859896319
Energy: 1.4742969599932558
Energy: 1.7122817212974213
Energy: 1.4879389545808748
Energy: 1.7122817212962436
Energy: 1.5797851733289356
Energy: 1.5822366917722857
Energy: 1.4151186614563298
Energy: 1.5822366917711082
Energy: 1.5849733801617658
Energy: 1.6825108446581198
Energy: 1.4877903004507105
Energy: 1.6825108446592973
Energy: 1.4740656389146702
Energy: 1.5924696340959663
Energy: 1.4061270335595712
Energy: 1.5924696340994993
Energy: 1.5843806992978873
Energy: 1.415155501388683
Energy: 1.4177453183205784
Energy: 1.4151555013910384

minimum gb energy = 1.3691916353495952 eV
minimum distance =  2.34321370645098 Angstroms
sigma value = 25


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

Energy: 1.5233537013348344
Energy: 1.850643008222375
Energy: 1.66892480258063
Energy: 1.850643008222375
Energy: 1.5008569162188705
Energy: 1.7121993134631759
Energy: 1.4820586332371446
Energy: 1.7121993134646323
Energy: 1.4840684329620033
Energy: 1.8876752585642853
Energy: 1.481919506173697
Energy: 1.8876752585642853
Energy: 1.519301904737701
Energy: 1.8600215467287842
Energy: 1.6102182572917316
Energy: 1.8600215467287842
Energy: 1.6108952825682015
Energy: 1.5002226696880736
Energy: 1.4824035409775258
Energy: 1.5002226696880736
Energy: 1.4820898820051063
Energy: 1.888874004846856
Energy: 1.4835731198164297
Energy: 1.888874004846856
Energy: 1.5346110721761226
Energy: 1.500203432050107
Energy: 1.482047590757273
Energy: 1.5002034320457378
Energy: 1.6096246669710825
Energy: 1.8517249181938935
Energy: 1.5187645099916653
Energy: 1.8517249181938935
Energy: 1.4819935910526003
Energy: 1.7115848666675484
Energy: 1.5008898443743024
Energy: 1.7115848666675484
Energy: 1.6700515263643025
Energy: 1.536776118733429
Energy: 1.4826692350788901
Energy: 1.5367761187581872
Energy: 1.59378371620556
Energy: 1.8525134801206375
Energy: 1.73325074023901
Energy: 1.8525134801206375
Energy: 1.4821729124969216
Energy: 1.5369886433580824
Energy: 1.6698840073518202
Energy: 1.5369886433580824
Energy: 1.6167866318165112
Energy: 1.5198048706717806
Energy: 1.4832915780320322
Energy: 1.5198048706732368
Energy: 1.4818769886818874
Energy: 1.5003116610937677
Energy: 1.519390379946272
Energy: 1.5003116610923113
Energy: 1.4817351077839152
Energy: 1.8520964696333733
Energy: 1.610842106431625
Energy: 1.8520964696333733
Energy: 1.4989247596387085
Energy: 1.5815958225265403
Energy: 1.4822005166942713
Energy: 1.581595822527997
Energy: 1.4821420828214
Energy: 1.606232316500404
Energy: 1.670346748313237
Energy: 1.606232316500404

minimum gb energy = 1.4817351077839152 eV
minimum distance =  2.3282349582392 Angstroms
sigma value = 17


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

Energy: 1.7399766770088616
Energy: 1.735757257797651
Energy: 1.8205131003360941
Energy: 1.7357572577984757
Energy: 1.6667873868601388
Energy: 1.6225631706693677
Energy: 1.529228106286587
Energy: 1.6225631706693677
Energy: 1.6545434496944988
Energy: 1.6288653427136037
Energy: 1.529200498454813
Energy: 1.6288653427111295
Energy: 1.533142793162835
Energy: 1.547868392343255
Energy: 1.6168020020237632
Energy: 1.547868392343255
Energy: 1.6960240994525049
Energy: 1.6318769132000126
Energy: 1.5293994217713893
Energy: 1.6318769132090853
Energy: 1.5505504505168695
Energy: 1.5792333007638057
Energy: 1.6382248807418829
Energy: 1.5792333007638057
Energy: 1.5302365570654664
Energy: 1.6194809760849997
Energy: 1.5291395171995357
Energy: 1.6194809760866493
Energy: 1.639908802027293
Energy: 1.6428203975286513
Energy: 1.543665334198407
Energy: 1.6428203975278264
Energy: 1.5444624488804517
Energy: 1.677384405001778
Energy: 1.691030168137783
Energy: 1.677384405002603
Energy: 1.773293816203968
Energy: 1.6032246693536645
Energy: 1.52937799130599
Energy: 1.6032246693306074
Energy: 1.5366195693538882
Energy: 1.54654464867928
Energy: 1.6585241060229725
Energy: 1.54654464867928
Energy: 1.5441687592457196
Energy: 1.6193490240718451
Energy: 1.5439511588653358
Energy: 1.6193490240693706
Energy: 1.658173707937425
Energy: 1.5462927689855877
Energy: 1.5420467631386074
Energy: 1.5462927689822883
Energy: 1.5294137962401664
Energy: 1.6932769577235836
Energy: 1.6661976007730055
Energy: 1.6932769577244084
Energy: 1.638013330251382
Energy: 1.619460528618138
Energy: 1.544503114860586
Energy: 1.619460528618138
Energy: 1.6518948544809422
Energy: 1.6436024193394687
Energy: 1.639503351630722
Energy: 1.643602419338644
Energy: 1.529428418803763
Energy: 1.6603711382262307
Energy: 1.7765319129982406
Energy: 1.6603711382270556
Energy: 1.6785278458509618
Energy: 1.5320415409729229
Energy: 1.550265923030815
Energy: 1.5320415409877695
Energy: 1.5289694654396113
Energy: 1.6223355417489218
Energy: 1.6371955525979742
Energy: 1.6223355417505716
Energy: 1.5290564941306242
Energy: 1.5470214385829038
Energy: 1.533701118532122
Energy: 1.5470214385812542
Energy: 1.5854176384568415
Energy: 1.5342323887040619
Energy: 1.6542498018055753
Energy: 1.5342323886917273
Energy: 1.5295158595339593
Energy: 1.6980231679664204
Energy: 1.7767062386509296
Energy: 1.69802316796807
Energy: 1.6212695175234255
Energy: 1.6425580965049185
Energy: 1.5314398945338286
Energy: 1.642558096503269
Energy: 1.542989340363179
Energy: 1.6193163577789074
Energy: 1.6554420148876414
Energy: 1.6193163577780827
Energy: 1.542618261730795
Energy: 1.6302388401215624
Energy: 1.655164666282708
Energy: 1.6302388401215624
Energy: 1.6704888770255486
Energy: 1.5480494438794319
Energy: 1.532750495966623
Energy: 1.5480494438835557
Energy: 1.5294989177649605
Energy: 1.69756165399986
Energy: 1.8154774000270852
Energy: 1.6975616539982104
Energy: 1.6381584851911746
Energy: 1.5811231456323258
Energy: 1.6554448748620583
Energy: 1.5811231456298513
Energy: 1.757028495057085
Energy: 1.6943410946121347
Energy: 1.535969592724465
Energy: 1.6943410946129593
Energy: 1.5434922255665413
Energy: 1.676375862247713
Energy: 1.6797336112930896
Energy: 1.676375862247713

minimum gb energy = 1.5289694654396113 eV
minimum distance =  2.32007540440769 Angstroms
sigma value = 53


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

Energy: 1.5164839242529435
Energy: 1.5135138036002083
Energy: 1.810943101813325
Energy: 1.5135138036002083
Energy: 1.7256972621116802
Energy: 1.6141480527426386
Energy: 1.5991906637763087
Energy: 1.61414805274074
Energy: 1.5175274860181078
Energy: 1.5131281565238683
Energy: 1.5799619664305637
Energy: 1.513128156525767
Energy: 1.5173503244877835
Energy: 1.5131813790394166
Energy: 1.6890598600841698
Energy: 1.5131813790394166
Energy: 1.7258024802226288
Energy: 1.6140823382022897
Energy: 1.5986914866379742
Energy: 1.6140823382003908
Energy: 1.5164839242529435
Energy: 1.5135138035983093
Energy: 1.8518433920383077
Energy: 1.5135138035983093
Energy: 1.7256972621116802
Energy: 1.6141480527426386
Energy: 1.6208709564115524
Energy: 1.61414805274074
Energy: 1.517527486016209
Energy: 1.513128156525767
Energy: 1.5799619664305637
Energy: 1.513128156525767
Energy: 1.5173503244858846
Energy: 1.5131813790394166
Energy: 1.6890598600841698
Energy: 1.5131813790394166
Energy: 1.72580248022073
Energy: 1.6140823382022897
Energy: 1.6868477484025004
Energy: 1.6140823382003908
Energy: 1.5164839242529435
Energy: 1.5135138036002083
Energy: 1.8518517105470467
Energy: 1.5135138035983093
Energy: 1.7256972621192757
Energy: 1.6141480527426386
Energy: 1.6882072671716193
Energy: 1.61414805274074
Energy: 1.5175274860181078
Energy: 1.5131281565238683
Energy: 1.7147593753528403
Energy: 1.513128156525767

minimum gb energy = 1.5131281565238683 eV
minimum distance =  2.31107176844233 Angstroms
sigma value = 9


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

Energy: 1.6304899923132536
Energy: 1.7519415217113306
Energy: 1.9012197492103875
Energy: 1.7519415217113306
Energy: 1.7453981462991957
Energy: 1.6637195041787793
Energy: 1.5831195797152133
Energy: 1.6637195041787793
Energy: 1.5769762620262398
Energy: 1.6102898109549868
Energy: 1.592351677208526
Energy: 1.6102898109528783
Energy: 1.687843231628282
Energy: 1.8025636556235423
Energy: 1.583782169996307
Energy: 1.8025636556228395
Energy: 1.755981034868556
Energy: 1.6887194188665977
Energy: 1.5971564852805675
Energy: 1.6887194188651922
Energy: 1.6128825677317145
Energy: 1.610079741613768
Energy: 1.6777774741915628
Energy: 1.6100797416130652
Energy: 1.9219054303630214
Energy: 1.6838090589351973
Energy: 1.592677596654939
Energy: 1.6838090589359003
Energy: 1.588072165749857
Energy: 1.7756175968227637
Energy: 1.708124397337117
Energy: 1.7756175968234666
Energy: 1.580031744820528
Energy: 1.8191809566027142
Energy: 1.615801385418955
Energy: 1.81918095660412
Energy: 1.5781966022143301
Energy: 1.670670532838399
Energy: 1.590904319871571
Energy: 1.6706705328398046
Energy: 1.5901556339034033
Energy: 1.703279141855819
Energy: 1.8666980397514195
Energy: 1.7032791418551163
Energy: 1.7273308163759702
Energy: 1.7920463474627917
Energy: 1.5834008980448837
Energy: 1.7920463474627917
Energy: 1.5793571117025864
Energy: 1.6768266581147704
Energy: 1.8066359406013486
Energy: 1.6768266581035576
Energy: 1.693791149028703
Energy: 1.7047206193615205
Energy: 1.634168866559922
Energy: 1.7047206193615205
Energy: 1.5910479629310206
Energy: 1.7264642813211533
Energy: 1.708238242337234
Energy: 1.7264642813274784
Energy: 1.5831627322767745
Energy: 1.8169346671968698
Energy: 1.6841059079397642
Energy: 1.8169346671989783
Energy: 1.6632801146086034
Energy: 1.7265586694240793
Energy: 1.5906579849412108
Energy: 1.726558669421971
Energy: 1.5935112684505837
Energy: 1.6837202245231386
Energy: 1.7546369505586084
Energy: 1.683720224525247
Energy: 1.7634156860248575
Energy: 1.6763149112510431
Energy: 1.6139452120354096
Energy: 1.6763149112538542
Energy: 1.583773023329348
Energy: 1.6867495968339705
Energy: 1.6817759190945445
Energy: 1.6867495968332678
Energy: 1.685575779852291
Energy: 1.7966847245745705
Energy: 1.690253069621865
Energy: 1.7966847245752733
Energy: 1.6821498458750461
Energy: 1.7390144482096555
Energy: 1.577952926861021
Energy: 1.7390144482096555
Energy: 1.6155016754662033
Energy: 1.7420380515338507
Energy: 1.579983046848965
Energy: 1.7420380515317422
Energy: 1.9230015117534458
Energy: 1.7011554083146037
Energy: 1.5876212759843538
Energy: 1.7011554083146037
Energy: 1.59375952844665
Energy: 1.7412508290472686
Energy: 1.8424912423293807
Energy: 1.741250829052891
Energy: 1.6276653412511195
Energy: 1.6101127428232336
Energy: 1.5772439559945208
Energy: 1.6101127428232336
Energy: 1.6999918702528207
Energy: 1.797024440167458
Energy: 1.6872040929526875
Energy: 1.7970244401660522
Energy: 1.5976624890889246
Energy: 1.7977708728858557
Energy: 1.6879665785783577
Energy: 1.7977708728851527
Energy: 1.6436267665347115
Energy: 1.6097005180105617
Energy: 1.5766145050116056
Energy: 1.6097005180091561
Energy: 1.5827638406388824
Energy: 1.7935861821163241
Energy: 1.8430589751031599
Energy: 1.7935861821156533
Energy: 1.8766521103707412
Energy: 1.701458090310227
Energy: 1.58690856526572
Energy: 1.7014580902954681
Energy: 1.5825031456864547
Energy: 1.6760651089852832
Energy: 1.5778990543459543
Energy: 1.6760651089852832
Energy: 1.5946799284886861
Energy: 1.7376190703132814
Energy: 1.5771779130427004
Energy: 1.7376190703167955
Energy: 1.6855620596307102
Energy: 1.8009524567410564
Energy: 1.687840167650132
Energy: 1.8009524567417592
Energy: 1.5923414339042528
Energy: 1.7707083211054786
Energy: 1.9227804279979284
Energy: 1.7707083211061814

minimum gb energy = 1.5766145050116056 eV
minimum distance =  2.30653572192844 Angstroms
sigma value = 73


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

Energy: 1.7401674531589069
Energy: 1.6674326048027535
Energy: 1.8273374419171091
Energy: 1.6674326048016384
Energy: 1.6836479745564052
Energy: 1.7285078705692054
Energy: 1.5852487803640716
Energy: 1.7285078705714354
Energy: 1.589962711489
Energy: 1.874028228924923
Energy: 1.5961056348453482
Energy: 1.8740282289260382
Energy: 1.5691251903057015
Energy: 1.795580849375946
Energy: 1.6174387568266937
Energy: 1.795580849375946
Energy: 1.6321796951726153
Energy: 1.727486982444602
Energy: 1.5915635664417995
Energy: 1.7274869824434869
Energy: 1.6115834067687165
Energy: 1.8756862406523855
Energy: 1.7612911788193983
Energy: 1.8756862406512709
Energy: 1.9349819530625856
Energy: 1.7665738730741358
Energy: 1.586240673916812
Energy: 1.766573873073021
Energy: 1.5837245510388995
Energy: 1.6213378735312005
Energy: 1.8758104792057106
Energy: 1.6213378735312005
Energy: 1.8466568464783721
Energy: 1.6179657995535421
Energy: 1.586210344434571
Energy: 1.6179657995513121
Energy: 1.5883148280972388
Energy: 1.6998618775834047
Energy: 1.587714760881414
Energy: 1.6998618775822896
Energy: 1.586150755359504
Energy: 1.5874794618492343
Energy: 1.7813951987640106
Energy: 1.5874794618492343
Energy: 1.7630381277717315
Energy: 1.7991086243691585
Energy: 1.5685493931993764
Energy: 1.7991086243680434
Energy: 1.613158013213899
Energy: 1.6938871127366661
Energy: 1.9051831630350828
Energy: 1.6938871127388961
Energy: 1.8230801118466884
Energy: 1.7687761679522414
Energy: 1.6117666702142268
Energy: 1.7687761679522414
Energy: 1.5876734749285288
Energy: 1.8031056969851076
Energy: 1.8118926462949971
Energy: 1.8031056969851076
Energy: 1.7810654805760742
Energy: 1.6216019896982012
Energy: 1.583374568253968
Energy: 1.621601989697086
Energy: 1.667081181284968
Energy: 1.6671105771319386
Energy: 1.5901027803110568
Energy: 1.6671105771319386
Energy: 1.6662046426126338
Energy: 1.8168842736967898
Energy: 1.589436617258823
Energy: 1.8168842736979047
Energy: 1.5637766823474681
Energy: 1.6219902348623338
Energy: 1.5841522416224056
Energy: 1.6219902348623338
Energy: 1.5852804395049107
Energy: 1.7119989094710533
Energy: 1.9446888991456932
Energy: 1.7119989094699382
Energy: 1.7907274874307084
Energy: 1.8734769218006424
Energy: 1.6115078991311922
Energy: 1.8734769218006424
Energy: 1.6177287177865012
Energy: 1.7299814644839935
Energy: 1.6715788819130961
Energy: 1.7299814644839935

minimum gb energy = 1.5637766823474681 eV
minimum distance =  2.28421011109146 Angstroms
sigma value = 7


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

Energy: 1.7360334969385387
Energy: 1.7030630132245697
Energy: 1.8677078198853125
Energy: 1.7030630132261466
Energy: 1.855276034971249
Energy: 1.704497340020267
Energy: 1.6139974480823507
Energy: 1.7044973400163606
Energy: 1.597264959255149
Energy: 1.6476466250012325
Energy: 1.6130558051860666
Energy: 1.6476466250012325
Energy: 1.5917450879122306
Energy: 1.7672939122795908
Energy: 1.6240013875911055
Energy: 1.7672939122795908
Energy: 1.6043118179655675
Energy: 1.7081181917100878
Energy: 1.6160399914193393
Energy: 1.708118191711665
Energy: 1.6116729105533452
Energy: 1.6126846980348863
Energy: 1.7480966173145132
Energy: 1.6126846980348863
Energy: 1.7644319833312965
Energy: 1.7564801219643758
Energy: 1.607961156286467
Energy: 1.7564801219635873
Energy: 1.6111328605624478
Energy: 1.6470921428123484
Energy: 1.8675591673494503
Energy: 1.6470921428115597
Energy: 1.7477917331499964
Energy: 1.7540750906168139
Energy: 1.6345136692281792
Energy: 1.7540750906168139
Energy: 1.5959635454921066
Energy: 1.7247330967011725
Energy: 1.788376319429281
Energy: 1.724733096700384
Energy: 1.5995626577487823
Energy: 1.8238312302690085
Energy: 1.6062766541002853
Energy: 1.823831230267432
Energy: 1.6201218401216881
Energy: 1.7571852649103121
Energy: 1.598230862773614
Energy: 1.7571852649103121
Energy: 1.6131455474976284
Energy: 1.6771760542461642
Energy: 1.6018233508601765
Energy: 1.6771760542430103
Energy: 1.6168335765611421
Energy: 1.634111841820977
Energy: 1.603390280801805
Energy: 1.634111841820977
Energy: 1.593420590098712
Energy: 1.801765100956125
Energy: 1.817721360883742
Energy: 1.801765100957702
Energy: 1.7856959740501044
Energy: 1.680262644261991
Energy: 1.6344455233435426
Energy: 1.6802626442627793
Energy: 1.6045994274822462
Energy: 1.7208608576143367
Energy: 1.6905150320278752
Energy: 1.7208608576135482
Energy: 1.6180247244897035
Energy: 1.6200492896364564
Energy: 1.597954544587663
Energy: 1.620049289635668
Energy: 1.605526906114591
Energy: 1.8243947760683026
Energy: 1.6011247084869074
Energy: 1.8243947760659371
Energy: 1.6038255293639758
Energy: 1.7179753992400548
Energy: 1.6568348218360303
Energy: 1.7179753992432087
Energy: 1.5972508090849118
Energy: 1.823560129528702
Energy: 1.6340730720018188
Energy: 1.8235601295515673
Energy: 1.596132232391848
Energy: 1.6466862433212621
Energy: 1.7345531876700757
Energy: 1.6466862433220504
Energy: 1.9019039627983714
Energy: 1.7181401228738047
Energy: 1.608281714522465
Energy: 1.7181401228738047
Energy: 1.6736832917319366
Energy: 1.674958054164383
Energy: 1.8003853810988004
Energy: 1.674958054168325
Energy: 1.6843767237662954
Energy: 1.707965747753699
Energy: 1.607360208116231
Energy: 1.7079657477529102
Energy: 1.5940274532656695
Energy: 1.8202164096911677
Energy: 1.6077840685237457
Energy: 1.8202164096903795
Energy: 1.5973706732129516
Energy: 1.7734718702123013
Energy: 1.6145109672105975
Energy: 1.7734718702162438
Energy: 1.6441952393289787
Energy: 1.7071220030175474
Energy: 1.6243568725119377
Energy: 1.7071220030183356
Energy: 1.6119623770245248
Energy: 1.6493330273050555
Energy: 1.6352714224932194
Energy: 1.6493330273019018
Energy: 1.9887944681180063
Energy: 1.633369913249076
Energy: 1.6137562184437708
Energy: 1.6333699132506527
Energy: 1.611916843361705
Energy: 1.6494792732319397
Energy: 1.6764298945786227
Energy: 1.6494792732319397

minimum gb energy = 1.5917450879122306 eV
minimum distance =  2.26947584901832 Angstroms
sigma value = 29


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

Energy: 1.5946089217381936
Energy: 1.5539314950323437
Energy: 1.7928043880570665
Energy: 1.5539314950323437
Energy: 1.5440431847029257
Energy: 1.5932064897582787
Energy: 1.5949779841643175
Energy: 1.593206489759072
Energy: 1.545793398614821
Energy: 1.6920178970330901
Energy: 1.5435605964668506
Energy: 1.6920178970322968
Energy: 1.5949255218950982
Energy: 1.542180069236751
Energy: 1.5946314437161875
Energy: 1.5421800692332417
Energy: 1.5952623689901897
Energy: 1.6485917548264444
Energy: 1.5434215390495565
Energy: 1.6485917548256506
Energy: 1.5352887669944564
Energy: 1.692571332389185
Energy: 1.5355367349332134
Energy: 1.6925713323881169
Energy: 1.5301577303584875
Energy: 1.6485450691804082
Energy: 1.59512192053469
Energy: 1.648545069179615
Energy: 1.5946385208032023
Energy: 1.542305003537849
Energy: 1.5949632184437619
Energy: 1.5423050035319288
Energy: 1.5433011730314743
Energy: 1.6919518041885218
Energy: 1.5457912984137272
Energy: 1.691951804188247

minimum gb energy = 1.5301577303584875 eV
minimum distance =  2.30129415826174 Angstroms
sigma value = 5


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

Energy: 1.5220398681092069
Energy: 1.5083566308893461
Energy: 1.7153613107790977
Energy: 1.5083566308878569
Energy: 1.7277040782030344
Energy: 1.5816677619684358
Energy: 1.4321986433181273
Energy: 1.5816677619714152
Energy: 1.4383015333584286
Energy: 1.492610570946068
Energy: 1.7408619103807152
Energy: 1.492610570946068
Energy: 1.4407355700219666
Energy: 1.5650640150106032
Energy: 1.4837637326067334
Energy: 1.5650640150084025
Energy: 1.457312996419791
Energy: 1.577497288839006
Energy: 1.7532300718855065
Energy: 1.5774972888382612
Energy: 1.4715936621415289
Energy: 1.5172645361340926
Energy: 1.4553763365239427
Energy: 1.5172645361333479
Energy: 1.4559055999392876
Energy: 1.5887145454842986
Energy: 1.45677210947999
Energy: 1.5887145454857883
Energy: 1.455711250169569
Energy: 1.5199302235969212
Energy: 1.4324312341902528
Energy: 1.5199302235954315
Energy: 1.4857356041269782
Energy: 1.709950457100986
Energy: 1.4447908101412845
Energy: 1.709950457100986
Energy: 1.4848462665663904
Energy: 1.5740871685271436
Energy: 1.4388002428739417
Energy: 1.5740871685271436
Energy: 1.448213270674879
Energy: 1.5658227008281074
Energy: 1.4387301098095018
Energy: 1.565822700825873
Energy: 1.4308173231482655
Energy: 1.73026568162172
Energy: 1.6468551802336333
Energy: 1.7302656816224646
Energy: 1.4845440451915282
Energy: 1.5152409966058085
Energy: 1.5149291999064964
Energy: 1.5152409966035743
Energy: 1.4570884065075023
Energy: 1.5153400976064466
Energy: 1.4864601931080548
Energy: 1.5153400976071913
Energy: 1.6981498017734495
Energy: 1.4528540601858722
Energy: 1.4385785766521277
Energy: 1.452854060185127
Energy: 1.4834058968931338
Energy: 1.4835243647852678
Energy: 1.726957178155808
Energy: 1.4835243647882468
Energy: 1.7510046235152104
Energy: 1.462119879711181
Energy: 1.4447691221178447
Energy: 1.462119879711181
Energy: 1.467413269760294
Energy: 1.5153633902706927
Energy: 1.5273371187066567
Energy: 1.5153633902699477
Energy: 1.4583384630565448
Energy: 1.590473615581607
Energy: 1.4550733322237472
Energy: 1.5904736155808623
Energy: 1.4308440444471846
Energy: 1.544763929647744
Energy: 1.5067382796346556
Energy: 1.5447639296462545
Energy: 1.4197224072125756
Energy: 1.70071125259272
Energy: 1.4845446485587026
Energy: 1.7007112525949544
Energy: 1.45772750353258
Energy: 1.5731828453647503
Energy: 1.4866914017859707
Energy: 1.5731828453640058
Energy: 1.4399756847411345
Energy: 1.5170936709662082
Energy: 1.4233693075359588
Energy: 1.5170936709654634
Energy: 1.6539735467597132
Energy: 1.522604884220748
Energy: 1.43097272433767
Energy: 1.5226048842192585
Energy: 1.655765542151816
Energy: 1.495887264034782
Energy: 1.4341715145808083
Energy: 1.4958872640362717
Energy: 1.4930735558214474
Energy: 1.5154044712688322
Energy: 1.4573585422536692
Energy: 1.5154044712680872
Energy: 1.4393326485810531
Energy: 1.547622956729422
Energy: 1.603825271144076
Energy: 1.547622956725698
Energy: 1.4676085535858907
Energy: 1.5672558374624717
Energy: 1.4834438515668473
Energy: 1.5672558374632162
Energy: 1.4312707464199987
Energy: 1.461956656076913
Energy: 1.6326599352494102
Energy: 1.461956656076168
Energy: 1.7834361842629871
Energy: 1.5148989454092008
Energy: 1.4671775816194206
Energy: 1.5148989454047324
Energy: 1.455111899532246
Energy: 1.4945771153809573
Energy: 1.5932905295875317
Energy: 1.4945771153861709
Energy: 1.7512667291237842
Energy: 1.508369232084226
Energy: 1.4309517828384868
Energy: 1.5083692320857158
Energy: 1.483479349447314
Energy: 1.5662231592689615
Energy: 1.4222859423267846
Energy: 1.5662231592659825

minimum gb energy = 1.4197224072125756 eV
minimum distance =  2.29110943867569 Angstroms
sigma value = 1


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

Energy: 1.4519039130059044
Energy: 1.447128078386706
Energy: 1.6502806290976406
Energy: 1.4471280783877358
Energy: 1.4401240385348515
Energy: 1.4590895190403868
Energy: 1.3775838600929227
Energy: 1.4590895190403868
Energy: 1.3398606953928867
Energy: 1.446846759915245
Energy: 1.9744467815913513
Energy: 1.4468467599173045
Energy: 1.3957044423015381
Energy: 1.5156308160847152
Energy: 1.3813507379655616
Energy: 1.5156308160847152
Energy: 1.3404655184597256
Energy: 1.5749642202341838
Energy: 1.7574095139011794
Energy: 1.5749642202331542
Energy: 1.34087593091692
Energy: 1.4517004161035227
Energy: 1.38179480654256
Energy: 1.4517004161035227
Energy: 1.340471119813293
Energy: 1.5753904277722663
Energy: 1.3941044103182825
Energy: 1.5753904277732962
Energy: 1.3409873984472083
Energy: 1.4536542955760061
Energy: 1.4157382978477753
Energy: 1.4536542955749763
Energy: 1.451152243155084
Energy: 1.4452032920224451
Energy: 1.4067496534545767
Energy: 1.4452032920214155
Energy: 1.451310435599515
Energy: 1.4453580465790379
Energy: 1.41474175635242
Energy: 1.4453580465800675
Energy: 1.3415042527069643
Energy: 1.4536596119761664
Energy: 1.3932748793252605
Energy: 1.4536596119761664
Energy: 1.3406020223489215
Energy: 1.5752186133999033
Energy: 1.4148916975566626
Energy: 1.5752186133999033
Energy: 1.3407002758402942
Energy: 1.452110241240473
Energy: 1.3817749979552245
Energy: 1.452110241240473
Energy: 1.340482279908689
Energy: 1.5747874096052605
Energy: 1.6154641288864755
Energy: 1.5747874096062902
Energy: 1.3957708401333482
Energy: 1.52262805441998
Energy: 1.381277244355308
Energy: 1.5226280544230697
Energy: 1.3398617580437848
Energy: 1.44667207593449
Energy: 1.422298064920298
Energy: 1.4466720759334604
Energy: 1.4396748961484318
Energy: 1.459054168668065
Energy: 1.3774502854378894
Energy: 1.4590541686670353
Energy: 1.4519039130059044
Energy: 1.447128078386706
Energy: 1.4028742143364257
Energy: 1.4471280783887657
Energy: 1.4401240385348515
Energy: 1.4590895190403868
Energy: 1.3775838600929227
Energy: 1.459089519039357
Energy: 1.3398606953928867
Energy: 1.4468467599162746
Energy: 1.9744467815954705
Energy: 1.4468467599173045
Energy: 1.3957044423005083
Energy: 1.5156308160836853
Energy: 1.3813507379655616
Energy: 1.5156308160847152
Energy: 1.3404655184586955
Energy: 1.5749642202331542
Energy: 1.7574095139001495
Energy: 1.5749642202331542
Energy: 1.34087593091692
Energy: 1.4517004161045526
Energy: 1.3817948065415302
Energy: 1.4517004161045526
Energy: 1.3404711198143229
Energy: 1.5753904277722663
Energy: 1.394104410317276
Energy: 1.5753904277732962

minimum gb energy = 1.3398606953928867 eV
minimum distance =  2.29221359352817 Angstroms
sigma value = 17


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

Energy: 1.4114608380063434
Energy: 1.4068668162303477
Energy: 1.6370938441419485
Energy: 1.406866816229711
Energy: 1.616864300197322
Energy: 1.3854380425209694
Energy: 1.3390938243581993
Energy: 1.3854380425222423
Energy: 1.3396449413749467
Energy: 1.3838893530214835
Energy: 1.783240885310008
Energy: 1.3838893530227565
Energy: 1.3724478231487391
Energy: 1.6231937627302033
Energy: 1.33856193965618
Energy: 1.6231937627308397
Energy: 1.3210937086526404
Energy: 1.4916161474240304
Energy: 1.6021297169032158
Energy: 1.4916161474240304
Energy: 1.3116815593864983
Energy: 1.6389382317383199
Energy: 1.365277116544343
Energy: 1.6389382317376833
Energy: 1.339861946423
Energy: 1.4637276561782235
Energy: 1.3903626988474684
Energy: 1.463727656176314
Energy: 1.3213397754593765
Energy: 1.6526684401835625
Energy: 1.3204255816593817
Energy: 1.652668440184199
Energy: 1.3964707037229098
Energy: 1.6513402256201852
Energy: 1.3643750275425397
Energy: 1.6513402256214584
Energy: 1.3992471078717548
Energy: 1.4439149737317898
Energy: 1.339745799267876
Energy: 1.4439149737336991
Energy: 1.3402994483678388
Energy: 1.617774965250481
Energy: 1.3206838939925398
Energy: 1.617774965251754
Energy: 1.3402318457583728
Energy: 1.4524768186872812
Energy: 1.3212707249475981
Energy: 1.4524768186860084
Energy: 1.3113594075627626
Energy: 1.641724982006005
Energy: 1.338912773412654
Energy: 1.6417249820047317
Energy: 1.3211947048202688
Energy: 1.490675154162035
Energy: 1.4140939521692446
Energy: 1.4906751541645813
Energy: 1.3217852039777414
Energy: 1.626467005048866
Energy: 1.4163832954822502
Energy: 1.6264670050495027
Energy: 1.3397483078161778
Energy: 1.3850698699225135
Energy: 1.596818481971205
Energy: 1.3850698699225135
Energy: 1.356133239177555
Energy: 1.6269680309837231
Energy: 1.3384705765386975
Energy: 1.6269680309900882
Energy: 1.3379641250242358
Energy: 1.4074517005890281
Energy: 1.3417528355812283
Energy: 1.4074517005903011
Energy: 1.6042265490955017
Energy: 1.4565959339089465
Energy: 1.339377946454373
Energy: 1.4565959339114924
Energy: 1.3638770940257672
Energy: 1.3845485502348445
Energy: 1.3655482735525275
Energy: 1.3845485502335715
Energy: 1.5972983141736046
Energy: 1.3716956659729795
Energy: 1.338510197823138
Energy: 1.3716956659736161
Energy: 1.3382684003806686
Energy: 1.6810679607536396
Energy: 1.341218032291839
Energy: 1.681067960754276
Energy: 1.348781479336331
Energy: 1.3600403890539159
Energy: 1.3643242330098675
Energy: 1.3600403890551886
Energy: 1.3398192970835867
Energy: 1.4649454395425614
Energy: 1.616305175976805
Energy: 1.4649454395438344
Energy: 1.360825177776156
Energy: 1.4078934783080301
Energy: 1.3381927353615803
Energy: 1.4078934783061208
Energy: 1.3384448468562793
Energy: 1.492727946302127
Energy: 1.3557265393505031
Energy: 1.4927279463027634
Energy: 1.5808207032793282
Energy: 1.4296898980597887
Energy: 1.339545820721117
Energy: 1.4296898980604251
Energy: 1.4192943900271822
Energy: 1.6267466338967265
Energy: 1.3214434979637715
Energy: 1.62674663389609
Energy: 1.4266918124687513
Energy: 1.490493507902679
Energy: 1.3211287478378448
Energy: 1.490493507902679
Energy: 1.3390005702827799
Energy: 1.6389285475783115
Energy: 1.369563428835662
Energy: 1.6389285475789481
Energy: 1.3213488020778599
Energy: 1.490382109858803
Energy: 1.3404191967323658
Energy: 1.4903821098600758
Energy: 1.321103424470221
Energy: 1.6178361118393754
Energy: 1.339712524876931
Energy: 1.6178361118368292
Energy: 1.3399347322402035
Energy: 1.4441231216653825
Energy: 1.6234753119604437
Energy: 1.4441231216679282
Energy: 1.3705637612943937
Energy: 1.6509623447014756
Energy: 1.365942636840161
Energy: 1.6509623447021122
Energy: 1.3204546440670046
Energy: 1.4087044149746346
Energy: 1.3628720865297397
Energy: 1.4087044149733614
Energy: 1.3894840971336968
Energy: 1.4649464054215393
Energy: 1.339562530831158
Energy: 1.4649464054221757
Energy: 1.3642703358924204
Energy: 1.6393843992950765
Energy: 1.312085286051388
Energy: 1.6393843992963495
Energy: 1.5980769264775545
Energy: 1.4930221127181567
Energy: 1.3386484369553833
Energy: 1.4930221127181567

minimum gb energy = 1.3113594075627626 eV
minimum distance =  2.28669411219623 Angstroms
sigma value = 89


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

Energy: 1.250535766235927
Energy: 1.247187203280887
Energy: 1.2112426122257132
Energy: 1.2471872032792215
Energy: 1.2471557727054956
Energy: 1.2996747594140587
Energy: 1.250864826960191
Energy: 1.299674759414229
Energy: 1.2549664734297532
Energy: 1.4644111924210812
Energy: 1.9185549919810292
Energy: 1.4644111924204188
Energy: 1.219069979128029
Energy: 1.299538052854787
Energy: 1.2487783523751523
Energy: 1.299538052854787
Energy: 1.2493559595164083
Energy: 1.3634663160125708
Energy: 1.2355923936053592
Energy: 1.3634663160125708
Energy: 1.2470764444931568
Energy: 1.249021911273826
Energy: 1.253619758791318
Energy: 1.249021911273826
Energy: 1.25557975564367
Energy: 1.46447660141286
Energy: 1.2499382727483368
Energy: 1.4644766014123491
Energy: 1.2071103339067681
Energy: 1.463976739874426
Energy: 1.2483854880547944
Energy: 1.4639767398760912
Energy: 1.2498864175934312
Energy: 1.3635299877267415
Energy: 1.2208545889667133
Energy: 1.3635299877267415
Energy: 1.300583351536233
Energy: 1.3577769996167315
Energy: 1.2468324350312283
Energy: 1.3577769996134008
Energy: 1.2492757051125989
Energy: 1.3012199983707144
Energy: 1.2474366290604804
Energy: 1.3012199983698818
Energy: 1.2520969166318194
Energy: 1.463365036763201
Energy: 1.2492292786721835
Energy: 1.4633650367625384
Energy: 1.2492619444586293
Energy: 1.2528508856532297
Energy: 1.205623413464283
Energy: 1.2528508856532297
Energy: 1.2468830300199787
Energy: 1.3613415172136232
Energy: 1.2471240151437293
Energy: 1.3613415172136232
Energy: 1.22057452092347
Energy: 1.2527840342570875
Energy: 1.2490911410990302
Energy: 1.252784034255422

minimum gb energy = 1.205623413464283 eV
minimum distance =  2.31040868469961 Angstroms
sigma value = 13


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

Energy: 1.2003305228913135
Energy: 1.1436523466524309
Energy: 1.427779226004265
Energy: 1.1436523466503365
Energy: 1.4435662647524665
Energy: 1.17912472542078
Energy: 1.1171735150943944
Energy: 1.1791247254193837
Energy: 1.1459176096138497
Energy: 1.1441136214386984
Energy: 1.378448385064874
Energy: 1.1441136214414904
Energy: 1.1430908173174443
Energy: 1.1790848382144397
Energy: 1.116821665582987
Energy: 1.1790848382200239
Energy: 1.1460882249332645
Energy: 1.2321286290456217
Energy: 1.1458307481372247
Energy: 1.2321286290421314
Energy: 1.117862556605549
Energy: 1.1799398475425025
Energy: 1.1643195284597934
Energy: 1.1799398475432006
Energy: 1.1462668611956819
Energy: 1.2352616561213794
Energy: 1.294945758356364
Energy: 1.2352616561255674
Energy: 1.1015973428935548
Energy: 1.1790992838333094
Energy: 1.1644695940228469
Energy: 1.179099283840988
Energy: 1.1466188265217794
Energy: 1.235462954678507
Energy: 1.412713574053038
Energy: 1.2354629546743188
Energy: 1.447310639593437
Energy: 1.2657369059907375
Energy: 1.1170787149463397
Energy: 1.2657369059949257
Energy: 1.1465532763767725
Energy: 1.263074224541888
Energy: 1.1200590154800658
Energy: 1.2630742245432842
Energy: 1.1729669882343827
Energy: 1.2657152438186021
Energy: 1.1175401517904306
Energy: 1.2657152438172061
Energy: 1.207277952302937
Energy: 1.1694575621144876
Energy: 1.119648027999014
Energy: 1.1694575621137895
Energy: 1.684948366292572
Energy: 1.265578658979288
Energy: 1.1176546168036587
Energy: 1.2655786589799862
Energy: 1.1465767983057045
Energy: 1.1438919676628523
Energy: 1.1189652471459806
Energy: 1.1438919676593622
Energy: 1.1362658715888363
Energy: 1.2655150129028756
Energy: 1.118098674843782
Energy: 1.2655150129035737
Energy: 1.1353056700578705
Energy: 1.1431921709561006
Energy: 1.1191289393843602
Energy: 1.1431921709561006
Energy: 1.1362033687453617
Energy: 1.235094537725223
Energy: 1.1750011514837966
Energy: 1.235094537728015
Energy: 1.1357624802314514
Energy: 1.1723555361102174
Energy: 1.175313881562702
Energy: 1.172355536070461
Energy: 1.1360164121712202
Energy: 1.172531145545166
Energy: 1.1749682221972888
Energy: 1.172531145545864
Energy: 1.136314291525819
Energy: 1.235261613107324
Energy: 1.1753689332261066
Energy: 1.2352616131031358
Energy: 1.1352375462808069
Energy: 1.1430696238777096
Energy: 1.1190893222966656
Energy: 1.1430696238777096
Energy: 1.1363783411050117
Energy: 1.265433840692956
Energy: 1.1180988219640062
Energy: 1.265433840697144
Energy: 1.1466019859470786
Energy: 1.1438943753444943
Energy: 1.1187942400002286
Energy: 1.1438943753451924
Energy: 1.6851122342306304
Energy: 1.2654275976803016
Energy: 1.1176816676513912
Energy: 1.2654275976803016
Energy: 1.2076663571694919
Energy: 1.1694230158327923
Energy: 1.1185342328785686
Energy: 1.169423015831396
Energy: 1.1727666470348463
Energy: 1.2656627274353751
Energy: 1.11755583685084
Energy: 1.2656627274409593
Energy: 1.1465933547228173
Energy: 1.263219131468632
Energy: 1.1189391939940727
Energy: 1.2632191314707262
Energy: 1.4470770173577163
Energy: 1.2657533604067324
Energy: 1.117044075311799
Energy: 1.2657533604095246
Energy: 1.146584020802896
Energy: 1.235440874328359
Energy: 1.6632385304487665
Energy: 1.2354408743325471
Energy: 1.101760199810587
Energy: 1.1792208820363446
Energy: 1.1643665193037749
Energy: 1.179220882039137
Energy: 1.14627302306152
Energy: 1.2353007603281527
Energy: 1.4161876672419
Energy: 1.235300760328851
Energy: 1.1177958092306672
Energy: 1.179706888114853
Energy: 1.1642787829979135
Energy: 1.179706888116249
Energy: 1.1464555155169291
Energy: 1.232216323084008
Energy: 1.1413595020244147
Energy: 1.232216323084008
Energy: 1.1434426987128035
Energy: 1.1788787253148083
Energy: 1.1168955046127882
Energy: 1.1788787253162043

minimum gb energy = 1.1015973428935548 eV
minimum distance =  2.32111285050959 Angstroms
sigma value = 37


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

Energy: 1.36088512285618
Energy: 1.1317013056763834
Energy: 0.9878996936181347
Energy: 1.1317013056763834
Energy: 1.3175831041884012
Energy: 1.0983516261097734
Energy: 1.0217504916509605
Energy: 1.0983516261109745
Energy: 1.082004310094682
Energy: 1.2250734247202422
Energy: 1.0132082983353246
Energy: 1.2250734247190413
Energy: 1.2705330274726352
Energy: 1.0989232158443716
Energy: 1.0419686774188954
Energy: 1.0989232158419697
Energy: 1.0438914473509726
Energy: 1.098063248845132
Energy: 1.0475163789258357
Energy: 1.098063248845132
Energy: 1.0176905022315588
Energy: 1.0985011296013873
Energy: 1.277167438098623
Energy: 1.0985011296001863
Energy: 1.057375422041044
Energy: 1.160315390450882
Energy: 1.3172636717563149
Energy: 1.160315390449681
Energy: 1.0197983627496956
Energy: 1.0997809896797148
Energy: 1.0976247654210767
Energy: 1.0997809896785138
Energy: 1.0280726174168697
Energy: 1.097869997080053
Energy: 1.0666866183458161
Energy: 1.0978699970788521
Energy: 1.5806214768652453
Energy: 1.2147328437838447
Energy: 1.27715511016261
Energy: 1.2147328437838447
Energy: 1.060240073145889
Energy: 1.1856151511780078
Energy: 1.2694445142262645
Energy: 1.1856151511792086
Energy: 1.6334626956886131
Energy: 1.0989038560464204
Energy: 1.0405878299037195
Energy: 1.0989038560452196
Energy: 1.2768365289075236
Energy: 1.0978850154900273
Energy: 1.0192877907989821
Energy: 1.0978850154888264
Energy: 1.308658871080185
Energy: 1.153113388224169
Energy: 1.0223985126997857
Energy: 1.1531133882253701
Energy: 1.3585285639314106
Energy: 1.1543233749733857
Energy: 1.019572430542781
Energy: 1.1543233749733857
Energy: 1.3509648589686327
Energy: 1.0986970115701706
Energy: 1.0227026556473828
Energy: 1.0986970115701706
Energy: 1.276873629510767
Energy: 1.213185780616431
Energy: 0.9988221902712998
Energy: 1.213185780618833
Energy: 1.271464868857014
Energy: 1.187180530821276
Energy: 1.0411567527728551
Energy: 1.187180530822477
Energy: 1.041573788529175
Energy: 1.1014393352485823
Energy: 1.0401186664888264
Energy: 1.1014393352485823
Energy: 1.0426298627232178
Energy: 1.0989713447484564
Energy: 1.2699013688097458
Energy: 1.0989713447460547

minimum gb energy = 0.9878996936181347 eV
minimum distance =  2.32712742254638 Angstroms
sigma value = 25


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

Energy: 1.2106024757578868
Energy: 0.931788011947055
Energy: 0.8492364120256858
Energy: 0.9317880119461172
Energy: 1.4726190842107523
Energy: 0.9429715240567585
Energy: 0.9173760524093888
Energy: 0.942971524058634
Energy: 1.1462904572782007
Energy: 0.9306292960207488
Energy: 0.8707707145637907
Energy: 0.9306292960216865
Energy: 1.0961846796576102
Energy: 0.9625716955960366
Energy: 0.916850744418557
Energy: 0.96257169559885
Energy: 0.9335325496797825
Energy: 0.9435347734808146
Energy: 0.8870244493244519
Energy: 0.9435347734808146
Energy: 1.0704232975653496
Energy: 0.9296371093832256
Energy: 0.9356019698350612
Energy: 0.9296371093851012
Energy: 0.9187121193251383
Energy: 0.9114013598113822
Energy: 1.0960198172859341
Energy: 0.9114013598113822
Energy: 0.8637105126577806
Energy: 0.9779163667704877
Energy: 1.1171379180267031
Energy: 0.9779163667704877
Energy: 0.9170728700245883
Energy: 0.9467105733809601
Energy: 1.492397576497677
Energy: 0.9467105733818979
Energy: 0.8685327875733907
Energy: 0.9117326087028929
Energy: 0.9805531630373211
Energy: 0.9117326087047685
Energy: 0.9191532360718355
Energy: 0.9113793690417529
Energy: 1.6534894043187744
Energy: 0.9113793690417529
Energy: 1.332666053159252
Energy: 0.977041071885716
Energy: 1.116940785865056
Energy: 0.977041071871692
Energy: 0.9185966942206751
Energy: 0.9626292273166726
Energy: 1.4632573124682502
Energy: 0.9626292273157347
Energy: 1.366421101208845
Energy: 0.911300422765039
Energy: 0.9355725288913156
Energy: 0.9113004227659769
Energy: 0.9301036787598275
Energy: 0.9119744403551663
Energy: 1.075214257197389
Energy: 0.9119744403542285
Energy: 1.0941647145035664
Energy: 1.068269671233064
Energy: 0.9134047276866417
Energy: 1.068269671232126
Energy: 1.116199405232985
Energy: 0.9773537088484016
Energy: 0.866451687457615
Energy: 0.9773537088465261
Energy: 1.5078515066551386
Energy: 0.9431946526056271
Energy: 0.9175207259192857
Energy: 0.9431946526056271
Energy: 1.1824899623772198
Energy: 0.9290592486217751
Energy: 0.876823685820795
Energy: 0.9290592486189617
Energy: 1.8307885448921912
Energy: 1.072243153561376
Energy: 0.9133103834404401
Energy: 1.072243153561376
Energy: 1.1163095314585307
Energy: 0.97693799910911
Energy: 0.8548171128268495
Energy: 0.9769379991119232
Energy: 1.112352415488452
Energy: 0.9625117532050104
Energy: 0.9207088020342277
Energy: 0.9625117532050104
Energy: 0.9302757381901975
Energy: 0.911379770877491
Energy: 1.3714703545872067
Energy: 0.9113797708746776
Energy: 1.0735950426625631
Energy: 1.0720244250166227
Energy: 0.9327271771807715
Energy: 1.0720244250166227
Energy: 0.9161775948358954
Energy: 1.0687077686668658
Energy: 1.5446412557067952
Energy: 1.0687077686659279
Energy: 0.8822331275316001
Energy: 0.9776069429901459
Energy: 1.117197488929158
Energy: 0.9776069429901459

minimum gb energy = 0.8492364120256858 eV
minimum distance =  2.33280279257434 Angstroms
sigma value = 41


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

Energy: 1.4578637557004621
Energy: 0.8301871481721231
Energy: 1.1180252718609687
Energy: 0.8301871481721231
Energy: 1.442721517055065
Energy: 0.8080689960007719
Energy: 0.7923058012392364
Energy: 0.8080689960015409
Energy: 0.830812253425732
Energy: 0.790000751971075
Energy: 0.7606765752576761
Energy: 0.790000751970306
Energy: 1.111431820132985
Energy: 0.809530875704628
Energy: 0.7921676956754831
Energy: 0.8095308757053967
Energy: 0.7892545846435834
Energy: 0.8548947003704574
Energy: 0.7634656647764019
Energy: 0.8548947003743016
Energy: 0.7793645561871629
Energy: 0.8096695897108405
Energy: 0.7922657808625403
Energy: 0.8096695897139156
Energy: 0.7917970657784951
Energy: 0.8084967646924043
Energy: 0.7797222123833429
Energy: 0.8084967646924043
Energy: 0.7663875244276274
Energy: 0.8302524733957221
Energy: 0.7899856161361551
Energy: 0.8302524733964909
Energy: 0.7933811267182549
Energy: 0.8303400394368458
Energy: 1.1128942500473642
Energy: 0.8303400394314641
Energy: 0.7582535274093475
Energy: 0.7908705302449499
Energy: 0.8314362316565275
Energy: 0.7908705302449499
Energy: 0.791901946955838
Energy: 0.8086381254730113
Energy: 1.724778018247245
Energy: 0.8086381254730113
Energy: 0.7665986068216045
Energy: 0.8309029321605131
Energy: 1.457413844096239
Energy: 0.8309029321574378
Energy: 0.7935610949887055
Energy: 0.830490035286234
Energy: 1.8652004924713643
Energy: 0.8304900353285194
Energy: 1.1536946388481457
Energy: 0.9137610574694858
Energy: 0.8315364736805196
Energy: 0.9137610574710234
Energy: 0.791679217617718
Energy: 0.8085223600526471
Energy: 1.4228784098487137
Energy: 0.8085223600511093
Energy: 1.1707539892851146
Energy: 0.8313445358153064
Energy: 0.7899873216981472
Energy: 0.8313445358153064
Energy: 0.7937767835810721
Energy: 0.8294307098985418
Energy: 1.0926278640422071
Energy: 0.8294307098993106
Energy: 0.7837436078498982
Energy: 0.914295827877579
Energy: 0.7924112671012989
Energy: 0.9142958278583585
Energy: 0.7917446154170309
Energy: 0.8300679127803242
Energy: 0.7647247420206317
Energy: 0.8300679127826307
Energy: 1.196614453654467
Energy: 0.8304410027383442
Energy: 0.7901498418691852
Energy: 0.8304410027160484
Energy: 0.8330909606800616
Energy: 0.8292254697491848
Energy: 0.7563263947835304
Energy: 0.8292254697491848
Energy: 1.72240330763025
Energy: 0.8542126281561258
Energy: 0.7924320107507051
Energy: 0.8542126281530504
Energy: 1.4528655194694768
Energy: 0.8292092874893415
Energy: 0.7644090991795087
Energy: 0.8292092874885728
Energy: 1.456564448502195
Energy: 0.8303383510290062
Energy: 0.790122263665387
Energy: 0.8303383510328504
Energy: 0.833112052293197
Energy: 0.9115882031299181
Energy: 0.7494861750211185
Energy: 0.911588203138375
Energy: 1.4229838190372859
Energy: 0.8542134301406604
Energy: 0.792461746991052
Energy: 0.8542134301383539
Energy: 0.7918274678701734
Energy: 0.8290256723076909
Energy: 1.1698548835148315
Energy: 0.8290256723076909
Energy: 0.7984633137022732
Energy: 0.8291607700736914
Energy: 0.7902816743734798
Energy: 0.829160770075229
Energy: 0.7936845691271361
Energy: 0.9118615931407785
Energy: 1.1713587849402498
Energy: 0.9118615931392408
Energy: 0.7664414693997104
Energy: 0.8837565446159381
Energy: 0.7945718546953139
Energy: 0.8837565446105562
Energy: 0.7914295369810577
Energy: 0.8289837607138594
Energy: 1.1942616105136121
Energy: 0.8289837607138594
Energy: 0.765514636478716
Energy: 0.8292020413652954
Energy: 0.8356047277008367
Energy: 0.8292020413660642

minimum gb energy = 0.7494861750211185 eV
minimum distance =  2.32403429282885 Angstroms
sigma value = 15


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

Energy: 1.3046376236397244
Energy: 0.7330282634302948
Energy: 0.8244536744343098
Energy: 0.7330282634289923
Energy: 1.524307260297509
Energy: 0.7291547865078282
Energy: 0.7308884006287004
Energy: 0.7291547865058743
Energy: 0.7639769467126543
Energy: 0.728926362112824
Energy: 0.6843097806969571
Energy: 0.7289263621147779
Energy: 1.2671694967161657
Energy: 0.7292151325467502
Energy: 0.7310451398332537
Energy: 0.7292151325434936
Energy: 0.7290007184029887
Energy: 0.7311782958159607
Energy: 1.0776764712145173
Energy: 0.7311782963081096
Energy: 0.9839465302243425
Energy: 0.7300683483475631
Energy: 0.731052316789672
Energy: 0.7300683483501683
Energy: 0.7306834597910927
Energy: 0.7452312377797774
Energy: 0.699476744474541
Energy: 0.7452312377843365
Energy: 0.6993527007426762
Energy: 0.7460370474638777
Energy: 0.7309786277145218
Energy: 0.7460370474638777
Energy: 0.7319722652221843
Energy: 0.7474106733099914
Energy: 0.9847201037343112
Energy: 0.7474106732677159
Energy: 0.6912801606763272
Energy: 0.7301633367207517
Energy: 0.7292259658886427
Energy: 0.7301633367044691
Energy: 0.7304767639483987
Energy: 0.7291997697071898
Energy: 1.267319090236471
Energy: 0.7291997697045846
Energy: 0.6861960568776506
Energy: 0.7290493194777747
Energy: 0.7643032158463919
Energy: 0.7290493194771236
Energy: 0.73213898501702
Energy: 0.7474155059024455
Energy: 1.5241422076292428
Energy: 0.747415505901143
Energy: 0.6922496193039747
Energy: 0.7300308033293398
Energy: 1.3016619033218053
Energy: 0.7300308033267345
Energy: 0.7304681077912254
Energy: 0.7291582660289934
Energy: 1.77028697839367
Energy: 0.7291582660250855
Energy: 1.0277533473788039
Energy: 0.7291016694361898
Energy: 0.7640408747990197
Energy: 0.7291016694381438
Energy: 0.7320488562155356
Energy: 0.7466694820390207
Energy: 1.51077578607457
Energy: 0.746669482041626
Energy: 1.039099852295433
Energy: 0.7288901308530785
Energy: 0.7292739330835598
Energy: 0.7288901307971256
Energy: 0.7305191786349551
Energy: 0.7291618976063087
Energy: 1.253786788173046
Energy: 0.7291618976095652
Energy: 1.041126818334607
Energy: 0.7299127467069555
Energy: 0.7311792653862359
Energy: 0.7299127467063043
Energy: 0.7318449623675516
Energy: 0.7631369046218315
Energy: 0.9717543674123472
Energy: 0.7631369046250879
Energy: 1.0600352318357298
Energy: 0.7457845904750496
Energy: 0.7337362430996847
Energy: 0.745784590473747
Energy: 0.730842331292927
Energy: 0.7294054672170888
Energy: 0.6892591937526483
Energy: 0.7294054672190429
Energy: 1.267857786418282
Energy: 0.7302909421409569
Energy: 0.7310173557993151
Energy: 0.7302909421558776
Energy: 0.7654296772561768
Energy: 0.7632592977746225
Energy: 0.6845968260086776
Energy: 0.7632592977778792
Energy: 1.534801813095724
Energy: 0.7456718150318027
Energy: 0.7335962479707813
Energy: 0.745671815032454
Energy: 1.300360578564285
Energy: 0.7294377771446765
Energy: 0.6895767348343999
Energy: 0.7294377771414199
Energy: 1.767581520858376
Energy: 0.7293142055611175
Energy: 0.7309907435557477
Energy: 0.7293142055617687
Energy: 0.7654790065968201
Energy: 0.7628072545767991
Energy: 0.6853589091773788
Energy: 0.76280725457224
Energy: 1.2775816731394956
Energy: 0.7457868770653538
Energy: 0.7338163022917595
Energy: 0.7457868770647025
Energy: 0.7304665656002227
Energy: 0.7281901159061119
Energy: 1.0373159259073566
Energy: 0.7281901159015528
Energy: 1.254563821121644
Energy: 0.728612767877817
Energy: 0.7313149956276683
Energy: 0.7286127678849814
Energy: 0.7320383644258419
Energy: 0.7628053505499865
Energy: 1.0396647968407366
Energy: 0.7628053505571509
Energy: 0.7065608582778575
Energy: 0.763044858066894
Energy: 0.7337914331403412
Energy: 0.7630448580694993
Energy: 0.7049365303932333
Energy: 0.7283637329125286
Energy: 1.0578753847399265
Energy: 0.7283637329125286
Energy: 0.6870740864487567
Energy: 0.7284223937780838
Energy: 0.7326267415241778
Energy: 0.7284223937767812
Energy: 0.7322058534432366
Energy: 0.8317367344768857
Energy: 1.567596936510785
Energy: 0.8317367344983787

minimum gb energy = 0.6843097806969571 eV
minimum distance =  2.32273473363944 Angstroms
sigma value = 85


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

Energy: 1.2219812663830532
Energy: 0.7207225289909964
Energy: 0.8151949814717812
Energy: 0.7207225289904315
Energy: 1.5955167273556867
Energy: 0.7174890057599396
Energy: 0.6737585200456964
Energy: 0.7174890057678477
Energy: 1.1800667437589585
Energy: 0.7177270491674661
Energy: 0.6006895933678851
Energy: 0.7177270491663363
Energy: 1.370114254583828
Energy: 0.7175578277124977
Energy: 0.6738059336082144
Energy: 0.7175578277119328
Energy: 0.7181146295681674
Energy: 0.6721301072078452
Energy: 0.3820667602242212
Energy: 0.67213010720841
Energy: 1.14310820058827
Energy: 0.7184074668172493
Energy: 0.673947387364036
Energy: 0.7184074668172493
Energy: 0.6720740631706297
Energy: 0.7451215448107292
Energy: 0.6297953204086834
Energy: 0.745121544811859
Energy: 1.1061595318059698
Energy: 0.7173711286086003
Energy: 0.6738684515432016
Energy: 0.7173711286283712
Energy: 0.6734386179394961
Energy: 0.6950079119628807
Energy: 0.8886488257030004
Energy: 0.6950079119651146
Energy: 0.8616823155078831
Energy: 0.7423474746613332
Energy: 0.6726648298316452
Energy: 0.7423474746613332
Energy: 0.6750938114609535
Energy: 0.7174694046409285
Energy: 1.1434320359114374
Energy: 0.7174694046397987
Energy: 0.6087711094066444
Energy: 0.7170370880601065
Energy: 0.7185321490951952
Energy: 0.7170370880606712
Energy: 0.6734306087946046
Energy: 0.6936305448675534
Energy: 1.3698406969934922
Energy: 0.6936305448675534
Energy: 0.6009608429429122
Energy: 0.7179158638965125
Energy: 1.1719851060975075
Energy: 0.7179158638965125
Energy: 0.6747351975758092
Energy: 0.7175103383613212
Energy: 1.790917989534022
Energy: 0.7175103383607563
Energy: 0.609370241474111
Energy: 0.7207624386315545
Energy: 1.215116193726351
Energy: 0.7207624386309898
Energy: 0.6733545703740188
Energy: 0.6936634998351767
Energy: 1.790887263834994
Energy: 0.6936634998357417
Energy: 0.8966348522158492
Energy: 0.7180082167747069
Energy: 1.171970416298941
Energy: 0.7180082167741421
Energy: 0.6746718217338242
Energy: 0.7176463576723044
Energy: 1.5636782003324883
Energy: 0.7176463576728693
Energy: 0.9160210301243156
Energy: 0.7207960279820053
Energy: 0.7185295882329825
Energy: 0.72079602798257
Energy: 0.6735804480518847
Energy: 0.6937009611807754
Energy: 1.3358568234145167
Energy: 0.6937009611802104
Energy: 0.9166498626015487
Energy: 0.7175835608080704
Energy: 0.6726057045344069
Energy: 0.7175835608075055
Energy: 0.6744656079337156
Energy: 0.7167330959461349
Energy: 1.1063211947153069
Energy: 0.7167330959461349
Energy: 0.9416682728165637
Energy: 0.7417492058681961
Energy: 0.6736116950933508
Energy: 0.7417492058681961
Energy: 0.6737671613516002
Energy: 0.7166142693060036
Energy: 0.8616147102172745
Energy: 0.7166142693065686
Energy: 1.1440815157146678
Energy: 0.7178629088151509
Energy: 0.6764382075832047
Energy: 0.7178629088140213
Energy: 0.718898560755773
Energy: 0.7165287259065614
Energy: 0.6081957757660366
Energy: 0.7165287259071264
Energy: 1.3651242196788713
Energy: 0.7417034663633068
Energy: 0.673632790219772
Energy: 0.741703466361612
Energy: 1.1762876677562746
Energy: 0.7201915033508535
Energy: 0.5991276085464282
Energy: 0.7201915033508535
Energy: 1.7906107021312065
Energy: 0.7192034093024905
Energy: 0.6762556936708541
Energy: 0.719203409300231
Energy: 1.2168642360258213
Energy: 0.7167191342859904
Energy: 0.6084387240335624
Energy: 0.7167191346693877
Energy: 1.592943574469807
Energy: 0.7415564408032551
Energy: 0.6736894959524848
Energy: 0.7415564408060795
Energy: 1.1758530132174323
Energy: 0.71646677687472
Energy: 0.6005995650524771
Energy: 0.71646677687472
Energy: 1.5634831851258522
Energy: 0.7169578250136166
Energy: 0.6760738329631313
Energy: 0.7169578250136166
Energy: 0.7192130718764
Energy: 0.7164227160958072
Energy: 0.9203987979769755
Energy: 0.7164227160980668
Energy: 1.1350756278151646
Energy: 0.7417430187716927
Energy: 0.6740082597482149
Energy: 0.741743018769433
Energy: 0.6736315272692172
Energy: 0.7163653463464409
Energy: 0.9151285142130215
Energy: 0.716365346345876
Energy: 1.106157414755097
Energy: 0.7164426810107573
Energy: 0.6760966981855715
Energy: 0.716442681011887
Energy: 0.6746954063209671
Energy: 0.7164555491922703
Energy: 0.940779675188997
Energy: 0.7164555491905756
Energy: 0.6373555964815674
Energy: 0.7649322388736427
Energy: 0.6751840128511978
Energy: 0.764932238877032
Energy: 0.6727002141769892
Energy: 0.7163145568218273
Energy: 1.3968923773808533
Energy: 0.7163145568212623
Energy: 0.6111943953437462
Energy: 0.7163322755169711
Energy: 0.720561994667004
Energy: 0.7163322755181009
Energy: 0.6748912352170398
Energy: 0.7163462064004661
Energy: 1.418315053149125
Energy: 0.7163462063999013

minimum gb energy = 0.3820667602242212 eV
minimum distance =  2.33887656844554 Angstroms
sigma value = 113


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

Energy: 0.014044976916094052
Energy: 0.014627640697091436
Energy: 2.2197608847770485
Energy: 0.014627640697525686
Energy: 0.8402585253552901
Energy: 0.21820757684302125
Energy: 0.2177365496375993
Energy: 0.21820757684302125
Energy: 0.014044976916094052
Energy: 0.014627640696681314
Energy: 0.840537182397679
Energy: 0.014627640697525686
Energy: 0.8402585253548557
Energy: 0.21820757684261113
Energy: 0.21773065039083228
Energy: 0.21820757684217687
Energy: 0.014044976916094052
Energy: 0.014627640697091436
Energy: 0.8405367231907541
Energy: 0.014627640697525686
Energy: 0.8402585253552901
Energy: 0.21820757684302125
Energy: 0.21773788039331296
Energy: 0.21820757684261113

minimum gb energy = 0.014044976916094052 eV
minimum distance =  2.5520487421063 Angstroms
sigma value = 1