Model name: model_name=MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917419314393
cohesive_energy=4.450350014970536
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018148379026339482
Energy: 0.018377234028697606
Energy: 1.658260719935347
Energy: 0.018377234028697606
Energy: 0.018377234028697606
Energy: 1.4517817042693202
Energy: 0.018377234028697606
Energy: 1.4517817042693202
Energy: 1.658260719936008
Energy: 0.018377234028697606
Energy: 0.018148379026339482
Energy: 0.018377234028697606
Energy: 0.018377234028697606
Energy: 1.4517817042693202
Energy: 0.018377234028697606
Energy: 1.4517817042693202

minimum gb energy = 0.018148379026339482 eV
minimum distance =  2.41577135029355 Angstroms
sigma value = 1


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

Energy: 1.4473567668405434
Energy: 1.4536191949928234
Energy: 1.3891333601149234
Energy: 1.4536191949928234
Energy: 1.4157331907812314
Energy: 1.4601448441373164
Energy: 1.4185789699183846
Energy: 1.4601448441373164
Energy: 1.3579821060057218
Energy: 1.4369870733231878
Energy: 1.3901026662876155
Energy: 1.4369870733231878
Energy: 1.3962229396031198
Energy: 1.4534186969682275
Energy: 1.3733526977278814
Energy: 1.4534186969690288
Energy: 1.3803884746783215
Energy: 1.459884738758253
Energy: 1.4006736661347516
Energy: 1.4598847387598564
Energy: 1.357349119505514
Energy: 1.653198348063378
Energy: 1.3422756861916247
Energy: 1.6531983480625763
Energy: 1.4199649710124385
Energy: 1.4360276896967858
Energy: 1.3588842552963867
Energy: 1.4360276896967858
Energy: 1.2745500791415485
Energy: 1.4630305645372716
Energy: 1.3394316100870796
Energy: 1.4630305645380732
Energy: 1.373400286141896
Energy: 1.6929624645255532
Energy: 1.4287842262992372
Energy: 1.6929624645255532
Energy: 1.3530888847252664
Energy: 1.4354988708445802
Energy: 1.265008083663421
Energy: 1.4354988708445802
Energy: 1.4332461737008246
Energy: 1.449028539031709
Energy: 1.3734537222137033
Energy: 1.4490285390309074
Energy: 1.3964700172511388
Energy: 1.4633615073685626
Energy: 1.3699180779421174
Energy: 1.463361507367761
Energy: 1.4157121765198644
Energy: 1.4304400816811083
Energy: 1.444601612542786
Energy: 1.4304400816811083
Energy: 1.396633454147966
Energy: 1.4467635903232845
Energy: 1.3664636897777227
Energy: 1.4467635903232845
Energy: 1.3966441920015535
Energy: 1.4538809055109747
Energy: 1.3901760362916769
Energy: 1.453880905510173
Energy: 1.3967916355219858
Energy: 1.4536593964022713
Energy: 1.4155616930467074
Energy: 1.4536593964022713
Energy: 1.3900025954395214
Energy: 1.4368769970649757
Energy: 1.3197958761181166
Energy: 1.4368769970649757
Energy: 1.418653990589043
Energy: 1.4360562612560326
Energy: 1.4408076968910775
Energy: 1.4360562612560326
Energy: 1.3058818519171755
Energy: 1.4593957067317371
Energy: 1.3621413435924279
Energy: 1.4593957067325387
Energy: 1.441909995198812
Energy: 1.916204027383451
Energy: 1.376319938691966
Energy: 1.9162040273826495
Energy: 1.341134930298804
Energy: 1.4370318947942269
Energy: 1.2889397837209273
Energy: 1.4370318947942269
Energy: 1.3731585846524217
Energy: 1.6423850701846743
Energy: 1.4170699251299141
Energy: 1.6423850701846743
Energy: 1.398423179539861
Energy: 1.4600844225442342
Energy: 1.3271697942664837
Energy: 1.4600844225442342
Energy: 1.3813067436142925
Energy: 1.437288687203383
Energy: 1.356864724702835
Energy: 1.4372886872025812
Energy: 1.3585015895623433
Energy: 1.6506085724004262
Energy: 1.4198053332675586
Energy: 1.6506085724012278
Energy: 1.3830177485686213
Energy: 1.4629435577938226
Energy: 1.3458515411333318
Energy: 1.4629435577946241
Energy: 1.4050339310891098
Energy: 1.64240513359779
Energy: 1.3733351311928443
Energy: 1.6424051335993932
Energy: 1.3380824382910204
Energy: 1.432817802213186
Energy: 1.3921561524171595
Energy: 1.4328178022123845
Energy: 1.4146028873102037
Energy: 1.4531375479964643
Energy: 1.4081276590916445
Energy: 1.4531375479964643
Energy: 1.531422859411863
Energy: 1.4549222504563177
Energy: 1.4020652198901564
Energy: 1.4549222504571193
Energy: 1.419763910528829
Energy: 1.4441290088219045
Energy: 1.415421885384612
Energy: 1.4441290088219045
Energy: 1.393908963468254
Energy: 1.4325631204376685
Energy: 1.3970245012448559
Energy: 1.4325631204368667
Energy: 1.3806837050688336
Energy: 1.4774701149633698
Energy: 1.3762262368253049
Energy: 1.4774701149641714

minimum gb energy = 1.265008083663421 eV
minimum distance =  2.23587423718431 Angstroms
sigma value = 1


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

Energy: 1.732248440810881
Energy: 1.5583226114909288
Energy: 1.4939529421872848
Energy: 1.5583226114918427
Energy: 1.4584696178071686
Energy: 1.5330482993394394
Energy: 1.4765683965155045
Energy: 1.5330482993403534
Energy: 1.402247160172909
Energy: 1.5616347001990676
Energy: 1.4510749572091668
Energy: 1.5616347001981534
Energy: 1.4223818384928766
Energy: 1.46304596789767
Energy: 1.401132108103539
Energy: 1.46304596789767
Energy: 1.4224942262267661
Energy: 1.5272348783762126
Energy: 1.440618350041666
Energy: 1.5272348783743848
Energy: 1.486570356680224
Energy: 1.5270175880475123
Energy: 1.4434646937018385
Energy: 1.5270175880502541
Energy: 1.4644633871917565
Energy: 1.6491350349193283
Energy: 1.3939074403548213
Energy: 1.6491350349220706
Energy: 1.3161639286235762
Energy: 1.5616210078958594
Energy: 1.3922174289595814
Energy: 1.5616210078958594
Energy: 1.4165517918967494
Energy: 2.0367701510826155
Energy: 1.502248368963116
Energy: 2.036770151081702
Energy: 1.4414549801418288
Energy: 1.5617275416105698
Energy: 1.3814910992074023
Energy: 1.5617275416105698
Energy: 1.4641763006086375
Energy: 1.508813255723165
Energy: 1.4767697011266243
Energy: 1.5088132557240792
Energy: 1.3672479575883405
Energy: 1.5403605342217095
Energy: 1.4540380274713627
Energy: 1.5403605342235374
Energy: 1.511347687612281
Energy: 1.5218520152738941
Energy: 1.450338096943687
Energy: 1.5218520152738941
Energy: 1.477188009602108
Energy: 1.522116308478403
Energy: 1.4501502372473045
Energy: 1.5221163084802312
Energy: 1.3673217718782773
Energy: 1.5405031794206414
Energy: 1.4464457643645954
Energy: 1.5405031794197273
Energy: 1.4643279228109511
Energy: 1.5088307049909722
Energy: 1.4765892439767743
Energy: 1.508830704991886
Energy: 1.4414577986361485
Energy: 1.5617207714117278
Energy: 1.402789733741929
Energy: 1.5617207714126418
Energy: 1.416359222110096
Energy: 2.0365126532765503
Energy: 1.502104122986676
Energy: 2.0365126532765503
Energy: 1.316214666991963
Energy: 1.5616598538775717
Energy: 1.394414901935491
Energy: 1.5616598538793998
Energy: 1.4647851258357163
Energy: 1.648946604251668
Energy: 1.3957752029605843
Energy: 1.6489466042525822
Energy: 1.4866929927138353
Energy: 1.5267124489258956
Energy: 1.432740835700523
Energy: 1.5267124489258956
Energy: 1.422548172486184
Energy: 1.5268303145909472
Energy: 1.4614001354990767
Energy: 1.5268303145900333
Energy: 1.4222968653040007
Energy: 1.4631467241494507
Energy: 1.4212109740246224
Energy: 1.4631467241494507
Energy: 1.4020858778996212
Energy: 1.561851036155858
Energy: 1.4560303991993244
Energy: 1.56185103615403
Energy: 1.4583757756811022
Energy: 1.5330303599825432
Energy: 1.476336776577666
Energy: 1.5330303599825432
Energy: 1.732248440810881
Energy: 1.5583226114909288
Energy: 1.49395293882972
Energy: 1.5583226114918427
Energy: 1.4584696178071686
Energy: 1.5330482993403534
Energy: 1.4765683965155045
Energy: 1.5330482993403534
Energy: 1.402247160172909
Energy: 1.5616347001990676
Energy: 1.4602064345637553
Energy: 1.5616347001981534
Energy: 1.4223818384928766
Energy: 1.46304596789767
Energy: 1.401132108103539
Energy: 1.463045967896756

minimum gb energy = 1.3161639286235762 eV
minimum distance =  2.20330828125537 Angstroms
sigma value = 25


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

Energy: 1.5567104023410774
Energy: 1.6250182895317868
Energy: 1.578336379573383
Energy: 1.6250182895317868
Energy: 1.5537558523806734
Energy: 1.5943308384958452
Energy: 1.5022925183941962
Energy: 1.5943308384958452
Energy: 1.4749378476813135
Energy: 1.6864360736709518
Energy: 1.5057377538192322
Energy: 1.6864360736698893
Energy: 1.4964838130874403
Energy: 1.545839189973938
Energy: 1.4518781173248558
Energy: 1.545839189973938
Energy: 1.45335321697442
Energy: 1.6312493510652284
Energy: 1.539221762708629
Energy: 1.6312493510652284
Energy: 1.5750480875442632
Energy: 1.6863835971539587
Energy: 1.700489957867262
Energy: 1.6863835971539587
Energy: 1.560277340814716
Energy: 1.7633284774134708
Energy: 1.4985442944347949
Energy: 1.7633284774134708
Energy: 1.630415207206844
Energy: 1.631044020320775
Energy: 1.3953286011410722
Energy: 1.631044020320775
Energy: 1.4979414505449826
Energy: 1.5753115927253651
Energy: 1.5518863860356278
Energy: 1.5753115927264278
Energy: 1.52483053709732
Energy: 1.6859609998075646
Energy: 1.4366800528046761
Energy: 1.6859609998075646
Energy: 1.5342616648755778
Energy: 1.624736892400286
Energy: 1.4996749383270802
Energy: 1.624736892400286
Energy: 1.5004387663350693
Energy: 1.6246156807372374
Energy: 1.4995967183439802
Energy: 1.6246156807372374
Energy: 1.5055176870574125
Energy: 1.616606616932711
Energy: 1.4368042066960847
Energy: 1.616606616932711
Energy: 1.4985397138009011
Energy: 1.581105321068047
Energy: 1.5599682647504285
Energy: 1.581105321068047
Energy: 1.4429141489196564
Energy: 1.6327975567546409
Energy: 1.3929009832351946
Energy: 1.6327975567546409
Energy: 1.5539508761794905
Energy: 1.7637469537851918
Energy: 1.4550151647007954
Energy: 1.7637469535462171
Energy: 1.3682854498840389
Energy: 1.6864988110452557
Energy: 1.3682759566576745
Energy: 1.686498811044193
Energy: 1.4520194884262507
Energy: 1.593405702064373
Energy: 1.5377569229062873
Energy: 1.5934057020654355
Energy: 1.494753190715703
Energy: 1.6265274631687954
Energy: 1.4547400495054406
Energy: 1.6265274631687954
Energy: 1.5820900928425412
Energy: 1.6860267812464653
Energy: 1.5064858835116401
Energy: 1.6860267812464653
Energy: 1.51563770274077
Energy: 1.5860450916966844
Energy: 1.5001746814642782
Energy: 1.586045091695622
Energy: 1.5655243590714172
Energy: 1.625694948506732
Energy: 1.569136460035242
Energy: 1.625694948506732
Energy: 1.5529013801790277
Energy: 1.604275924950909
Energy: 1.5050836923755573
Energy: 1.604275924950909
Energy: 1.473518881150678
Energy: 1.6849740604293806
Energy: 1.5244149394678705
Energy: 1.6849740604293806
Energy: 1.4994896320354698
Energy: 1.5464065800615574
Energy: 1.4519006694102496
Energy: 1.5464065800615574

minimum gb energy = 1.3682759566576745 eV
minimum distance =  2.20104223595686 Angstroms
sigma value = 9


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

Energy: 1.6587840771159257
Energy: 1.6598545167627876
Energy: 1.6364567325005908
Energy: 1.6598545167652936
Energy: 1.549826483132047
Energy: 1.6922939208196097
Energy: 1.563813080741901
Energy: 1.6922939208196097
Energy: 1.550125427337596
Energy: 1.616162236022527
Energy: 1.5909497703823787
Energy: 1.61616223662181
Energy: 1.8577199161382592
Energy: 1.604637901704682
Energy: 1.4725351267455051
Energy: 1.604637901707217
Energy: 1.6739801121730253
Energy: 1.6859896147117845
Energy: 1.7823544876577686
Energy: 1.6859896147117845
Energy: 1.4144364505744442
Energy: 1.7045627401868002
Energy: 1.5977991937768483
Energy: 1.7045627401855326
Energy: 1.575191953249066
Energy: 1.5965803728357244
Energy: 1.4730283676753986
Energy: 1.5965803728357244
Energy: 1.5676836874226183
Energy: 1.7044528106130212
Energy: 1.4582500587912497
Energy: 1.7044528106142889
Energy: 1.5759876476307466
Energy: 1.692408561889623
Energy: 1.6549769347207364
Energy: 1.692408561889623
Energy: 1.6006349523830086
Energy: 1.6585174881822435
Energy: 1.5973764550986542
Energy: 1.6585174881809759
Energy: 1.4965441647331164
Energy: 1.7015186275066576
Energy: 1.5832629161494944
Energy: 1.7015186275066576
Energy: 1.7089882500699798
Energy: 1.6664844553143883
Energy: 1.4726228568994917
Energy: 1.6664844553143883
Energy: 1.4141964781638916
Energy: 1.7027782934280742
Energy: 1.526149449363024
Energy: 1.7027782934280742
Energy: 1.569488950797652
Energy: 2.2836901594672163
Energy: 1.5629254716638985
Energy: 2.283690159465949
Energy: 1.4142240607685612
Energy: 1.6161568317666923
Energy: 1.5672646411377515
Energy: 1.61615683176796
Energy: 1.70954484990233
Energy: 1.6664217388095315
Energy: 1.4726234330763988
Energy: 1.666421738808264
Energy: 1.4948740294208969
Energy: 1.7014383263907567
Energy: 1.5569590397560489
Energy: 1.701438326389489
Energy: 1.600768612380526
Energy: 1.6587683409415905
Energy: 1.5972478217153612
Energy: 1.6587683409415905
Energy: 1.5760071268847817
Energy: 1.6924509837914643
Energy: 1.6548928685635367
Energy: 1.6924509837889579
Energy: 1.5676584262850533
Energy: 1.7042786218071828
Energy: 1.4579211654203936
Energy: 1.7042786218071828
Energy: 1.5751954078500852
Energy: 1.5967944105487595
Energy: 1.4731018773185514
Energy: 1.5967944105500267

minimum gb energy = 1.4141964781638916 eV
minimum distance =  2.24649850965188 Angstroms
sigma value = 25


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

Energy: 1.4969762216637716
Energy: 1.8215782163625807
Energy: 1.786483711176499
Energy: 1.8215782163625807
Energy: 1.4638921758307737
Energy: 1.6624305027129094
Energy: 1.4390739439871123
Energy: 1.6624305027129094
Energy: 1.6637903598319732
Energy: 1.8456965013353144
Energy: 1.439287745976655
Energy: 1.8456965013353144
Energy: 1.7230796394054924
Energy: 1.6532395764555536
Energy: 1.6549187080238719
Energy: 1.6532395764555536
Energy: 1.6524255214680352
Energy: 1.4631866207587125
Energy: 1.5039412642547598
Energy: 1.4631866207587125
Energy: 1.4395662908864468
Energy: 1.889855921000648
Energy: 1.6626613933433187
Energy: 1.8898559210022152
Energy: 1.5024152423769837
Energy: 1.681075761346822
Energy: 1.6634243810449725
Energy: 1.681075761346822
Energy: 1.6609976614080006
Energy: 1.825549556207154
Energy: 1.5017897507570312
Energy: 1.825549556207154
Energy: 1.4393689496965987
Energy: 1.6623077762936995
Energy: 1.4650869155581538
Energy: 1.6623077762936995
Energy: 1.7112899085433735
Energy: 1.7051147819120065
Energy: 1.6630322963706856
Energy: 1.7051147819120065
Energy: 1.5387132106950276
Energy: 1.83505788138838
Energy: 1.8426472996331928
Energy: 1.83505788138838
Energy: 1.4393477860152113
Energy: 1.6245745543444232
Energy: 1.7123370549999832
Energy: 1.6245745543444232
Energy: 1.63347965442485
Energy: 1.845580177220314
Energy: 1.4391260866180766
Energy: 1.845580177220314
Energy: 1.439531511769138
Energy: 1.6813283469859992
Energy: 1.7244163428398143
Energy: 1.6813283469859992
Energy: 1.5022903934834488
Energy: 1.8232285274446753
Energy: 1.858230806235719
Energy: 1.8232285274446753
Energy: 1.4639603538906856
Energy: 1.6640967099744377
Energy: 1.4443854636436357
Energy: 1.6640967099760051
Energy: 1.439631970436781
Energy: 1.5695173640896887
Energy: 1.7106416268052584
Energy: 1.5695173640896887

minimum gb energy = 1.4390739439871123 eV
minimum distance =  2.28752579522063 Angstroms
sigma value = 17


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

Energy: 1.6872202272897312
Energy: 1.696860380873712
Energy: 1.901338037292133
Energy: 1.6968603808728242
Energy: 1.7201166362933649
Energy: 1.5706760010732792
Energy: 1.477370502443995
Energy: 1.5706760010732792
Energy: 1.8488204981400627
Energy: 1.8159724200284038
Energy: 1.4765236451775412
Energy: 1.8159724200275158
Energy: 1.6137047799848476
Energy: 1.8365199153803484
Energy: 1.6693042331026433
Energy: 1.8365199153812364
Energy: 1.7450965790982318
Energy: 1.7438959832678118
Energy: 1.5835325881141264
Energy: 1.7438959832678118
Energy: 1.501686474069068
Energy: 1.6683717786855043
Energy: 1.6978135312666132
Energy: 1.6683717786855043
Energy: 1.575096761540638
Energy: 1.6579570886785995
Energy: 1.5757519202582773
Energy: 1.6579570886777117
Energy: 1.693393895567478
Energy: 1.668478170799075
Energy: 1.4994387959208861
Energy: 1.6684781707804313
Energy: 1.5028252164365277
Energy: 1.8346740838279716
Energy: 1.7121660353683854
Energy: 1.8346740838270836
Energy: 1.8468456511672642
Energy: 1.6402267683702823
Energy: 1.4777801667542478
Energy: 1.6402267683702823
Energy: 1.4826247395783303
Energy: 1.711139492864933
Energy: 1.8575753552960301
Energy: 1.711139492864933
Energy: 1.5925618173650593
Energy: 1.6555389797648252
Energy: 1.5928965769766419
Energy: 1.6555389797648252
Energy: 1.721138819461563
Energy: 1.698645824521067
Energy: 1.661723173120578
Energy: 1.6986458245219547
Energy: 1.4767514830366457
Energy: 1.8483136993144633
Energy: 1.7082853427709177
Energy: 1.8483136993118
Energy: 1.6294534283930335
Energy: 1.6576949426764873
Energy: 1.6565019167974595
Energy: 1.6576949426764873
Energy: 1.7077454384312114
Energy: 1.6797261685565832
Energy: 1.6928108232154424
Energy: 1.679726168532613
Energy: 1.575214157693639
Energy: 1.7297717279985803
Energy: 1.8681832588621083
Energy: 1.7297717279976925
Energy: 1.665401659335632
Energy: 1.6787652003094888
Energy: 1.502379268474011
Energy: 1.6787652003094888
Energy: 1.5714188036344694
Energy: 1.730147771009413
Energy: 1.7065985512039088
Energy: 1.7301477710085253
Energy: 1.5776996400181498
Energy: 1.8353859640971486
Energy: 1.6322111339031253
Energy: 1.8353859640971486
Energy: 1.578658081240497
Energy: 1.8155477245274418
Energy: 1.6896329497221816
Energy: 1.815547724446694
Energy: 1.57693048776496
Energy: 1.7672270288284024
Energy: 1.8409071581616951
Energy: 1.7672270288284024
Energy: 1.6880522393336066
Energy: 1.83179274976973
Energy: 1.476445059290064
Energy: 1.83179274976973
Energy: 1.5943621266719932
Energy: 1.6575484097434299
Energy: 1.6917352960068537
Energy: 1.6575484097434299
Energy: 1.665705427999437
Energy: 1.8154673555825709
Energy: 1.707261371212243
Energy: 1.8154673555834588
Energy: 1.7713207367776538
Energy: 1.8310972584577974
Energy: 1.478285369946228
Energy: 1.8310972584586853
Energy: 1.5782001985443321
Energy: 1.7803485574161313
Energy: 1.8863557840756455
Energy: 1.7803485574161313
Energy: 1.6976885982155263
Energy: 1.6801750121838053
Energy: 1.7019795894491758
Energy: 1.680175012185581
Energy: 1.8461552725450097
Energy: 1.8524140814007715
Energy: 1.5791347746618756
Energy: 1.8524140814007715
Energy: 1.4996917503223908
Energy: 1.7309302884480426
Energy: 1.667269477430913
Energy: 1.7309302884471547

minimum gb energy = 1.476445059290064 eV
minimum distance =  2.17938680006745 Angstroms
sigma value = 53


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

Energy: 1.3922879857184938
Energy: 1.391946397688507
Energy: 1.8447548638717821
Energy: 1.391946397688507
Energy: 1.7034209270746519
Energy: 1.5685873525527894
Energy: 1.521841404271241
Energy: 1.5685873525507454
Energy: 1.3932123646841437
Energy: 1.391684340157408
Energy: 1.6422510258489913
Energy: 1.391684340157408
Energy: 1.393112691928107
Energy: 1.39159105335094
Energy: 1.5692167189072852
Energy: 1.3915910533488962
Energy: 1.703465235405318
Energy: 1.5685529507827674
Energy: 1.702024839471199
Energy: 1.5685529507827674
Energy: 1.3922879857184938
Energy: 1.391946397688507
Energy: 1.9630507941542057
Energy: 1.3919463976905506
Energy: 1.7034205556339486
Energy: 1.5685873525527894
Energy: 1.701352961498541
Energy: 1.5685873525527894
Energy: 1.3932123646841437
Energy: 1.391684340157408
Energy: 1.642250926507634
Energy: 1.391684340157408
Energy: 1.393112691928107
Energy: 1.39159105335094
Energy: 1.7013001256312632
Energy: 1.39159105335094
Energy: 1.7034649421984684
Energy: 1.5685529507827674
Energy: 1.8138936636013732
Energy: 1.5685529507827674
Energy: 1.3922879857184938
Energy: 1.391946397688507
Energy: 1.9630507941542057
Energy: 1.391946397688507
Energy: 1.703420551568532
Energy: 1.5685873525527894
Energy: 1.7013529614964973
Energy: 1.5685873525527894
Energy: 1.3932123646861876
Energy: 1.391684340157408
Energy: 1.6422509453658987
Energy: 1.391684340157408

minimum gb energy = 1.3915910533488962 eV
minimum distance =  2.26579094656674 Angstroms
sigma value = 9


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

Energy: 1.5475944175806726
Energy: 1.8260283818565501
Energy: 1.9789892899638704
Energy: 1.8260283818557936
Energy: 1.9075069390628798
Energy: 1.6143780780680113
Energy: 1.5568351310657946
Energy: 1.614378078067255
Energy: 1.539558435914201
Energy: 1.5279892991792967
Energy: 1.571715780308792
Energy: 1.5279892991808095
Energy: 1.7595645807251283
Energy: 1.884077940553659
Energy: 1.6366601865515635
Energy: 1.884077940553659
Energy: 1.7630768779491777
Energy: 1.6083751820276257
Energy: 1.5468487078783963
Energy: 1.6083751820276257
Energy: 1.5275299942439915
Energy: 1.5270590882921637
Energy: 1.7789713521632033
Energy: 1.5270590882936765
Energy: 2.0521419953923887
Energy: 1.6004176306188675
Energy: 1.5873234741914772
Energy: 1.6004176306196238
Energy: 1.5540629418888605
Energy: 1.8896211368676483
Energy: 1.7845713135232875
Energy: 1.8896211368676483
Energy: 1.5426699267017496
Energy: 1.714457568573118
Energy: 1.5265700378564426
Energy: 1.714457568570092
Energy: 1.5396833716606886
Energy: 1.6128509008292065
Energy: 1.5595357797494473
Energy: 1.6128509008299627
Energy: 1.5564225499891868
Energy: 1.6937515331917494
Energy: 1.9788364934559906
Energy: 1.69375153317889
Energy: 1.796445486381211
Energy: 1.8243367395997347
Energy: 1.5498664848842416
Energy: 1.8243367396571564
Energy: 1.5432104557976067
Energy: 1.6856321385480697
Energy: 1.8684853754893975
Energy: 1.6856321385442876
Energy: 1.788713510556978
Energy: 1.919512369989231
Energy: 1.5578429075774356
Energy: 1.9195123699899874
Energy: 1.5615364978472799
Energy: 1.7624049229435939
Energy: 1.7678731980959734
Energy: 1.7624049229428373
Energy: 1.545969278374949
Energy: 1.902289415470666
Energy: 1.7626916946695517
Energy: 1.902289415470666
Energy: 1.699093941834788
Energy: 1.7616810476823332
Energy: 1.561564284046664
Energy: 1.761681047683846
Energy: 1.5904780376019676
Energy: 1.6006193398770587
Energy: 1.8405505533703395
Energy: 1.6006193398770587
Energy: 1.8187343512772312
Energy: 1.7680613760896347
Energy: 1.5308319329536806
Energy: 1.7680613760896347
Energy: 1.5482219130321266
Energy: 1.6345418111027332
Energy: 1.7261376343493993
Energy: 1.6345418111019767
Energy: 1.7688905474853411
Energy: 1.8811500434961252
Energy: 1.7600517923793884
Energy: 1.8811500434953685
Energy: 1.7303721232622014
Energy: 1.7422471307984708
Energy: 1.5400102978176176
Energy: 1.7422471307984708
Energy: 1.5271138805535238
Energy: 1.7674966460092933
Energy: 1.5431306531607312
Energy: 1.7674966460077803
Energy: 1.972342266344036
Energy: 1.6892615462746763
Energy: 1.5545129944473641
Energy: 1.6892615462739198
Energy: 1.5574780498060303
Energy: 1.829179170575012
Energy: 1.950104518021502
Energy: 1.8291791705742553
Energy: 1.6664467414880157
Energy: 1.5279769899156384
Energy: 1.5392073349572601
Energy: 1.5279769899156384
Energy: 1.6947674432996893
Energy: 1.7484023511293476
Energy: 1.7431079530594393
Energy: 1.7484023511142186
Energy: 1.5478932646509864
Energy: 1.8844261348710294
Energy: 1.7440759296198307
Energy: 1.884426134871786
Energy: 1.658454254212128
Energy: 1.5271445945388804
Energy: 1.5381439879703145
Energy: 1.5271445945388804
Energy: 1.556943683981047
Energy: 1.8289156572053868
Energy: 1.9519570683865934
Energy: 1.8289156572053868
Energy: 1.8738620880028496
Energy: 1.6914672059783689
Energy: 1.553056894552855
Energy: 1.6914672059783689
Energy: 1.5275252130440715
Energy: 1.60401763290644
Energy: 1.5395513979310247
Energy: 1.6040176329049272
Energy: 1.5571516685279347
Energy: 1.7500305426771363
Energy: 1.5386640051581562
Energy: 1.75003054267638
Energy: 1.775168970446894
Energy: 1.8840263475355672
Energy: 1.7593595452891397
Energy: 1.884026347534811
Energy: 1.5463623897510297
Energy: 1.807622774222547
Energy: 2.072241128223309
Energy: 1.807622774222547

minimum gb energy = 1.5265700378564426 eV
minimum distance =  2.20449620349973 Angstroms
sigma value = 73


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

Energy: 1.67555954607161
Energy: 1.6808727417743206
Energy: 1.8827561776401984
Energy: 1.680872741781522
Energy: 1.8338704435021518
Energy: 1.6762906372513475
Energy: 1.5400297473873457
Energy: 1.6762906372501474
Energy: 1.5905705323883665
Energy: 1.5388403834327364
Energy: 1.54666918224006
Energy: 1.5388403834327364
Energy: 1.5634247569581168
Energy: 1.779764060645588
Energy: 1.6772556304606014
Energy: 1.779764060645588
Energy: 1.675285391518802
Energy: 1.6775636008638257
Energy: 1.5972044501225517
Energy: 1.6775636008638257
Energy: 1.6038976907411202
Energy: 1.8294913226646377
Energy: 1.8861785335926626
Energy: 1.8294913226646377
Energy: 2.0110039082766593
Energy: 1.7645032345824065
Energy: 1.6283988438050192
Energy: 1.7645032345836065
Energy: 1.5605254218952889
Energy: 1.5386984163626802
Energy: 1.9044511128730666
Energy: 1.5386984163638806
Energy: 1.9520326320715413
Energy: 1.5396101460752445
Energy: 1.538767749760456
Energy: 1.5396101460752445
Energy: 1.5902974613508427
Energy: 1.6849465396639816
Energy: 1.5920935127418412
Energy: 1.6849465396639816
Energy: 1.5578845064427709
Energy: 1.5389230631661397
Energy: 1.8865091815512958
Energy: 1.5389230631673398
Energy: 1.8344379081203686
Energy: 1.7781436366369348
Energy: 1.5639365376997187
Energy: 1.7781436366369348
Energy: 1.5929615991584054
Energy: 1.6384785426725432
Energy: 1.870615843688673
Energy: 1.6384785426725432
Energy: 1.8791940797666498
Energy: 1.7601208288917762
Energy: 1.600232684649322
Energy: 1.7601208288917762
Energy: 1.5677395041735018
Energy: 1.831962382641521
Energy: 1.9481469298153635
Energy: 1.8319623826426938
Energy: 1.884452126815379
Energy: 1.541751819678655
Energy: 1.561045648891385
Energy: 1.5417518196798552
Energy: 1.6694516639569104
Energy: 1.6761084660826282
Energy: 1.5965149439663457
Energy: 1.676108466069426
Energy: 1.669755642272993
Energy: 1.7871306902447486
Energy: 1.5965335125303701
Energy: 1.7871306902447486
Energy: 1.8203212658716341
Energy: 1.5387725020701832
Energy: 1.5579602838367317
Energy: 1.5387725020689833
Energy: 1.6124309063528293
Energy: 1.7251781952558523
Energy: 2.0056884057094475
Energy: 1.7251781952558523
Energy: 1.9232583447558502
Energy: 1.8307948089714872
Energy: 1.601259949894003
Energy: 1.8307948089714872
Energy: 1.677060366470526
Energy: 1.6908420813831124
Energy: 1.7603837782964529
Energy: 1.6908420813831124

minimum gb energy = 1.5386984163626802 eV
minimum distance =  2.21807857467177 Angstroms
sigma value = 7


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

Energy: 1.5774359699757332
Energy: 1.57801141717012
Energy: 1.9229253813988567
Energy: 1.5780114171718174
Energy: 1.9703472041235244
Energy: 1.697086918972854
Energy: 1.5979564827531347
Energy: 1.6970869189711568
Energy: 1.5630392641436717
Energy: 1.8185015608871082
Energy: 1.6388123238488657
Energy: 1.8185015608862598
Energy: 1.6562824941429417
Energy: 1.6720039992658762
Energy: 1.6128454494846916
Energy: 1.6720039992658762
Energy: 1.5839375408698375
Energy: 1.6780633961133768
Energy: 1.568845319658562
Energy: 1.6780633961142257
Energy: 1.5667008422483382
Energy: 1.5776332155781798
Energy: 1.9222293551827359
Energy: 1.5776332155790285
Energy: 1.8805576502483137
Energy: 1.8652801507599361
Energy: 1.618997198561766
Energy: 1.8652801507616332
Energy: 1.5663468358565895
Energy: 1.5781768929971645
Energy: 2.0466110058391487
Energy: 1.5781768929988618
Energy: 1.8327410528994086
Energy: 1.653017054340836
Energy: 1.6103762259489791
Energy: 1.653017054339139
Energy: 1.5809122615292528
Energy: 1.67387643963093
Energy: 1.7566169088733075
Energy: 1.6738764396292325
Energy: 1.6950058835668367
Energy: 1.8200096037865798
Energy: 1.6951137731418537
Energy: 1.8200096037865798
Energy: 1.5788835364024967
Energy: 1.6785077896280276
Energy: 1.6579460905313814
Energy: 1.6785077896271792
Energy: 1.5777808845472063
Energy: 1.5789864402171554
Energy: 1.6600110857986066
Energy: 1.578986440218004
Energy: 1.6394727046255868
Energy: 1.5665396624692036
Energy: 1.6391744377325905
Energy: 1.5665396624675063
Energy: 1.5779616483270043
Energy: 1.878130162697139
Energy: 1.9321842353298544
Energy: 1.878130162697139
Energy: 2.009070802900383
Energy: 1.5659418916695929
Energy: 1.5830133179413444
Energy: 1.5659418916695929
Energy: 1.597597886187339
Energy: 1.6784599046271376
Energy: 1.822490233291457
Energy: 1.6784599046245914
Energy: 1.5691603030285268
Energy: 1.8133943199588114
Energy: 1.657558676093546
Energy: 1.8133943199605085
Energy: 1.597249099214525
Energy: 1.5777263121316538
Energy: 1.672388305801207
Energy: 1.5777263121325025
Energy: 1.580150965015029
Energy: 1.6557333024997678
Energy: 1.6718273252770746
Energy: 1.655733302498919
Energy: 1.6961744312132494
Energy: 1.8225292068923213
Energy: 1.6095943244696003
Energy: 1.8225292068931698
Energy: 1.5914368931776126
Energy: 1.5784184237256627
Energy: 1.8312733816651845
Energy: 1.5784184237256627
Energy: 1.9396165917596144
Energy: 1.7705899865394406
Energy: 1.605581571745179
Energy: 1.7705899865411376
Energy: 1.5832245414552615
Energy: 1.5788113503583208
Energy: 2.020207078818015
Energy: 1.578811350360828
Energy: 1.6688808892659321
Energy: 1.6561238735825277
Energy: 1.5861147401058406
Energy: 1.6561238735808306
Energy: 1.6328358680033064
Energy: 1.8177082447089845
Energy: 1.6463960428809221
Energy: 1.8177082447106816
Energy: 1.583375036038668
Energy: 1.6735732645762533
Energy: 1.6006987693426096
Energy: 1.673573264577102
Energy: 1.6343765027332646
Energy: 1.6785323289833773
Energy: 1.6126611316092776
Energy: 1.6785323289850744
Energy: 1.5619556002831043
Energy: 1.5794864085881288
Energy: 1.8100088184033767
Energy: 1.5794864085881288
Energy: 1.8153283057508425
Energy: 1.6242583199322134
Energy: 1.5980680165495285
Energy: 1.6242583199296676
Energy: 1.5621070421545797
Energy: 1.5787624918285057
Energy: 1.8371494652566178
Energy: 1.5787624918302028

minimum gb energy = 1.5619556002831043 eV
minimum distance =  2.20314575688154 Angstroms
sigma value = 29


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

Energy: 1.5211046992575543
Energy: 1.4833361821678686
Energy: 1.7125250730103014
Energy: 1.4833361821678686
Energy: 1.6720501929009353
Energy: 1.5225465106297487
Energy: 1.5893157868331091
Energy: 1.5225465106291578
Energy: 1.6019469114318634
Energy: 1.5758360974420411
Energy: 1.6014253296018623
Energy: 1.5758360974417454
Energy: 1.519287471535524
Energy: 1.4535023336060844
Energy: 1.6444662092522968
Energy: 1.4535023336060844
Energy: 1.5216358254915014
Energy: 1.5362580947808822
Energy: 1.6541112136569627
Energy: 1.5362580947808822
Energy: 1.6015221358618905
Energy: 1.576600495624179
Energy: 1.6014942248912263
Energy: 1.5766004956238835
Energy: 1.5536772645537127
Energy: 1.5365205312904842
Energy: 1.5215218578166159
Energy: 1.5365205312910422
Energy: 1.6443601917721935
Energy: 1.453648052109228
Energy: 1.5193823673258744
Energy: 1.4536480521095236
Energy: 1.6014342040241258
Energy: 1.575792002508761
Energy: 1.6720312194676776
Energy: 1.5757920025081698

minimum gb energy = 1.4535023336060844 eV
minimum distance =  2.26144676441304 Angstroms
sigma value = 5


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

Energy: 1.499197368621284
Energy: 1.5085080749028739
Energy: 1.7430782176570663
Energy: 1.5085080749028739
Energy: 1.7081941323781424
Energy: 1.4785481658560475
Energy: 1.5017706909071304
Energy: 1.4785481658560475
Energy: 1.477807370573861
Energy: 1.4971030138076662
Energy: 1.7330709921963598
Energy: 1.4971030138076662
Energy: 1.4818460973956376
Energy: 1.5687659371143983
Energy: 1.4731576401210493
Energy: 1.5687659371152
Energy: 1.4787256711521974
Energy: 1.5753498123640652
Energy: 1.687247555527748
Energy: 1.5753498123656684
Energy: 1.5688153130543263
Energy: 1.5099876451127672
Energy: 1.4537854124207188
Energy: 1.5099876451127672
Energy: 1.4530856792873161
Energy: 1.5731084860507771
Energy: 1.4710534779299405
Energy: 1.5731084860507771
Energy: 1.4640164470237826
Energy: 1.5087809067932723
Energy: 1.4811056749481308
Energy: 1.5087809067900657
Energy: 1.4654001749423295
Energy: 1.5729015830087905
Energy: 1.4744209101645969
Energy: 1.572901583009592
Energy: 1.469122459984015
Energy: 1.5738108914157056
Energy: 1.4959008457129808
Energy: 1.5738108914157056
Energy: 1.508110832341912
Energy: 1.5093860178117537
Energy: 1.4787472856245931
Energy: 1.5093860178117537
Energy: 1.4860059334112146
Energy: 1.5815819079953417
Energy: 1.574870153400817
Energy: 1.5815819079961435
Energy: 1.5703447430185289
Energy: 1.5085104026051501
Energy: 1.5142811480799323
Energy: 1.508510402605952
Energy: 1.4895771257973667
Energy: 1.509532714327703
Energy: 1.5207811427959725
Energy: 1.5095327143285049
Energy: 1.5537825372694816
Energy: 1.465817258222831
Energy: 1.4787852966363655
Energy: 1.465817258222831
Energy: 1.47118602379229
Energy: 1.4971918481042927
Energy: 1.7247728656484957
Energy: 1.4971918481050943
Energy: 1.7145336706571894
Energy: 1.4900127617754773
Energy: 1.4981258254540522
Energy: 1.4900127617746757
Energy: 1.4763637957481242
Energy: 1.5083848419088683
Energy: 1.875068060097702
Energy: 1.5083848419096697
Energy: 1.4756060764237455
Energy: 1.5768244656077621
Energy: 1.4566671825102475
Energy: 1.5768244656085637
Energy: 1.4644597392773515
Energy: 1.6489985764777866
Energy: 1.4806647445690886
Energy: 1.6489985764785884
Energy: 1.4797908414635137
Energy: 1.5647240517257204
Energy: 1.4690622429896438
Energy: 1.5647240517249188
Energy: 1.5061903272822788
Energy: 1.5735888166178198
Energy: 1.4659188456541266
Energy: 1.5735888166178198
Energy: 1.4806640933907227
Energy: 1.508756477843334
Energy: 1.4741960324046122
Energy: 1.5087564778441358
Energy: 1.5090811070094483
Energy: 1.5176125198707597
Energy: 1.480203592230959
Energy: 1.5176125198843877
Energy: 1.5073468395076668
Energy: 1.5008288784310528
Energy: 1.478755900273461
Energy: 1.500828878447086
Energy: 1.495504733575464
Energy: 1.5088471562480195
Energy: 1.4793905132253293
Energy: 1.5088471562496228
Energy: 1.4806884826457931
Energy: 1.556196883627463
Energy: 1.5514102926868456
Energy: 1.5561968836282645
Energy: 1.7505467032418538
Energy: 1.5780063058931004
Energy: 1.4713042737968347
Energy: 1.5780063058922988
Energy: 1.4858294937091316
Energy: 1.4788644880714146
Energy: 1.5143483855625621
Energy: 1.4788644880722162
Energy: 1.8778253345664162
Energy: 1.5079852386084536
Energy: 1.4763905238275197
Energy: 1.5079852386076518
Energy: 1.4611799131741616
Energy: 1.4815558795215233
Energy: 1.6434711683426249
Energy: 1.4815558795215233
Energy: 1.6900329344962584
Energy: 1.5702067795756314
Energy: 1.4758350670320903
Energy: 1.5702067795780363
Energy: 1.4740679160385923
Energy: 1.5685211213842845
Energy: 1.4587712442024505
Energy: 1.5685211213834827

minimum gb energy = 1.4530856792873161 eV
minimum distance =  2.20156365124724 Angstroms
sigma value = 1


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

Energy: 1.4495876191446915
Energy: 1.4495030492558207
Energy: 1.7211354803295245
Energy: 1.4495030492547123
Energy: 1.5121377359662371
Energy: 1.4020782246972887
Energy: 1.427912309097425
Energy: 1.4020782246972887
Energy: 1.3948907363063168
Energy: 1.4500459584313563
Energy: 1.6384573907815023
Energy: 1.4500459584313563
Energy: 1.6966448277311568
Energy: 1.5296388874442903
Energy: 1.4098330872241815
Energy: 1.529638887445399
Energy: 1.3953434213265892
Energy: 1.4485220183816734
Energy: 1.687086720021634
Energy: 1.4485220183816734
Energy: 1.396218591180543
Energy: 1.5296121296783185
Energy: 1.4099950240612085
Energy: 1.5296121296772098
Energy: 1.3892518626055292
Energy: 1.5705261801819914
Energy: 1.47813102821128
Energy: 1.5705261801819914
Energy: 1.388969351575496
Energy: 1.4515112121275418
Energy: 1.5087786351177344
Energy: 1.4515112121286504
Energy: 1.4488207626476908
Energy: 1.450135120899409
Energy: 1.4693678953366316
Energy: 1.4501351208983007
Energy: 1.4489109323414344
Energy: 1.4500963076836653
Energy: 1.4802816280691888
Energy: 1.4500963076836653
Energy: 1.3889433794220551
Energy: 1.4515342909283537
Energy: 1.5086746298186875
Energy: 1.4515342909283537
Energy: 1.3955191203352066
Energy: 1.570510870600338
Energy: 1.415611566062119
Energy: 1.570510870600338
Energy: 1.3975410707911597
Energy: 1.529320796494689
Energy: 1.4099629026294234
Energy: 1.5293207964957978
Energy: 1.395316808413834
Energy: 1.4485212740296312
Energy: 1.6051339022095026
Energy: 1.4485212740296312
Energy: 1.6967480912375126
Energy: 1.5296575746978582
Energy: 1.4095644045846167
Energy: 1.5296575747000751
Energy: 1.3946577201457913
Energy: 1.450060428147242
Energy: 1.5711450424272906
Energy: 1.450060428147242
Energy: 1.512242193731529
Energy: 1.402088908904812
Energy: 1.4278783141723201
Energy: 1.40208890890592
Energy: 1.4495876191446915
Energy: 1.4495030492558207
Energy: 1.7303963909139977
Energy: 1.4495030492547123
Energy: 1.5121377359673458
Energy: 1.4020782246972887
Energy: 1.427912309097425
Energy: 1.4020782246972887
Energy: 1.3948907363074254
Energy: 1.4500459584313563
Energy: 1.9025926945927216
Energy: 1.4500459584313563
Energy: 1.696644874622189
Energy: 1.529638887445399
Energy: 1.4098330872252898
Energy: 1.529638887445399
Energy: 1.3953434213276976
Energy: 1.4485220183816734
Energy: 1.687086720021634
Energy: 1.4485220183816734
Energy: 1.3962185911794343
Energy: 1.5296121296772098
Energy: 1.4099950240612085
Energy: 1.5296121296772098
Energy: 1.3892518626055292
Energy: 1.5705261801831
Energy: 1.47813102821128
Energy: 1.5705261801831

minimum gb energy = 1.3889433794220551 eV
minimum distance =  2.21838656616504 Angstroms
sigma value = 17


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

Energy: 1.4347481696389017
Energy: 1.4350178323880638
Energy: 1.729638291807107
Energy: 1.4350178323880638
Energy: 1.6699594736450534
Energy: 1.4219653149350602
Energy: 1.4022006019924225
Energy: 1.4219653149350602
Energy: 1.3998495013777854
Energy: 1.4186530213745538
Energy: 1.705849620861231
Energy: 1.4186530213752389
Energy: 1.5402150746401704
Energy: 1.387900305521266
Energy: 1.396463016929271
Energy: 1.387900305521951
Energy: 1.396559997294594
Energy: 1.5158149127308187
Energy: 1.737853849418243
Energy: 1.515814912731504
Energy: 1.3901829999742468
Energy: 1.661075074338695
Energy: 1.4141887573646799
Energy: 1.6610750743380103
Energy: 1.4245646781852244
Energy: 1.4936436818080066
Energy: 1.467705479345466
Energy: 1.4936436818059513
Energy: 1.4167473375305022
Energy: 1.671654342203193
Energy: 1.407518068344009
Energy: 1.671654342202508
Energy: 1.4335727347662077
Energy: 1.6715663231548588
Energy: 1.5160003987846022
Energy: 1.6715663231541735
Energy: 1.417986548650424
Energy: 1.4823135446682059
Energy: 1.4030415118586017
Energy: 1.4823135446702613
Energy: 1.3911602756443653
Energy: 1.4544042447582044
Energy: 1.4035403758987932
Energy: 1.4544042447582044
Energy: 1.3899611616535543
Energy: 1.4864116915148804
Energy: 1.4172745468204482
Energy: 1.4864116915155656
Energy: 1.3879400715970802
Energy: 1.6611876295109735
Energy: 1.4011621913729149
Energy: 1.6611876295123438
Energy: 1.4206808169887906
Energy: 1.5142611994496806
Energy: 1.4341699043898792
Energy: 1.5142611994489954
Energy: 1.4604740052727296
Energy: 1.6539860450751678
Energy: 1.4466280670169218
Energy: 1.6539860450751678
Energy: 1.4050530136166637
Energy: 1.419426934253448
Energy: 1.7570996682268423
Energy: 1.4194269342527632
Energy: 1.4527199537380686
Energy: 1.6522842236297488
Energy: 1.4009345451278234
Energy: 1.6522842236290638
Energy: 1.3905016045502925
Energy: 1.43523616355616
Energy: 1.7050381016595317
Energy: 1.43523616355616
Energy: 1.5950728203198186
Energy: 1.4886191362925818
Energy: 1.4018611032295865
Energy: 1.4886191362918968
Energy: 1.4077439413652884
Energy: 1.4196235917799436
Energy: 1.7665543896077804
Energy: 1.4196235917799436
Energy: 1.431686984453926
Energy: 1.4120191950961032
Energy: 1.4219079926199132
Energy: 1.4120191950954182
Energy: 1.4222174406270374
Energy: 1.6865457296417132
Energy: 1.5939870834655263
Energy: 1.6865457296423987
Energy: 1.7917655808185895
Energy: 1.4043496672616083
Energy: 1.4100788260193688
Energy: 1.4043496672616083
Energy: 1.4018889794726752
Energy: 1.4959091906220314
Energy: 1.6050212989568375
Energy: 1.4959091906220314
Energy: 1.7181900178477516
Energy: 1.4360502184509345
Energy: 1.392714208217216
Energy: 1.4360502184495643
Energy: 1.4037180152299735
Energy: 1.5158295147397656
Energy: 1.4470100628637337
Energy: 1.5158295147383956
Energy: 1.588712534329753
Energy: 1.4747792314199197
Energy: 1.396981383722902
Energy: 1.4747792314192343
Energy: 1.4472436672248723
Energy: 1.651937511723069
Energy: 1.46082889646177
Energy: 1.651937511723754
Energy: 1.4338524776063797
Energy: 1.5137023378184318
Energy: 1.417439818130102
Energy: 1.5137023378177463
Energy: 1.418846548066317
Energy: 1.4709279610013846
Energy: 1.4712650491237498
Energy: 1.4709279610027546
Energy: 1.3972969275480758
Energy: 1.5115162801072384
Energy: 1.3898904006086532
Energy: 1.5115162801065534
Energy: 1.4592747436220055
Energy: 1.6456606758462995
Energy: 1.4005183530580732
Energy: 1.6456606758545205
Energy: 1.397362680660903
Energy: 1.4830853223955232
Energy: 1.6159331233762075
Energy: 1.483085322392783
Energy: 1.5201829296957927
Energy: 1.675595331820636
Energy: 1.416013989438994
Energy: 1.675595331820636
Energy: 1.3917114385956424
Energy: 1.4365016016668215
Energy: 1.4458914392669802
Energy: 1.4365016016675067
Energy: 1.4675362833625856
Energy: 1.4948030883344572
Energy: 1.4225309709665042
Energy: 1.4948030883324022
Energy: 1.410200194020755
Energy: 1.6602112191362013
Energy: 1.3933663923056483
Energy: 1.660211219134831
Energy: 1.4545395456420926
Energy: 1.5176566735806492
Energy: 1.40578793641134
Energy: 1.517656673579964

minimum gb energy = 1.387900305521266 eV
minimum distance =  2.21227279554359 Angstroms
sigma value = 89


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

Energy: 1.2709035038629615
Energy: 1.271148350482311
Energy: 1.6884241338432717
Energy: 1.271148350482311
Energy: 1.2713370920534626
Energy: 1.3111637239610041
Energy: 1.2927567747238833
Energy: 1.3111637239610041
Energy: 1.2893746136570154
Energy: 1.488848353085878
Energy: 2.101096249331181
Energy: 1.488848353085878
Energy: 1.6101611685311599
Energy: 1.311288337259441
Energy: 1.2932354447455205
Energy: 1.311288337259441
Energy: 1.288888880635505
Energy: 1.3858367563783827
Energy: 2.0015193946758827
Energy: 1.3858367563783827
Energy: 1.288989969621809
Energy: 1.2716287134868094
Energy: 1.2704473513214665
Energy: 1.2716287134868094
Energy: 1.2895335911387926
Energy: 1.4892579447034813
Energy: 1.2709086716596405
Energy: 1.4892579447034813
Energy: 1.2986338423982473
Energy: 1.747035424219899
Energy: 1.29242212399204
Energy: 1.747035424219899
Energy: 1.288840427678114
Energy: 1.3859213465866507
Energy: 1.3407190378149418
Energy: 1.3859213465866507
Energy: 1.310961753960282
Energy: 1.6433295183347172
Energy: 1.2888675438654726
Energy: 1.6433295183365098
Energy: 1.2705878146322611
Energy: 1.3119751606937309
Energy: 1.2890062970856575
Energy: 1.3119751606937309
Energy: 1.2708286838675191
Energy: 1.4849773578202972
Energy: 1.292727337807142
Energy: 1.4849773578202972
Energy: 1.2888967215586213
Energy: 1.272326310278374
Energy: 1.3082825065479293
Energy: 1.272326310278374
Energy: 1.2889285510167945
Energy: 1.381748064349823
Energy: 1.2890036926859467
Energy: 1.3817480643516153
Energy: 1.2946564857715035
Energy: 1.2723126634520356
Energy: 1.2889211638956741
Energy: 1.2723126634520356

minimum gb energy = 1.2704473513214665 eV
minimum distance =  2.23727058374478 Angstroms
sigma value = 13


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

Energy: 1.2724352236087697
Energy: 1.6692814454594334
Energy: 1.8955668171126034
Energy: 1.6692814454616873
Energy: 1.6097160906767718
Energy: 1.6907757064381606
Energy: 1.229321623331572
Energy: 1.690775706441166
Energy: 1.2393063544871117
Energy: 1.7331040829414126
Energy: 1.4752467184234062
Energy: 1.7331040829429156
Energy: 1.2598340734072304
Energy: 1.690249437530699
Energy: 1.2271781095800631
Energy: 1.6902494375299477
Energy: 1.246177740587618
Energy: 1.5082285503047097
Energy: 1.3107835999870157
Energy: 1.5082285503144768
Energy: 1.25527304479017
Energy: 1.4829866185398197
Energy: 1.2461903358974187
Energy: 1.4829866185428249
Energy: 1.2456290134684243
Energy: 1.7017283019647484
Energy: 1.6953788489883668
Energy: 1.7017283019639968
Energy: 1.2712471015479574
Energy: 1.7553551373873741
Energy: 1.2463610899494606
Energy: 1.7553551373866227
Energy: 1.2461807364083832
Energy: 1.7007374793173886
Energy: 1.4323730904140382
Energy: 1.7007374793173886
Energy: 1.47146213967918
Energy: 1.5290032482410039
Energy: 1.2274275382475177
Energy: 1.5290032482492681
Energy: 1.2460644404003225
Energy: 1.5282269554887
Energy: 1.2598875684473603
Energy: 1.5282269554909542
Energy: 1.6157612943580897
Energy: 1.5306179171754084
Energy: 1.2350355661532375
Energy: 1.5306179171693979
Energy: 1.2870914271644087
Energy: 1.4721208876093117
Energy: 1.237618625126209
Energy: 1.4721208876093117
Energy: 1.634465217785289
Energy: 1.5297819079110695
Energy: 1.23621106432489
Energy: 1.5297819079140749
Energy: 1.2459235084172635
Energy: 1.7388636087444704
Energy: 1.2373540307597966
Energy: 1.7388636087437193
Energy: 1.2279699745657335
Energy: 1.5291703436580155
Energy: 1.2243486998554958
Energy: 1.5291703436580155
Energy: 1.2431698294074616
Energy: 1.4987734944865312
Energy: 1.2243141412363034
Energy: 1.498773494490288
Energy: 1.2605461510387297
Energy: 1.6961446672332208
Energy: 1.2422141176050312
Energy: 1.6961446672317182
Energy: 1.2427496017725475
Energy: 1.8062635498882538
Energy: 1.24228604540737
Energy: 1.8062635498859996
Energy: 1.2426366640121937
Energy: 1.697450534464466
Energy: 1.2421354884412796
Energy: 1.697450534464466
Energy: 1.2595013964611956
Energy: 1.6959295630000912
Energy: 1.242401188596802
Energy: 1.6959295629963347
Energy: 1.2425148691441485
Energy: 1.4987716511193858
Energy: 1.2241730920583567
Energy: 1.4987716511186346
Energy: 1.2281198070481398
Energy: 1.529448397089142
Energy: 1.2236081917081434
Energy: 1.5294483970831312
Energy: 1.2458572477675518
Energy: 1.7278743760133963
Energy: 1.2661898633005622
Energy: 1.7278743760081368
Energy: 1.635655348207969
Energy: 1.5298672912979707
Energy: 1.235941759430926
Energy: 1.5298672912949656
Energy: 1.2868243978589504
Energy: 1.4718771818663199
Energy: 1.266267414724057
Energy: 1.471877181867071
Energy: 1.6157536244345687
Energy: 1.529831097321323
Energy: 1.235647965478367
Energy: 1.5298310973250793
Energy: 1.2461548404711362
Energy: 1.5278690224451625
Energy: 1.2596513896926376
Energy: 1.527869022451173
Energy: 1.4590895622467945
Energy: 1.5307145019925275
Energy: 1.2273918607944516
Energy: 1.5307145018633672
Energy: 1.2459655054291416
Energy: 1.7007245351285258
Energy: 1.6171900174911058
Energy: 1.7007245351300286
Energy: 1.271013603755757
Energy: 1.7558024315166108
Energy: 1.2463114253187944
Energy: 1.7558024315173621
Energy: 1.2456606523703766
Energy: 1.7025468843051046
Energy: 1.7819889854850062
Energy: 1.7025468843020992
Energy: 1.2567352774231457
Energy: 1.4845324698668478
Energy: 1.2461682666242646
Energy: 1.4845324698706046
Energy: 1.2457493844530778
Energy: 1.5075646287722424
Energy: 1.3107375286158633
Energy: 1.5075646287722424
Energy: 1.2603366125964175
Energy: 1.690432308711008
Energy: 1.2272611526998338
Energy: 1.690432308709505

minimum gb energy = 1.2236081917081434 eV
minimum distance =  2.13966070798715 Angstroms
sigma value = 37


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

Energy: 1.1731006209469326
Energy: 1.1727522696985286
Energy: 1.5424823242938062
Energy: 1.1727522696985286
Energy: 1.2639468503210671
Energy: 1.5062899577773654
Energy: 1.1296940493671654
Energy: 1.5062899577773654
Energy: 1.1407068924113049
Energy: 1.8613417024423131
Energy: 1.951169286977092
Energy: 1.8613417024423131
Energy: 1.1174606492178476
Energy: 1.5061871351020986
Energy: 1.1296160526110592
Energy: 1.506187135100806
Energy: 1.1275585881075663
Energy: 1.5054527194126135
Energy: 1.5645759095885838
Energy: 1.5054527194126135
Energy: 1.895524679981811
Energy: 1.5060989982501396
Energy: 1.1218003093998936
Energy: 1.5060989982501396
Energy: 1.1612134772231673
Energy: 1.8662633406444593
Energy: 1.456893246975387
Energy: 1.8662633406444593
Energy: 1.1275202752002058
Energy: 1.1728932730026564
Energy: 1.1765501408424233
Energy: 1.1728932730026564
Energy: 1.1276578865669327
Energy: 1.523246068349919
Energy: 1.6293398616743853
Energy: 1.5232460683512117
Energy: 1.949312903117612
Energy: 1.537646593887806
Energy: 1.1217552650378475
Energy: 1.537646593887806
Energy: 1.16104894911701
Energy: 1.8600073491422138
Energy: 1.1178567472076248
Energy: 1.8600073491422138
Energy: 1.5123079523003469
Energy: 1.172240436079038
Energy: 1.1297902262629227
Energy: 1.1722404360803305
Energy: 1.1173623048826609
Energy: 1.523285722146635
Energy: 1.1402671456678442
Energy: 1.523285722146635
Energy: 1.454606486855156
Energy: 1.8610318890371051
Energy: 1.1272496280937954
Energy: 1.8610318890371051
Energy: 1.1723015562391044
Energy: 1.2289795723019534
Energy: 1.1274136275523614
Energy: 1.2289795723006607
Energy: 1.1725726518957038
Energy: 1.5235155184171596
Energy: 1.1297554023693153
Energy: 1.5235155184184521
Energy: 1.1173580744759275
Energy: 1.5370756291697478
Energy: 1.1766614267296975
Energy: 1.5370756291697478
Energy: 1.1176956337572
Energy: 1.8646313320970647
Energy: 1.1273439484456016
Energy: 1.8646313320970647
Energy: 1.1273283205879405
Energy: 1.1731925498342803
Energy: 1.1274147447784206
Energy: 1.1731925498342803
Energy: 1.1275055799836222
Energy: 1.5235331224971178
Energy: 1.1175716224636179
Energy: 1.5235331224971178

minimum gb energy = 1.1173580744759275 eV
minimum distance =  2.23383998626153 Angstroms
sigma value = 25


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

Energy: 1.0848286490045136
Energy: 1.5676505589825636
Energy: 1.480196909189218
Energy: 1.567650558983573
Energy: 1.3506327300338803
Energy: 1.587102229462342
Energy: 1.0296434112692334
Energy: 1.5871022294613326
Energy: 1.023624400158265
Energy: 1.0236118807611712
Energy: 1.92336867379209
Energy: 1.0236118807621806
Energy: 1.1058406990257648
Energy: 1.5881485448918464
Energy: 1.0296843459995035
Energy: 1.5881485448918464
Energy: 1.0321214481539063
Energy: 1.5878903206635933
Energy: 1.466065832950995
Energy: 1.5878903206625838
Energy: 1.4661558686230878
Energy: 1.5883477479473294
Energy: 1.02971304042974
Energy: 1.5883477479483388
Energy: 1.0326174518665028
Energy: 1.3005421606233267
Energy: 1.3038112720817656
Energy: 1.3005421606253458
Energy: 1.4823717733819175
Energy: 1.3560212331946264
Energy: 1.0258234534099546
Energy: 1.3560212331936168
Energy: 1.0319904656625976
Energy: 1.5869163431990343
Energy: 1.4677823571431465
Energy: 1.5869163431990343
Energy: 1.0036349896546508
Energy: 1.5626512959599828
Energy: 1.0869574434542684
Energy: 1.5626512959589736
Energy: 1.032547801144182
Energy: 1.3007982124776631
Energy: 1.519549822901041
Energy: 1.3007982124776631
Energy: 1.7905525302104222
Energy: 1.6287248417792168
Energy: 1.025844162919097
Energy: 1.6287248417792168
Energy: 1.0319904933395414
Energy: 1.5881117344755278
Energy: 1.2632515412934522
Energy: 1.5881117344755278
Energy: 1.7673699429941758
Energy: 1.6237158272672465
Energy: 1.029739075899692
Energy: 1.6237158272682561
Energy: 1.0324413088185347
Energy: 1.300800690898144
Energy: 0.9981656300748069
Energy: 1.3008006908971346
Energy: 1.3134893222405144
Energy: 1.6850253704487075
Energy: 1.030343564033341
Energy: 1.6850253704487075
Energy: 1.03194523880517
Energy: 1.3555010513650112
Energy: 1.0170275842628251
Energy: 1.3555010513650112
Energy: 1.2882482239520334
Energy: 1.5875147974546995
Energy: 1.0296359081572615
Energy: 1.5875147974546995
Energy: 1.0927792075843814
Energy: 1.5616372659516957
Energy: 1.0044303412659334
Energy: 1.561637265952705
Energy: 1.513678878135781
Energy: 1.6507115011600733
Energy: 1.030221285758002
Energy: 1.6507115011600733
Energy: 1.0291065121595084
Energy: 1.6782589544360957
Energy: 1.009416939173897
Energy: 1.6782589544360957
Energy: 1.0235902059176147
Energy: 1.5873609123750654
Energy: 1.030087039527964
Energy: 1.5873609123750654
Energy: 1.0324105123316913
Energy: 1.6219223487552934
Energy: 1.3294607616184275
Energy: 1.6219223487542842
Energy: 0.9979850405496874
Energy: 1.6363023059192618
Energy: 1.0307923596965824
Energy: 1.636302305917243
Energy: 1.0303034823083295
Energy: 1.6783807055469515
Energy: 1.3132135327523071
Energy: 1.6783807055469515
Energy: 1.0041757122328552
Energy: 1.3555884112771104
Energy: 1.0233771919983226
Energy: 1.3555884112761007

minimum gb energy = 0.9979850405496874 eV
minimum distance =  2.15685369977363 Angstroms
sigma value = 41


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

Energy: 1.3627954685592227
Energy: 1.41153178051434
Energy: 1.4009374289769014
Energy: 1.411531780515995
Energy: 1.3919368724154537
Energy: 1.3925642022310665
Energy: 0.9247942803224469
Energy: 1.392564202231894
Energy: 0.9523243526660621
Energy: 1.3810234052955277
Energy: 1.6665423182768846
Energy: 1.3810234052955277
Energy: 1.191057153566083
Energy: 1.3940726235252454
Energy: 0.9247560605220682
Energy: 1.3940726235244179
Energy: 0.9183635581400345
Energy: 1.4317124679195894
Energy: 0.9969734817114371
Energy: 1.4317124679195894
Energy: 0.9906693645644873
Energy: 1.393152112613652
Energy: 0.9245727340692858
Energy: 1.393152112613652
Energy: 0.9234107460919752
Energy: 1.3932647039059916
Energy: 1.1722424213585416
Energy: 1.3932647039068191
Energy: 1.3941550081974918
Energy: 1.1859392703705207
Energy: 0.9196758962316818
Energy: 1.1859392703705207
Energy: 0.928421768800275
Energy: 1.4816544664082745
Energy: 1.550278129437218
Energy: 1.4816544664082745
Energy: 1.7836604839369172
Energy: 1.38230979322902
Energy: 0.9536498273121361
Energy: 1.382309793227365
Energy: 0.9235366253572673
Energy: 1.3934584793319411
Energy: 1.5180765444073316
Energy: 1.3934584793335962
Energy: 0.9098072849082643
Energy: 1.4118578930143664
Energy: 1.3436474708309012
Energy: 1.4118578930143664
Energy: 0.9283892718288465
Energy: 1.4827557085871477
Energy: 1.5977457297692286
Energy: 1.4827557085888028
Energy: 1.6644214278210143
Energy: 1.5396832535642846
Energy: 0.9535908458063325
Energy: 1.5396832535634568
Energy: 0.9235852598203915
Energy: 1.393090049514679
Energy: 1.3317435029078306
Energy: 1.393090049514679
Energy: 1.6508390256480077
Energy: 1.4146447575027217
Energy: 0.9196826291105544
Energy: 1.4146447575035495
Energy: 0.9283513734481711
Energy: 1.4824986359860746
Energy: 1.123952461520243
Energy: 1.4824986359852468
Energy: 1.1856659527890119
Energy: 1.5403141463616492
Energy: 0.9245845770923731
Energy: 1.5403141463624765
Energy: 0.9234625930450279
Energy: 1.1855637008639164
Energy: 0.9054638071194221
Energy: 1.1855637008647442
Energy: 1.1740295330652377
Energy: 1.4800886669900233
Energy: 0.9278875027595944
Energy: 1.4800886669900233
Energy: 0.9571345709764325
Energy: 1.4823799177425634
Energy: 0.9186300825880946
Energy: 1.4823799177433912
Energy: 1.508784757239411
Energy: 1.5584576181287624
Energy: 0.9246985668451102
Energy: 1.5584576181287624
Energy: 1.3433048099963352
Energy: 1.4079601268320396
Energy: 0.9096142211918756
Energy: 1.4079601268320396
Energy: 1.3431925629723123
Energy: 1.4808723188214432
Energy: 0.9278512912770001
Energy: 1.4808723188222706
Energy: 0.9572248152533849
Energy: 1.5452521932500058
Energy: 0.9264440670832312
Energy: 1.5452521932500058
Energy: 1.3237777039956409
Energy: 1.55955537539043
Energy: 0.924725771032072
Energy: 1.55955537539043
Energy: 0.9236365483865419
Energy: 1.478441792474899
Energy: 1.1866787081016514
Energy: 1.478441792474899
Energy: 0.9187843250808416
Energy: 1.48026424043003
Energy: 0.9281560159050721
Energy: 1.48026424043003
Energy: 0.9284571757721407
Energy: 1.54287226437119
Energy: 1.1854369494913013
Energy: 1.5428722643720176
Energy: 0.905107648045442
Energy: 1.526276484791864
Energy: 0.929555503193668
Energy: 1.526276484791864
Energy: 0.9237980688090639
Energy: 1.4780825192623617
Energy: 1.1736532032825953
Energy: 1.4780825192631892
Energy: 0.9099251095200277
Energy: 1.4798130346744116
Energy: 0.9630649518502812
Energy: 1.4798130346735843

minimum gb energy = 0.905107648045442 eV
minimum distance =  2.13398477489825 Angstroms
sigma value = 15


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

Energy: 1.235198977391626
Energy: 1.4117286628569365
Energy: 1.3392627314756278
Energy: 1.4117286628555343
Energy: 1.4129100313827632
Energy: 1.336009039073325
Energy: 0.8639300082256389
Energy: 1.336009039072624
Energy: 0.8925908413050243
Energy: 1.2579670105307967
Energy: 1.5686131346442018
Energy: 1.2579670105307967
Energy: 1.2424220980571477
Energy: 1.335915451726255
Energy: 0.8638014226194243
Energy: 1.335915451726255
Energy: 0.8599562479522405
Energy: 1.3493249944582735
Energy: 1.3351867673879583
Energy: 1.3493249944582735
Energy: 1.072589429890003
Energy: 1.3370296948921312
Energy: 0.863862472116063
Energy: 1.3370296948928322
Energy: 0.8628452525579281
Energy: 1.2708498661329448
Energy: 1.0626003558865733
Energy: 1.2708498661322438
Energy: 0.90285902557944
Energy: 1.2736192626835656
Energy: 0.8636921591047169
Energy: 1.2736192626814629
Energy: 0.8662552903245689
Energy: 1.4195610702179677
Energy: 1.2406340969830194
Energy: 1.4195610702179677
Energy: 1.3359249917950409
Energy: 1.3343864829927126
Energy: 0.8607569901443829
Energy: 1.3343864829920116
Energy: 0.8630347418589088
Energy: 1.3354136934136323
Energy: 1.389283690383172
Energy: 1.3354136934143332
Energy: 1.7626939145187437
Energy: 1.258874329738775
Energy: 0.8933181733843236
Energy: 1.258874329738775
Energy: 0.8663427085133402
Energy: 1.4203143562940637
Energy: 1.4948836131569934
Energy: 1.420314356293363
Energy: 0.8363069230536738
Energy: 1.4094137012755656
Energy: 1.2207846107009392
Energy: 1.4094137012748644
Energy: 0.8629718486706188
Energy: 1.3352728107225456
Energy: 1.5333352359689785
Energy: 1.3352728107218441
Energy: 1.5662300681399937
Energy: 1.2589451577099087
Energy: 0.8931189054084173
Energy: 1.2589451577120119
Energy: 0.8662278752484157
Energy: 1.4201464560657475
Energy: 1.3464204952802816
Energy: 1.4201464560650465
Energy: 1.5576843939517762
Energy: 1.421164132240501
Energy: 0.8606516892723582
Energy: 1.421164132240501
Energy: 0.8631491466713123
Energy: 1.3345696099825777
Energy: 1.1922116042589181
Energy: 1.3345696099832784
Energy: 1.0648786116884108
Energy: 1.3277878359076776
Energy: 0.863888842580333
Energy: 1.3277878359069764
Energy: 0.8661825823905405
Energy: 1.363201066994088
Energy: 1.0207115872008856
Energy: 1.363201066994088
Energy: 1.0743908549349956
Energy: 1.4152521150462098
Energy: 0.8698936447204506
Energy: 1.4152521150455089
Energy: 0.8629152540372731
Energy: 1.336308557016159
Energy: 0.8325206911505239
Energy: 1.336308557019664
Energy: 1.3892485016233942
Energy: 1.3281659832215371
Energy: 0.8639083913512452
Energy: 1.3281659832222381
Energy: 0.8954786571877106
Energy: 1.3651054546809864
Energy: 0.8389503990958089
Energy: 1.3651054546809864
Energy: 1.3639110908239274
Energy: 1.419671009785921
Energy: 0.8699604072045602
Energy: 1.419671009785921
Energy: 1.2194857375502939
Energy: 1.4079821112293336
Energy: 0.8365637986353283
Energy: 1.4079821112293336
Energy: 1.5232918770480282
Energy: 1.3335699442425348
Energy: 0.863894050180657
Energy: 1.3335699442425348
Energy: 0.8955742360091576
Energy: 1.4441976505968082
Energy: 0.8369121386274794
Energy: 1.4441976505968082
Energy: 1.195804562762477
Energy: 1.4190524225626189
Energy: 0.8699358173743136
Energy: 1.4190524225619179
Energy: 0.8630035779746491
Energy: 1.4178010570449253
Energy: 1.0738235955209512
Energy: 1.4178010570456263
Energy: 1.1837724419381848
Energy: 1.3425437777175389
Energy: 0.8639503110670028
Energy: 1.3425437777182396
Energy: 0.8661194685518232
Energy: 1.4501759336833642
Energy: 1.0716379647437682
Energy: 1.4501759336833642
Energy: 0.8407388002509834
Energy: 1.3620011576014388
Energy: 0.870050852651979
Energy: 1.3620011576014388
Energy: 0.85751270344915
Energy: 1.4199198376690247
Energy: 1.0728386010237663
Energy: 1.419919837669726
Energy: 0.8324963941503136
Energy: 1.3333960053037266
Energy: 0.8670761873846695
Energy: 1.3333960053030256
Energy: 0.8660647538196817
Energy: 1.4501839785672832
Energy: 1.3895116812949357
Energy: 1.4501839785665822

minimum gb energy = 0.8324963941503136 eV
minimum distance =  2.23654840478042 Angstroms
sigma value = 85


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

Energy: 1.2341943638220603
Energy: 1.342481806273739
Energy: 1.2742603386247315
Energy: 1.3424818062719148
Energy: 1.5011728518855512
Energy: 1.2437532959998772
Energy: 0.792517991598318
Energy: 1.243753295998053
Energy: 1.1969510270155954
Energy: 1.1854869521835463
Energy: 0.9636919554771908
Energy: 1.185486952182938
Energy: 1.356903102344894
Energy: 1.246163468206419
Energy: 0.7924971676579076
Energy: 1.246163468206419
Energy: 0.9108894997146053
Energy: 1.1849123839604794
Energy: 0.8844745806818318
Energy: 1.1849123839592632
Energy: 1.2352691794235444
Energy: 1.1854696002300864
Energy: 0.7923310103706607
Energy: 1.1854696002294784
Energy: 0.8701886340532808
Energy: 1.1245259848003801
Energy: 1.0305090912084818
Energy: 1.1245259848003801
Energy: 1.091127880767011
Energy: 1.2427345749068017
Energy: 0.8028088831302003
Energy: 1.2427345749080174
Energy: 0.8014338633221406
Energy: 1.1509042647928454
Energy: 1.1876673259047188
Energy: 1.1509042647928454
Energy: 0.9483082416335171
Energy: 1.141959723691443
Energy: 0.870960695324719
Energy: 1.1419597236920511
Energy: 0.7920083829930727
Energy: 1.2457055698232444
Energy: 1.335257736700766
Energy: 1.2457055698208124
Energy: 1.3430135787349287
Energy: 1.2785716380826484
Energy: 0.9139295601047779
Energy: 1.2785716380820404
Energy: 0.7917661816209944
Energy: 1.150519327915443
Energy: 1.4419611774752197
Energy: 1.1505193279148351
Energy: 1.2720461676572892
Energy: 1.184086789950857
Energy: 1.1850915127006385
Energy: 1.184086789950857
Energy: 0.7924001123460896
Energy: 1.244538098526349
Energy: 1.5496210826221652
Energy: 1.244538098526349
Energy: 0.7535496473355592
Energy: 1.3056077021295474
Energy: 1.1553489618582247
Energy: 1.3056077021289394
Energy: 0.7915998954534774
Energy: 1.1541725472399438
Energy: 1.4886779374775907
Energy: 1.1541725472399438
Energy: 0.9638706279102524
Energy: 1.1843503346047353
Energy: 1.1851646722388727
Energy: 1.1843503346053432
Energy: 0.7923309884497207
Energy: 1.2462668590047392
Energy: 1.418074715408163
Energy: 1.2462668590047392
Energy: 0.9632356270587443
Energy: 1.4033397808440544
Energy: 0.9139975746772568
Energy: 1.4033397808452708
Energy: 0.7930793966448784
Energy: 1.029141982923427
Energy: 1.3448476992890543
Energy: 1.0291419829216029
Energy: 1.0308743114838999
Energy: 1.1652495877142766
Energy: 0.8711422856112381
Energy: 1.1652495877154927
Energy: 0.8023137291615003
Energy: 1.2422800029510785
Energy: 1.143171975490548
Energy: 1.2422800029510785
Energy: 1.0453605671769943
Energy: 1.3297728808292084
Energy: 0.8025795901095578
Energy: 1.3297728808292084
Energy: 0.8697890520949789
Energy: 1.0352763754771035
Energy: 0.9897384968193715
Energy: 1.0352763754771035
Energy: 1.335712364881609
Energy: 1.2422792287644153
Energy: 0.7933113370628218
Energy: 1.2422792287638074
Energy: 0.9129416150638014
Energy: 1.2776579294198414
Energy: 0.8284203997770484
Energy: 1.2776579294210575
Energy: 1.3338841156673156
Energy: 1.3290834402572598
Energy: 0.7925461240976618
Energy: 1.3290834402584757
Energy: 1.1844319187157137
Energy: 1.1825824719950708
Energy: 0.7570310459269048
Energy: 1.182582471995679
Energy: 1.549446187337452
Energy: 1.245154651742177
Energy: 0.7915466134913351
Energy: 1.245154651742785
Energy: 1.231830912958586
Energy: 1.326346502922284
Energy: 0.7545020386845117
Energy: 1.326346502922284
Energy: 1.4588149838126332
Energy: 1.3284435746127161
Energy: 0.7926345141759689
Energy: 1.3284435746127161
Energy: 1.1843627633344505
Energy: 1.182598365532014
Energy: 0.7583940752761364
Energy: 1.182598365532622
Energy: 1.4181394511023175
Energy: 1.2464495608266792
Energy: 0.7933247316523575
Energy: 1.2464495608254633
Energy: 0.9129143433683865
Energy: 1.32845492374531
Energy: 0.9640948279450942
Energy: 1.3284549237465257
Energy: 1.152248099839338
Energy: 1.3107552037206218
Energy: 0.7954300895637257
Energy: 1.310755203722446
Energy: 0.869772399732505
Energy: 1.1281004540857962
Energy: 1.0360750629142608
Energy: 1.12810045408458
Energy: 1.1431833659404795
Energy: 1.24129133751519
Energy: 0.8009159742299322
Energy: 1.24129133751519
Energy: 0.8024341959614056
Energy: 1.327756195355415
Energy: 1.0446109500503769
Energy: 1.3277561953560226
Energy: 0.840163406256649
Energy: 1.2652347599455753
Energy: 0.8729764294368736
Energy: 1.2652347599449674
Energy: 0.7915337028791205
Energy: 1.212467335537492
Energy: 1.335767930229782
Energy: 1.212467335536884
Energy: 0.8281206029596607
Energy: 1.2738702726246867
Energy: 0.9122769691511279
Energy: 1.2738702726259026
Energy: 0.7918537170547549
Energy: 1.327926402569299
Energy: 1.3340022211569686
Energy: 1.327926402569299

minimum gb energy = 0.7535496473355592 eV
minimum distance =  2.24502371302697 Angstroms
sigma value = 113


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

Energy: 0.020519071163548785
Energy: 0.021421726653335055
Energy: 1.8471558079801451
Energy: 0.021421726652867654
Energy: 1.1180138034996963
Energy: 0.4350040015957055
Energy: 0.435168525360351
Energy: 0.4350040015947707
Energy: 0.020519071163548785
Energy: 0.021421726652867654
Energy: 1.847155808025379
Energy: 0.021421726652867654
Energy: 1.118013803500631
Energy: 0.4350040015952381
Energy: 0.43516852982980225
Energy: 0.4350040015947707
Energy: 0.020519071163548785
Energy: 0.021421726653335055
Energy: 1.8471558079728223
Energy: 0.021421726653335055
Energy: 1.118013803500631
Energy: 0.4350040015957055
Energy: 0.4351685205647572
Energy: 0.4350040015947707

minimum gb energy = 0.020519071163548785 eV
minimum distance =  2.48408830019026 Angstroms
sigma value = 1