Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391771733761
cohesive_energy=4.450349977866793
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: 0.0181466697223702
Energy: 0.01840468102649385
Energy: 1.4669375667951083
Energy: 0.01840468102649385
Energy: 0.01840468102649385
Energy: 1.2243205249718219
Energy: 0.01840468102649385
Energy: 1.2243205249711608
Energy: 1.4669375667951083
Energy: 0.01840468102649385
Energy: 0.0181466697223702
Energy: 0.018404681025832845
Energy: 0.01840468102649385
Energy: 1.2243205249718219
Energy: 0.01840468102649385
Energy: 1.2243205249718219

minimum gb energy = 0.0181466697223702 eV
minimum distance =  2.42645597221575 Angstroms
sigma value = 1


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

Energy: 1.56798089666319
Energy: 1.5483711997345555
Energy: 1.4472800726501085
Energy: 1.5483711997345555
Energy: 1.4452101404086433
Energy: 1.4950026885718624
Energy: 1.453053808049602
Energy: 1.4950026885718624
Energy: 1.4030881498865613
Energy: 1.5344869154134744
Energy: 1.4889283789171186
Energy: 1.5344869154134744
Energy: 1.4369801412594658
Energy: 1.5070848205362586
Energy: 1.401580099030783
Energy: 1.5070848205362586
Energy: 1.4089932117991075
Energy: 1.554356412682124
Energy: 1.4702856773978776
Energy: 1.554356412682124
Energy: 1.3782735854205597
Energy: 1.718202178780396
Energy: 1.3769002875310339
Energy: 1.7182021787811979
Energy: 1.4493239558554292
Energy: 1.5319404174515658
Energy: 1.3800229952736431
Energy: 1.5319404174507643
Energy: 1.3209124486223818
Energy: 1.5576015698453098
Energy: 1.3764553420322525
Energy: 1.5576015698453098
Energy: 1.4006705153561598
Energy: 1.742154875836584
Energy: 1.4663639981276146
Energy: 1.742154875836584
Energy: 1.3650347743656885
Energy: 1.533176835638345
Energy: 1.3130181413601985
Energy: 1.533176835638345
Energy: 1.4731050899959943
Energy: 1.5133739167278248
Energy: 1.4006882856531142
Energy: 1.5133739167270233
Energy: 1.463393317722909
Energy: 1.5568830947646206
Energy: 1.3808502010275854
Energy: 1.5568830947646206
Energy: 1.450980179537028
Energy: 1.5305590209444797
Energy: 1.4473830513838517
Energy: 1.5305590209444797
Energy: 1.4173145752558394
Energy: 1.5392503468580698
Energy: 1.3897727754685612
Energy: 1.5392503468588716
Energy: 1.4310109612222652
Energy: 1.5493018032231975
Energy: 1.4450302698819943
Energy: 1.549301803222396
Energy: 1.429157259427714
Energy: 1.548848800501383
Energy: 1.4444975019237964
Energy: 1.5488488005005812
Energy: 1.489022605063358
Energy: 1.5344855402014859
Energy: 1.3643316647945283
Energy: 1.5344855402014859
Energy: 1.4530348274692781
Energy: 1.5033813183503668
Energy: 1.4837677723648546
Energy: 1.5033813183495648
Energy: 1.3348974904662625
Energy: 1.5544366368165674
Energy: 1.3792793459569102
Energy: 1.5544366368173692
Energy: 1.483692717069551
Energy: 1.942405546903299
Energy: 1.40316220248068
Energy: 1.942405546903299
Energy: 1.3799031367927712
Energy: 1.5345799189723606
Energy: 1.3258999001929532
Energy: 1.5345799189723606
Energy: 1.4010600653973133
Energy: 1.6656577324909632
Energy: 1.4627981954907376
Energy: 1.6656577324901614
Energy: 1.4312669775951001
Energy: 1.5545567245936804
Energy: 1.3633991175360303
Energy: 1.5545567245936804
Energy: 1.4136524455508355
Energy: 1.5303543305854093
Energy: 1.3780691387620567
Energy: 1.5303543305854093
Energy: 1.380321656997075
Energy: 1.7189013483923423
Energy: 1.4509039855258818
Energy: 1.7189013483923423
Energy: 1.40577949531548
Energy: 1.5551161673723484
Energy: 1.3945960880231396
Energy: 1.5551161673715468
Energy: 1.440610469042204
Energy: 1.7470807384994695
Energy: 1.4006715147433657
Energy: 1.7470807384994695
Energy: 1.3913191122998727
Energy: 1.53054879260119
Energy: 1.5459679340578698
Energy: 1.53054879260119
Energy: 1.4442679044834128
Energy: 1.4913146070152756
Energy: 1.4477533092164043
Energy: 1.491314607014474
Energy: 1.5148194293787434
Energy: 1.5500343444861704
Energy: 1.463246385161351
Energy: 1.5500343444853688
Energy: 1.4494455804718513
Energy: 1.5378270891094963
Energy: 1.4508984880545095
Energy: 1.5378270891102979
Energy: 1.4156944982571373
Energy: 1.5297164490384434
Energy: 1.4172002866569908
Energy: 1.529716449039245
Energy: 1.40878761705754
Energy: 1.50768485946402
Energy: 1.4059851790585811
Energy: 1.50768485946402

minimum gb energy = 1.3130181413601985 eV
minimum distance =  2.23418732035342 Angstroms
sigma value = 1


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

Energy: 1.66460140880296
Energy: 1.6473980120793459
Energy: 1.5842913417203404
Energy: 1.6473980120793459
Energy: 1.4950981619458004
Energy: 1.5878902410022189
Energy: 1.5109142747252127
Energy: 1.5878902410049611
Energy: 1.4562643335689693
Energy: 1.6505523393795483
Energy: 1.5317073350040813
Energy: 1.6505523393804622
Energy: 1.4486732171172751
Energy: 1.4632919088093623
Energy: 1.436069948568967
Energy: 1.4632919088093623
Energy: 1.4487896624975292
Energy: 1.6201578675699155
Energy: 1.528114662346425
Energy: 1.6201578675708295
Energy: 1.5502480794826974
Energy: 1.6199888481234728
Energy: 1.5320750104625425
Energy: 1.6199888481207305
Energy: 1.4952982192262194
Energy: 1.6968990203732552
Energy: 1.4687623863532404
Energy: 1.696899020370513
Energy: 1.3669791612518147
Energy: 1.6510888622142224
Energy: 1.4029780303370676
Energy: 1.6510888622169644
Energy: 1.4493771660294152
Energy: 2.0804584219354867
Energy: 1.5504792800914091
Energy: 2.0804584219354867
Energy: 1.4373715528655446
Energy: 1.6506677739460955
Energy: 1.5063870158928423
Energy: 1.6506677739451816
Energy: 1.4965091955597496
Energy: 1.5678159825589166
Energy: 1.5181306096368152
Energy: 1.5678159825598301
Energy: 1.409393987510941
Energy: 1.6319466381601802
Energy: 1.5763481888536357
Energy: 1.631946638161094
Energy: 1.5350073703256106
Energy: 1.6144922070671512
Energy: 1.4942783231771504
Energy: 1.6144922070708072
Energy: 1.534733315442417
Energy: 1.6145155529770425
Energy: 1.5179011523770312
Energy: 1.6145155529752142
Energy: 1.4092304235707125
Energy: 1.6319230787262617
Energy: 1.573455392835621
Energy: 1.6319230787271757
Energy: 1.4959282714170414
Energy: 1.5677331861561592
Energy: 1.467993319151352
Energy: 1.5677331861552453
Energy: 1.4376105273695956
Energy: 1.6503668569695846
Energy: 1.5050239511928118
Energy: 1.6503668569695846
Energy: 1.4495406498420718
Energy: 2.0796289711855156
Energy: 1.5504031570249137
Energy: 2.0796289711882574
Energy: 1.366960981077593
Energy: 1.650405911072416
Energy: 1.4208923984110644
Energy: 1.650405911072416
Energy: 1.4951843929188628
Energy: 1.696140110923441
Energy: 1.4304451269775758
Energy: 1.6961401109243552
Energy: 1.5501840470034458
Energy: 1.6200135563732252
Energy: 1.5465363792660474
Energy: 1.6200135563732252
Energy: 1.4487680967525327
Energy: 1.6208557106910284
Energy: 1.4902612272124114
Energy: 1.6208557106919423
Energy: 1.4490527729817682
Energy: 1.4631639174213045
Energy: 1.4666675813283416
Energy: 1.4631639174203903
Energy: 1.456278022839651
Energy: 1.6505666898931004
Energy: 1.5582970683456092
Energy: 1.6505666898949285
Energy: 1.4952533126245886
Energy: 1.5938085493598049
Energy: 1.5106712443955126
Energy: 1.593808549360719
Energy: 1.664601408802046
Energy: 1.6473980120793459
Energy: 1.6512142655525186
Energy: 1.6473980120793459
Energy: 1.4950981619448862
Energy: 1.5878902410022189
Energy: 1.5109142747252127
Energy: 1.5878902410040472
Energy: 1.4562643335689693
Energy: 1.6505523393795483
Energy: 1.5764976366067076
Energy: 1.6505523393804622
Energy: 1.4486732171172751
Energy: 1.4632919088102765
Energy: 1.4304759061508099
Energy: 1.4632919088093623

minimum gb energy = 1.366960981077593 eV
minimum distance =  2.23460179085951 Angstroms
sigma value = 25


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

Energy: 1.6444087331134851
Energy: 1.7251100936675994
Energy: 1.6832935091686136
Energy: 1.7251100936665367
Energy: 1.6020049606641025
Energy: 1.6820214394860258
Energy: 1.5414211984278448
Energy: 1.6820214394870883
Energy: 1.5301681558527995
Energy: 1.7660266689394146
Energy: 1.606748289545041
Energy: 1.7660266689394146
Energy: 1.5509260815095842
Energy: 1.5401085763991427
Energy: 1.5096436977502696
Energy: 1.5401085763991427
Energy: 1.5375503792231542
Energy: 1.7144929701059866
Energy: 1.5681334621866656
Energy: 1.7144929701081115
Energy: 1.6383350239838612
Energy: 1.7682466357673026
Energy: 1.6367530835035644
Energy: 1.7682466357673026
Energy: 1.5861617660222453
Energy: 1.73524058380575
Energy: 1.5249014304710076
Energy: 1.7352405838068128
Energy: 1.676198015360918
Energy: 1.7217986861212737
Energy: 1.4762403747193624
Energy: 1.7217986861202115
Energy: 1.5256695328848782
Energy: 1.6628264063501168
Energy: 1.5861485883074617
Energy: 1.6628264063501168
Energy: 1.6040578470877322
Energy: 1.7682798730720088
Energy: 1.5604243513743712
Energy: 1.7682798730709464
Energy: 1.579446686338223
Energy: 1.7137604748997126
Energy: 1.5858679049606677
Energy: 1.7137604749007753
Energy: 1.5490139459454806
Energy: 1.723387361029325
Energy: 1.5231520239114478
Energy: 1.7233873610303878
Energy: 1.5582178553263941
Energy: 1.7426526055366842
Energy: 1.5042936195785064
Energy: 1.7426526055377465
Energy: 1.5753352139487153
Energy: 1.5240592726761955
Energy: 1.5982659310256617
Energy: 1.5240592726751332
Energy: 1.4562876607656385
Energy: 1.7189344931403001
Energy: 1.4737857813725406
Energy: 1.7189344931413626
Energy: 1.547774103096616
Energy: 1.6290962443740806
Energy: 1.5374844251273272
Energy: 1.6290962443751429
Energy: 1.449377266517698
Energy: 1.769767646044425
Energy: 1.4493273968430027
Energy: 1.7697676460433622
Energy: 1.4856132359247503
Energy: 1.6518562562532848
Energy: 1.5514221355888946
Energy: 1.6518562562522223
Energy: 1.5017520648189038
Energy: 1.7392053868926154
Energy: 1.486916060826837
Energy: 1.7392053868926154
Energy: 1.6765302807152274
Energy: 1.767356386505675
Energy: 1.5575513595205062
Energy: 1.7673563865067374
Energy: 1.5389122649115667
Energy: 1.6299333403251226
Energy: 1.561597180343827
Energy: 1.6299333403272478
Energy: 1.6189881860687425
Energy: 1.7251879648072141
Energy: 1.6899707369725327
Energy: 1.7251879648072141
Energy: 1.6019333757172969
Energy: 1.6843909130553045
Energy: 1.5409643852307935
Energy: 1.6843909130553045
Energy: 1.528482609259555
Energy: 1.7649543312153446
Energy: 1.6040771855195424
Energy: 1.764954331216407
Energy: 1.5860974657903604
Energy: 1.543390206864055
Energy: 1.5097800198663212
Energy: 1.5433902068629923

minimum gb energy = 1.4493273968430027 eV
minimum distance =  2.23813927468113 Angstroms
sigma value = 9


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

Energy: 1.629865318449442
Energy: 1.63004684928502
Energy: 1.828344346705512
Energy: 1.6300468492862874
Energy: 1.5687802685945664
Energy: 1.7266186624452564
Energy: 1.5892060584035395
Energy: 1.7266186624452564
Energy: 1.6050176218456131
Energy: 1.6469348120925085
Energy: 1.5926755838594369
Energy: 1.646934812091241
Energy: 1.8990092615553114
Energy: 1.6143024490459463
Energy: 1.5197405539040054
Energy: 1.614302449047214
Energy: 1.7337684540853657
Energy: 1.7277708031840233
Energy: 1.8488278970358143
Energy: 1.7277708031840233
Energy: 1.4686373744166992
Energy: 1.6460033786964703
Energy: 1.6409198541424794
Energy: 1.6460033786964703
Energy: 1.5839511913914266
Energy: 1.5188865205209505
Energy: 1.519947275524481
Energy: 1.5188865205234856
Energy: 1.6666367994041074
Energy: 1.6459067333198452
Energy: 1.5021203024124947
Energy: 1.6459067333198452
Energy: 1.5846043689842717
Energy: 1.7265295614514509
Energy: 1.5896501973546247
Energy: 1.7265295614514509
Energy: 1.6231196439147038
Energy: 1.6307903633804373
Energy: 1.6408420191094144
Energy: 1.6307903633817047
Energy: 1.528411708333937
Energy: 1.7432534319132926
Energy: 1.5471335113965625
Energy: 1.7432534319132926
Energy: 1.6246788416313696
Energy: 1.7166299732901507
Energy: 1.5200004351705398
Energy: 1.7166299732901507
Energy: 1.4683433206189236
Energy: 1.6470760186738413
Energy: 1.6646595992501374
Energy: 1.647076018675109
Energy: 1.6028092756194725
Energy: 1.6014940973344334
Energy: 1.5881939166017456
Energy: 1.6014940973344334
Energy: 1.4683545485959184
Energy: 1.6470576266365462
Energy: 1.6669506595755417
Energy: 1.6470576266378139
Energy: 1.6244106027450733
Energy: 1.7166654975187912
Energy: 1.5201216884072877
Energy: 1.7166654975187912
Energy: 1.528654074424704
Energy: 1.7432754755043869
Energy: 1.620072484710702
Energy: 1.7432754755043869
Energy: 1.6231502184684323
Energy: 1.6306071081583908
Energy: 1.641007583695698
Energy: 1.6306071081583908
Energy: 1.5848209825161768
Energy: 1.7268859250585276
Energy: 1.5893617649545875
Energy: 1.7268859250585276
Energy: 1.6668159552672581
Energy: 1.646165522898838
Energy: 1.502125720266605
Energy: 1.646165522898838
Energy: 1.5841000032980384
Energy: 1.5190200126098916
Energy: 1.5201331047876199
Energy: 1.5190200126098916

minimum gb energy = 1.4683433206189236 eV
minimum distance =  2.32930115675403 Angstroms
sigma value = 25


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

Energy: 1.541353921926237
Energy: 1.8897300097473968
Energy: 1.90491898121985
Energy: 1.8897300097473968
Energy: 1.5136677194700388
Energy: 1.5557608466619421
Energy: 1.4939002989066712
Energy: 1.5557608466635096
Energy: 1.7043495879770745
Energy: 1.7947387473777618
Energy: 1.4942834596840886
Energy: 1.7947387473777618
Energy: 1.5402061655449166
Energy: 1.7782983256077523
Energy: 1.7535643914181074
Energy: 1.7782983256171576
Energy: 1.7526501777335917
Energy: 1.5133340638756692
Energy: 1.6332679696106511
Energy: 1.5133340638756692
Energy: 1.4934117485999572
Energy: 1.7945102336277525
Energy: 1.7025589744566967
Energy: 1.7945102336277525
Energy: 1.5563835189986808
Energy: 1.7350541367588093
Energy: 1.493352860130192
Energy: 1.7350541367588093
Energy: 1.7325653693572733
Energy: 1.629682318667403
Energy: 1.5403440133014354
Energy: 1.6296823186783758
Energy: 1.4941848665223387
Energy: 1.6330747224069593
Energy: 1.5159701140140611
Energy: 1.6330747224069593
Energy: 1.7931382023703224
Energy: 1.6619946802231498
Energy: 1.7023599275755468
Energy: 1.6619946802215826
Energy: 1.6471324553951456
Energy: 1.7775068957843279
Energy: 1.9858493944342166
Energy: 1.7775068957843279
Energy: 1.4937606484846377
Energy: 1.562398389797992
Energy: 1.793819768784589
Energy: 1.562398389797992
Energy: 1.7423758995715852
Energy: 1.7948105627877935
Energy: 1.4933178423849407
Energy: 1.7948105627877935
Energy: 1.4940648729641504
Energy: 1.7599373895690693
Energy: 1.7501862050268668
Energy: 1.7599373895706367
Energy: 1.493675028781442
Energy: 1.757651597637094
Energy: 1.7325556119468282
Energy: 1.7576515957647285
Energy: 1.5133453667982002
Energy: 1.6619222076860873
Energy: 1.4935132677775893
Energy: 1.6619222077315108
Energy: 1.4934204401040292
Energy: 1.6379655680986298
Energy: 1.79346310455271
Energy: 1.6379655680986298

minimum gb energy = 1.4933178423849407 eV
minimum distance =  2.32106532866047 Angstroms
sigma value = 17


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

Energy: 1.6731342248228498
Energy: 1.6736659416386954
Energy: 2.009406148791174
Energy: 1.6736659416378077
Energy: 1.763405134830125
Energy: 1.7048434419544638
Energy: 1.5267236834834916
Energy: 1.7048434419544638
Energy: 1.9352150619940076
Energy: 1.6644171873279237
Energy: 1.5250758642358526
Energy: 1.6644171873279237
Energy: 1.5278705802192463
Energy: 1.8661214574318854
Energy: 1.6836323564155589
Energy: 1.8661214574327731
Energy: 1.823871020376194
Energy: 1.6444153323656934
Energy: 1.6011921179535502
Energy: 1.6444153323656934
Energy: 1.5449888419363489
Energy: 1.696219648999944
Energy: 1.9026872658494716
Energy: 1.696219648999944
Energy: 1.527890549920498
Energy: 1.7024871793637375
Energy: 1.6149339630573687
Energy: 1.7024871793628498
Energy: 1.9340722331803197
Energy: 1.6955554550191971
Energy: 1.542994144789215
Energy: 1.6955554550191971
Energy: 1.5443658216328306
Energy: 1.6980260210364972
Energy: 1.8178569597296481
Energy: 1.6980260210356095
Energy: 1.92465600572368
Energy: 1.643124297408467
Energy: 1.5262178444867014
Energy: 1.6431242974075793
Energy: 1.5315837347334966
Energy: 1.7085887298665785
Energy: 1.931496029637018
Energy: 1.7085887298683138
Energy: 1.5443020069902935
Energy: 1.7004883897322043
Energy: 1.5445359197457234
Energy: 1.700488389733092
Energy: 1.755710528154638
Energy: 1.673651971072242
Energy: 1.679911749650976
Energy: 1.673651971072242
Energy: 1.525465784823416
Energy: 1.7230418783875066
Energy: 1.7654021205001178
Energy: 1.7230418783946084
Energy: 1.6971966402530696
Energy: 1.7034086101658585
Energy: 1.5442485188911497
Energy: 1.7034086101658585
Energy: 1.7595274236683809
Energy: 1.6944464004409334
Energy: 1.794166520976331
Energy: 1.6944464004249937
Energy: 1.6143904863533147
Energy: 1.7650954622155486
Energy: 1.9346323609957017
Energy: 1.765095462214661
Energy: 1.8749444496844747
Energy: 1.6691848139923944
Energy: 1.5447974273299583
Energy: 1.669184813990619
Energy: 1.6943726894624846
Energy: 1.7616942387074066
Energy: 1.6325574813559571
Energy: 1.7616942387065186
Energy: 1.6133476880569981
Energy: 1.866993587340175
Energy: 1.663115306358542
Energy: 1.8669935873392873
Energy: 1.658781053433302
Energy: 1.6637417269331998
Energy: 1.7885420734237543
Energy: 1.6637417269331998
Energy: 1.6135267205327342
Energy: 1.8469742099054727
Energy: 1.9602402051224117
Energy: 1.8469742099063606
Energy: 1.8092162413651938
Energy: 1.6736296595541866
Energy: 1.5247858341165303
Energy: 1.6736296595541866
Energy: 1.5443987701318072
Energy: 1.7615717175489534
Energy: 1.9156474874987415
Energy: 1.7615717175480656
Energy: 1.647587514321299
Energy: 1.664054175792182
Energy: 1.920109223014818
Energy: 1.6640541757912943
Energy: 1.8101404953744327
Energy: 1.7088749559591807
Energy: 1.526834921776676
Energy: 1.7088749559600687
Energy: 1.5674962272305024
Energy: 1.7743804074838692
Energy: 1.9914043513736777
Energy: 1.774380407484757
Energy: 1.7564523722744647
Energy: 1.6962801599424375
Energy: 1.790257301384909
Energy: 1.6962801599424375
Energy: 1.8994228686735346
Energy: 1.8111849394505248
Energy: 1.5273673558541354
Energy: 1.8111849394505248
Energy: 1.542714973816093
Energy: 1.7591608194704935
Energy: 1.8736016455720947
Energy: 1.7591608194704935

minimum gb energy = 1.5247858341165303 eV
minimum distance =  2.21524983560257 Angstroms
sigma value = 53


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

Energy: 1.4290651421331735
Energy: 1.4287322914028435
Energy: 1.9729461000137445
Energy: 1.4287322914048874
Energy: 1.7944199572717907
Energy: 1.6216729688338
Energy: 1.618581796881159
Energy: 1.6216729688338
Energy: 1.4607345443015431
Energy: 1.4286139798810114
Energy: 1.7673138464920854
Energy: 1.4286139798810114
Energy: 1.4607711652748367
Energy: 1.4287117006461798
Energy: 1.6585587784994662
Energy: 1.4287117006482233
Energy: 1.7944460674627207
Energy: 1.621616292985796
Energy: 1.8761655493557394
Energy: 1.621616292985796
Energy: 1.4290651421331735
Energy: 1.4287322914028435
Energy: 2.146353603263387
Energy: 1.4287322914048874
Energy: 1.7944199572717907
Energy: 1.6216729688338
Energy: 1.643820696085291
Energy: 1.6216729688338
Energy: 1.4607345443015431
Energy: 1.4286139798810114
Energy: 1.7673138464920854
Energy: 1.4286139798789677
Energy: 1.4607711652727928
Energy: 1.4287117006482233
Energy: 1.7902830416121631
Energy: 1.4287117006482233
Energy: 1.7944460674647646
Energy: 1.62161629298784
Energy: 1.8761655493536955
Energy: 1.621616292985796
Energy: 1.4290651421331735
Energy: 1.4287322914028435
Energy: 2.1463536032654313
Energy: 1.4287322914028435
Energy: 1.7944199572717907
Energy: 1.6216729688338
Energy: 1.7909236521507756
Energy: 1.6216729688358442
Energy: 1.4607345443015431
Energy: 1.4286139798789677
Energy: 1.7673138464920854
Energy: 1.4286139798789677

minimum gb energy = 1.4286139798789677 eV
minimum distance =  2.29631839415773 Angstroms
sigma value = 9


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

Energy: 1.5704202985981415
Energy: 1.8003368271904328
Energy: 2.147927395267465
Energy: 1.8003368271896765
Energy: 1.8945484659799874
Energy: 1.6835299557859715
Energy: 1.616545390641884
Energy: 1.6835299557852152
Energy: 1.6349734451832278
Energy: 1.554449389059983
Energy: 1.5971134462552266
Energy: 1.5544493890607394
Energy: 1.8773661616690869
Energy: 1.8852124224077333
Energy: 1.6179134772269037
Energy: 1.8852124224084899
Energy: 1.8727307233601984
Energy: 1.6446337590682911
Energy: 1.6521802453008583
Energy: 1.6446337590682911
Energy: 1.5540315642312343
Energy: 1.5529113615436516
Energy: 1.898075711758755
Energy: 1.5529113615428949
Energy: 2.1728165772221355
Energy: 1.6394081659146054
Energy: 1.6169219214471906
Energy: 1.639408165913849
Energy: 1.6463206827573087
Energy: 1.8940854729586873
Energy: 1.8974151239680956
Energy: 1.8940854729586873
Energy: 1.6380964623975984
Energy: 1.8928379321300082
Energy: 1.5528544220884266
Energy: 1.892837932131521
Energy: 1.6194298910947513
Energy: 1.6815521476449988
Energy: 1.6141751014300132
Energy: 1.6815521476449988
Energy: 1.6480276210054055
Energy: 1.8833675425445642
Energy: 2.15778699034944
Energy: 1.8833675425445642
Energy: 1.8960531699820034
Energy: 1.8199341154621596
Energy: 1.6139008174306617
Energy: 1.819934115462916
Energy: 1.6416289420235697
Energy: 1.6825025727805036
Energy: 2.0200866927509047
Energy: 1.6825025727805036
Energy: 1.8805943748003995
Energy: 1.932264753810651
Energy: 1.5761801511501305
Energy: 1.9322647538114073
Energy: 1.6208117735456649
Energy: 1.8072396515084719
Energy: 1.8587842194435567
Energy: 1.8072396515062026
Energy: 1.6467727216047936
Energy: 1.8882850924071641
Energy: 1.9064570382027868
Energy: 1.8882850924079204
Energy: 1.7513740984093555
Energy: 1.806329826118358
Energy: 1.620898615570637
Energy: 1.806329826116845
Energy: 1.6491096960236755
Energy: 1.6396665264374524
Energy: 1.8720763067599282
Energy: 1.6396665264359396
Energy: 1.9304283460262945
Energy: 1.6846081915121165
Energy: 1.557566140958269
Energy: 1.6846081915113598
Energy: 1.612681244625775
Energy: 1.6989821096737587
Energy: 1.7702043772389666
Energy: 1.6989821096730022
Energy: 1.8912846547521973
Energy: 1.8842488448974681
Energy: 1.8930976943462023
Energy: 1.8842488448951986
Energy: 1.765312987937685
Energy: 1.7813717419060127
Energy: 1.617610753067321
Energy: 1.7813717419052564
Energy: 1.5535790919962527
Energy: 1.7686988460826119
Energy: 1.6531561063228635
Energy: 1.7686988460818553
Energy: 2.167443223618263
Energy: 1.722725287652222
Energy: 1.6443856888810926
Energy: 1.7227252876529786
Energy: 1.616955090797565
Energy: 1.8420265375440492
Energy: 2.1000822061264217
Energy: 1.8420265375448055
Energy: 1.7950522944458933
Energy: 1.5535673899507387
Energy: 1.636360214422332
Energy: 1.5535673899522515
Energy: 1.8528141651388057
Energy: 1.8077236276605613
Energy: 1.8780570527818001
Energy: 1.8077236276613178
Energy: 1.5712590631731218
Energy: 1.887703069263467
Energy: 1.8790268827487997
Energy: 1.8877030692627106
Energy: 1.7308471607041083
Energy: 1.5535490139452715
Energy: 1.6338590410749465
Energy: 1.5535490139467842
Energy: 1.6161232811283397
Energy: 1.8474592654561237
Energy: 2.10134594459873
Energy: 1.8474592654576365
Energy: 2.044062650018551
Energy: 1.7216210269061816
Energy: 1.642431265810045
Energy: 1.7216210269046686
Energy: 1.5559639300787556
Energy: 1.642456601159123
Energy: 1.6350188228072
Energy: 1.6424566011583666
Energy: 1.6088887668631395
Energy: 1.7770780283955694
Energy: 1.6424850286178285
Energy: 1.777078028396326
Energy: 1.8927723822617104
Energy: 1.8824272794432637
Energy: 1.8929292522603105
Energy: 1.8824272794432637
Energy: 1.6558570785960678
Energy: 1.864377304686261
Energy: 2.177684046049563
Energy: 1.864377304686261

minimum gb energy = 1.5528544220884266 eV
minimum distance =  2.23363868240209 Angstroms
sigma value = 73


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

Energy: 1.553307915927365
Energy: 1.5529597883507267
Energy: 2.079677858706779
Energy: 1.5529597883507267
Energy: 1.6531701913600223
Energy: 1.7036950231233496
Energy: 1.5531991002593768
Energy: 1.70369502312455
Energy: 1.6791813165615481
Energy: 1.6000858829664328
Energy: 1.5720778942146796
Energy: 1.600085882967633
Energy: 1.6426088555225151
Energy: 1.7033152765394408
Energy: 1.5530407648725253
Energy: 1.7033152765394408
Energy: 1.6424246417315773
Energy: 1.6761099441049603
Energy: 1.598115972363256
Energy: 1.6761099441049603
Energy: 1.6757499139446101
Energy: 1.6005860797576006
Energy: 2.1398582768928276
Energy: 1.6005860797576006
Energy: 2.194528620324386
Energy: 1.9426313278533096
Energy: 1.6534526652441328
Energy: 1.9426313278533096
Energy: 1.6907369227564573
Energy: 1.552883182624319
Energy: 2.0916041934834264
Energy: 1.552883182624319
Energy: 2.1048593851719626
Energy: 1.5540671994423758
Energy: 1.5531954599388906
Energy: 1.5540671994411757
Energy: 1.6517075040232385
Energy: 1.7313207342200208
Energy: 1.5527680395840076
Energy: 1.7313207342200208
Energy: 1.6438231420119878
Energy: 1.5534390739451047
Energy: 2.0743343465770407
Energy: 1.5534390739463049
Energy: 1.7854020329113616
Energy: 1.7014965437895697
Energy: 1.642428239780078
Energy: 1.7014965437895697
Energy: 1.5534698182618463
Energy: 1.6759781501569526
Energy: 1.8039490020185003
Energy: 1.6759781501569526
Energy: 2.1728878704036947
Energy: 1.677424862738495
Energy: 1.6746165575098027
Energy: 1.677424862738495
Energy: 1.6445590921233229
Energy: 1.6620382743874593
Energy: 1.8647422377105967
Energy: 1.6620382743874593
Energy: 2.094709561090543
Energy: 1.5539318894041316
Energy: 1.6904797057346894
Energy: 1.5539318894041316
Energy: 1.5526729225374691
Energy: 1.5539028876628256
Energy: 1.6519684498562561
Energy: 1.5539028876628256
Energy: 1.554563464237995
Energy: 1.5543586871144148
Energy: 1.6709248401031722
Energy: 1.5543586871144148
Energy: 1.7934627772478557
Energy: 1.5530045195533955
Energy: 1.6857808581676847
Energy: 1.5530045195533955
Energy: 1.6523098811521906
Energy: 1.6907601335412346
Energy: 2.1858610026737075
Energy: 1.6907601335412346
Energy: 2.171211014918261
Energy: 1.6155220391264908
Energy: 1.7046514603197265
Energy: 1.615522039127691
Energy: 1.5530150314542241
Energy: 1.672936912622196
Energy: 1.8049630768621696
Energy: 1.672936912622196

minimum gb energy = 1.5526729225374691 eV
minimum distance =  2.24698027922881 Angstroms
sigma value = 7


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

Energy: 1.5805040997525652
Energy: 1.5816055693073612
Energy: 2.2033133438628574
Energy: 1.5816055693082098
Energy: 2.0324867118642
Energy: 1.7298421129009398
Energy: 1.6105164152415157
Energy: 1.7298421129034858
Energy: 1.634063965852422
Energy: 1.8233391802532186
Energy: 1.5899629367893207
Energy: 1.8233391802540673
Energy: 1.5884806640599047
Energy: 1.6877305650706982
Energy: 1.6104960381362254
Energy: 1.6877305650698495
Energy: 1.6290451379681454
Energy: 1.685202835265209
Energy: 1.575579800032944
Energy: 1.6852028352660577
Energy: 1.6284308549530029
Energy: 1.5805097807818485
Energy: 2.0402705888289265
Energy: 1.5805097807835462
Energy: 1.7534857859873385
Energy: 1.8310546877500806
Energy: 1.5906158191249424
Energy: 1.8310546877475347
Energy: 1.6289163170062668
Energy: 1.5810117779278645
Energy: 2.128658055065533
Energy: 1.581011777927016
Energy: 1.7784004087618261
Energy: 1.6709228423289983
Energy: 1.6368699896171188
Energy: 1.67092284232815
Energy: 1.6085271585138992
Energy: 1.6880513409285456
Energy: 1.7504436724015313
Energy: 1.688051340927697
Energy: 1.5865142545052935
Energy: 1.8230667359107353
Energy: 1.5751076496264458
Energy: 1.8230667359132813
Energy: 1.5819998655566945
Energy: 1.6845990243530524
Energy: 1.5754977510580894
Energy: 1.6845990243513553
Energy: 1.5813422608989662
Energy: 1.582900230210222
Energy: 1.5762086771660695
Energy: 1.582900230210222
Energy: 1.5901965735981476
Energy: 1.574840668683926
Energy: 1.6379931659048201
Energy: 1.5748406686907153
Energy: 1.6093924356740152
Energy: 1.8831226907806193
Energy: 1.8062971885287575
Energy: 1.8831226907806193
Energy: 2.2053438690400973
Energy: 1.572627463159466
Energy: 1.6532520711117462
Energy: 1.572627463157769
Energy: 1.608573842911873
Energy: 1.6855067286737535
Energy: 1.7818573714865291
Energy: 1.6855067286720562
Energy: 1.598693875540359
Energy: 1.863538213459898
Energy: 1.6379122890281987
Energy: 1.8635382134615952
Energy: 1.6084482700181029
Energy: 1.823264230009743
Energy: 1.6398923836029369
Energy: 1.8232642300046513
Energy: 1.6095711768672172
Energy: 1.6867851495406998
Energy: 1.5737951658749212
Energy: 1.6867851495398514
Energy: 1.5869507884639578
Energy: 1.8206107925356423
Energy: 1.6379567060831473
Energy: 1.8206107925373012
Energy: 1.6281201419774136
Energy: 1.8195773791817298
Energy: 1.7408129079407195
Energy: 1.8195773791817298
Energy: 2.0444190027035707
Energy: 1.6745856655160616
Energy: 1.592840891574729
Energy: 1.674585665517759
Energy: 1.586848888619991
Energy: 1.581116200311729
Energy: 2.0704359714025005
Energy: 1.5811162003125776
Energy: 1.6105207487244384
Energy: 1.6875726143637788
Energy: 1.5947840268162823
Energy: 1.6875726143654761
Energy: 1.5862998027731556
Energy: 1.8195279960907293
Energy: 1.5747858629960148
Energy: 1.819527996091578
Energy: 1.629763135488664
Energy: 1.6890342160002567
Energy: 1.596389469338318
Energy: 1.6890342160002567
Energy: 1.664466103103732
Energy: 1.684601257262108
Energy: 1.6103754560773427
Energy: 1.6846012572638056
Energy: 1.6419470120824777
Energy: 1.5818811692563854
Energy: 1.7840522139394535
Energy: 1.5818811692563854
Energy: 1.5850978133772782
Energy: 1.633718128521911
Energy: 1.608841066350363
Energy: 1.6337181285176676
Energy: 1.6419504979757102
Energy: 1.5815970314777739
Energy: 2.016630179883788
Energy: 1.581597031476925

minimum gb energy = 1.572627463157769 eV
minimum distance =  2.23267940551671 Angstroms
sigma value = 29


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

Energy: 1.4820285687761001
Energy: 1.4745940817821623
Energy: 1.9012297940228409
Energy: 1.474594081782425
Energy: 1.4243793565383593
Energy: 1.4829485943171672
Energy: 1.4798530946156072
Energy: 1.4829485943174627
Energy: 1.424765109277474
Energy: 1.5505813243368578
Energy: 1.7328929912591922
Energy: 1.5505813243365623
Energy: 1.4797527856566621
Energy: 1.4248185589326519
Energy: 1.480042968048353
Energy: 1.424818558932356
Energy: 1.4824319931343029
Energy: 1.5228933443110138
Energy: 1.5740826007337438
Energy: 1.522893344310718
Energy: 1.4752408231125609
Energy: 1.5515231694044263
Energy: 1.4752697052895423
Energy: 1.5515231694044263
Energy: 1.5996540173409497
Energy: 1.5230334980798885
Energy: 1.4824198492947127
Energy: 1.5230334980798885
Energy: 1.480091709132933
Energy: 1.424684367148292
Energy: 1.4797493237740478
Energy: 1.4246843671479965
Energy: 1.7328583123015053
Energy: 1.5505702454018462
Energy: 1.6551296379108087
Energy: 1.5505702454027

minimum gb energy = 1.4243793565383593 eV
minimum distance =  2.29299265431344 Angstroms
sigma value = 5


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

Energy: 1.4894982790080227
Energy: 1.4945245502492992
Energy: 1.869502252842343
Energy: 1.4945245502492992
Energy: 1.728888121462825
Energy: 1.5809798315950416
Energy: 1.5070694006409804
Energy: 1.5809798315966448
Energy: 1.4617499311524356
Energy: 1.488162657988258
Energy: 1.7643459897021208
Energy: 1.488162657988258
Energy: 1.5100377638445048
Energy: 1.57040713865786
Energy: 1.4670883301371656
Energy: 1.57040713865786
Energy: 1.4869402669847336
Energy: 1.5763302061603632
Energy: 1.7225792517529532
Energy: 1.5763302061595617
Energy: 1.5870211149207691
Energy: 1.496289904349443
Energy: 1.460815704741858
Energy: 1.4962899043486413
Energy: 1.4631944703166784
Energy: 1.5739858142272674
Energy: 1.4509037546306252
Energy: 1.573985814228069
Energy: 1.4572211974630747
Energy: 1.496944703404297
Energy: 1.4694490977057804
Energy: 1.496944703404297
Energy: 1.462571813464258
Energy: 1.5748595569457602
Energy: 1.4763010829275285
Energy: 1.5748595569457602
Energy: 1.4623702828997376
Energy: 1.5750148438725338
Energy: 1.509928802093509
Energy: 1.5750148438733353
Energy: 1.561790664354099
Energy: 1.5712116801517109
Energy: 1.4643583604657262
Energy: 1.5712116801501077
Energy: 1.511822967963734
Energy: 1.4797114165047898
Energy: 1.4944375296736316
Energy: 1.4797114165031864
Energy: 1.6594694068402374
Energy: 1.4960850377553239
Energy: 1.5019791960296753
Energy: 1.4960850377553239
Energy: 1.4844528404073922
Energy: 1.4952254016920998
Energy: 1.4806437040230138
Energy: 1.4952254016920998
Energy: 1.8304707826882811
Energy: 1.5692825367304069
Energy: 1.4644531104756113
Energy: 1.5692825367296053
Energy: 1.465010797143017
Energy: 1.4882108058565149
Energy: 1.8425663792238116
Energy: 1.4882108058573167
Energy: 1.7133214086737032
Energy: 1.4816006803055908
Energy: 1.488037521706318
Energy: 1.4816006803055908
Energy: 1.4699480681590635
Energy: 1.494893206231918
Energy: 1.990453639094559
Energy: 1.4948932062311164
Energy: 1.54683223898299
Energy: 1.5768580477804173
Energy: 1.4575938113893623
Energy: 1.5768580477804173
Energy: 1.4822304023813297
Energy: 1.591280674748312
Energy: 1.4731836501161273
Energy: 1.5912806747467085
Energy: 1.4788147444166488
Energy: 1.5683154100703856
Energy: 1.4626382377154155
Energy: 1.568315410069584
Energy: 1.5157450448888574
Energy: 1.574731816743606
Energy: 1.4634945704718207
Energy: 1.5747318167428044
Energy: 1.5014433235565976
Energy: 1.4962749110605176
Energy: 1.51474425645647
Energy: 1.4962749110605176
Energy: 1.4938800168543762
Energy: 1.505695289246005
Energy: 1.5074607325193832
Energy: 1.5056952892468067
Energy: 1.4935187701267099
Energy: 1.4888652294541829
Energy: 1.4680166108858301
Energy: 1.4888652294549842
Energy: 1.5211788895972471
Energy: 1.4954604304275483
Energy: 1.489803917402751
Energy: 1.4954604304275483
Energy: 1.4670395671673229
Energy: 1.4537220488639921
Energy: 1.5569362589822793
Energy: 1.4537220488639921
Energy: 1.8672013971162675
Energy: 1.5818570745221292
Energy: 1.464711542302579
Energy: 1.5818570745237326
Energy: 1.4765692349271662
Energy: 1.4694512949616703
Energy: 1.770119068900148
Energy: 1.4694512949616703
Energy: 1.9988802477167422
Energy: 1.6396805416037408
Energy: 1.4697488503052762
Energy: 1.6396805416045424
Energy: 1.459002002006599
Energy: 1.4735511127796859
Energy: 1.7416186599094305
Energy: 1.4735511127796859
Energy: 1.7133226147926812
Energy: 1.574501452661061
Energy: 1.4772326439759549
Energy: 1.574501452661061
Energy: 1.4679150186229888
Energy: 1.8054127173893364
Energy: 1.5106368431328374
Energy: 1.8054127173893364

minimum gb energy = 1.4509037546306252 eV
minimum distance =  2.22086564840578 Angstroms
sigma value = 1


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

Energy: 1.4416731655347905
Energy: 1.441627973163292
Energy: 2.0244735268012333
Energy: 1.441627973163292
Energy: 1.8972414554951402
Energy: 1.4723298380457577
Energy: 1.4290444112437173
Energy: 1.4723298380468661
Energy: 1.4030719753699346
Energy: 1.4416681352459015
Energy: 1.7119696851458528
Energy: 1.4416681352459015
Energy: 1.519516995894607
Energy: 1.5442592171618093
Energy: 1.4085457791086948
Energy: 1.5442592171629175
Energy: 1.4288412585644588
Energy: 1.4413388006901542
Energy: 1.7557632981644171
Energy: 1.4413388006912626
Energy: 1.4038411375460436
Energy: 1.4443878176536762
Energy: 1.4090167464297416
Energy: 1.4443878176536762
Energy: 1.4041786442276931
Energy: 1.5787247619788407
Energy: 1.4163668070803799
Energy: 1.5787247619766238
Energy: 1.4044009868873335
Energy: 1.444705607755529
Energy: 1.4714077544550224
Energy: 1.4447056077621794
Energy: 1.4410687777401652
Energy: 1.4435541994629844
Energy: 1.4718557425303849
Energy: 1.4435541994596592
Energy: 1.4412322394835266
Energy: 1.443701132112957
Energy: 1.4559578732504856
Energy: 1.443701132112957
Energy: 1.397335203903338
Energy: 1.4447703069176334
Energy: 1.4718255426940636
Energy: 1.4447703069165247
Energy: 1.4042009424012885
Energy: 1.5787450564549694
Energy: 1.4146804986318293
Energy: 1.5787450564549694
Energy: 1.4042229731699003
Energy: 1.445062916064051
Energy: 1.408367091584591
Energy: 1.4450629160629422
Energy: 1.4288686069686543
Energy: 1.4414296520730623
Energy: 1.6225663558322039
Energy: 1.4414296520730623
Energy: 1.5197043838369444
Energy: 1.5443353100953403
Energy: 1.4088069392478322
Energy: 1.5443353100953403
Energy: 1.4032787529490842
Energy: 1.4411964475717214
Energy: 1.5896352873934394
Energy: 1.4411964475717214
Energy: 1.8970865425916354
Energy: 1.4720419503554862
Energy: 1.4291918344616579
Energy: 1.472041950354378
Energy: 1.4416731655347905
Energy: 1.441627973163292
Energy: 1.8429505819986318
Energy: 1.441627973163292
Energy: 1.897241455494032
Energy: 1.4723298380457577
Energy: 1.4290444112437173
Energy: 1.4723298380457577
Energy: 1.4030719753699346
Energy: 1.441668135244793
Energy: 2.0110213431455595
Energy: 1.4416681352459015
Energy: 1.519516995894607
Energy: 1.5442592171629175
Energy: 1.4085457791086948
Energy: 1.5442592171629175
Energy: 1.4288412585644588
Energy: 1.4413388006901542
Energy: 1.7335863704001835
Energy: 1.4413388006912626
Energy: 1.4038411375460436
Energy: 1.4443878176536762
Energy: 1.4090167464297416
Energy: 1.4443878176525675
Energy: 1.4041786442265847
Energy: 1.5787247619777325
Energy: 1.4163668070914641
Energy: 1.5787247619777325

minimum gb energy = 1.397335203903338 eV
minimum distance =  2.24021018907352 Angstroms
sigma value = 17


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

Energy: 1.4339689735721257
Energy: 1.4343778440374133
Energy: 1.8322857202049139
Energy: 1.434377844036728
Energy: 1.6336517432666326
Energy: 1.4230804678381839
Energy: 1.4073458922466846
Energy: 1.4230804678374984
Energy: 1.4040466052982834
Energy: 1.4193491655308197
Energy: 1.7572957601939145
Energy: 1.4193491655301347
Energy: 1.6100286234109948
Energy: 1.6964354090224627
Energy: 1.4017017465167136
Energy: 1.6964354090217777
Energy: 1.4052115182059335
Energy: 1.4351478026620548
Energy: 1.805914929277101
Energy: 1.4351478026627396
Energy: 1.4445005703116756
Energy: 1.9105660149928039
Energy: 1.416959301823859
Energy: 1.910566014993489
Energy: 1.434434885182832
Energy: 1.5045999450868976
Energy: 1.419329130088156
Energy: 1.5045999450868976
Energy: 1.4296658766796588
Energy: 1.715437290966854
Energy: 1.401431784510386
Energy: 1.7154372909675388
Energy: 1.434530968299807
Energy: 1.7151124764600099
Energy: 1.475615745934075
Energy: 1.7151124764606949
Energy: 1.4193794679465157
Energy: 1.7144145139310485
Energy: 1.415963904854473
Energy: 1.7144145139310485
Energy: 1.3960043101371817
Energy: 1.6918982476507698
Energy: 1.411281546348723
Energy: 1.6918982476514548
Energy: 1.394724351657349
Energy: 1.4997881109903102
Energy: 1.394029374251129
Energy: 1.4997881109896254
Energy: 1.4381482554516078
Energy: 1.7067693121403025
Energy: 1.4056909072850212
Energy: 1.706769312143043
Energy: 1.4351219078375186
Energy: 1.5238428306952259
Energy: 1.4329261264957625
Energy: 1.5238428306952259
Energy: 1.4270640724926567
Energy: 1.6997698850220093
Energy: 1.4465777325918234
Energy: 1.6997698850220093
Energy: 1.4106047475889496
Energy: 1.4207047864541518
Energy: 1.7774821447918656
Energy: 1.4207047864541518
Energy: 1.4738544529825814
Energy: 1.7003400508071043
Energy: 1.4056643627425291
Energy: 1.7003400508091593
Energy: 1.395578331088111
Energy: 1.5653112199680628
Energy: 1.7039890544488059
Energy: 1.5653112199680628
Energy: 1.6313675511631736
Energy: 1.694562824774435
Energy: 1.406634949008306
Energy: 1.694562824774435
Energy: 1.4108954612232036
Energy: 1.419739192848113
Energy: 1.5742733135249158
Energy: 1.4197391928474274
Energy: 1.5067801864550932
Energy: 1.413158187916536
Energy: 1.4316208523061895
Energy: 1.4131581879172208
Energy: 1.432148215085622
Energy: 1.5668518419608457
Energy: 1.5094791541144688
Energy: 1.5668518419608457
Energy: 1.6342644270541573
Energy: 1.707849253390344
Energy: 1.4134114757203775
Energy: 1.707849253390344
Energy: 1.4074154809533312
Energy: 1.412923165967186
Energy: 1.6322926961859983
Energy: 1.412923165969241
Energy: 1.4994201953808592
Energy: 1.5652086422030165
Energy: 1.3980639087897364
Energy: 1.5652086422023315
Energy: 1.4088105761322556
Energy: 1.525704943559761
Energy: 1.471823790433565
Energy: 1.5257049435590757
Energy: 1.6203878750697356
Energy: 1.4892803949116296
Energy: 1.4136417902873213
Energy: 1.4892803949123146
Energy: 1.4449273843871708
Energy: 1.7005559677253603
Energy: 1.4269191877155991
Energy: 1.700555967723305
Energy: 1.4330452223197347
Energy: 1.5231643620110282
Energy: 1.4295033352866349
Energy: 1.5231643620110282
Energy: 1.4089799386861468
Energy: 1.7044796719143294
Energy: 1.4932583231843661
Energy: 1.7044796719129591
Energy: 1.39391343792376
Energy: 1.5228824834513734
Energy: 1.3949236074900007
Energy: 1.5228824834513734
Energy: 1.4087352213347977
Energy: 1.6950992753479293
Energy: 1.4050798697502247
Energy: 1.6950992753486143
Energy: 1.4137556884643705
Energy: 1.4958754288990996
Energy: 1.6434496052159726
Energy: 1.4958754289011549
Energy: 1.4852476853261092
Energy: 1.7198203088595834
Energy: 1.4200234255034254
Energy: 1.7198203088602682
Energy: 1.3994869273972854
Energy: 1.4356836050162058
Energy: 1.4701558508741752
Energy: 1.4356836050175763
Energy: 1.4190390856907606
Energy: 1.506955001966646
Energy: 1.4324432070020665
Energy: 1.506955001966646
Energy: 1.4131942168335505
Energy: 1.9090904706948888
Energy: 1.4284387703450665
Energy: 1.9090904706948888
Energy: 1.8069138529719866
Energy: 1.5268464197508245
Energy: 1.4109244981448112
Energy: 1.5268464197501392

minimum gb energy = 1.39391343792376 eV
minimum distance =  2.23277991902264 Angstroms
sigma value = 89


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

Energy: 1.2778413187626747
Energy: 1.2779924427853984
Energy: 1.8045997478257925
Energy: 1.2779924427853984
Energy: 1.278140838696039
Energy: 1.3159060236565183
Energy: 1.3004348751145811
Energy: 1.3159060236565183
Energy: 1.2971831979172526
Energy: 1.376293334232046
Energy: 2.2065628835349456
Energy: 1.3762933342338386
Energy: 1.3217241255845036
Energy: 1.3162466759428941
Energy: 1.3008706016684075
Energy: 1.3162466759428941
Energy: 1.2966490760495573
Energy: 1.4101476315316606
Energy: 1.7775744884584408
Energy: 1.4101476315298678
Energy: 1.296815133292137
Energy: 1.2787719361765146
Energy: 1.277476056059621
Energy: 1.2787719361765146
Energy: 1.2974146900022707
Energy: 1.509458644254179
Energy: 1.2780506761300583
Energy: 1.509458644254179
Energy: 1.3187055018595393
Energy: 1.5092633080465734
Energy: 1.2998053987080103
Energy: 1.5092633080465734
Energy: 1.2969587702420409
Energy: 1.4098433177286265
Energy: 1.3303399880563722
Energy: 1.4098433177286265
Energy: 1.3153863612500336
Energy: 1.2789530793869346
Energy: 1.2966566313365937
Energy: 1.2789530793905195
Energy: 1.2776300246716226
Energy: 1.3168124962758936
Energy: 1.296659398396248
Energy: 1.3168124962758936
Energy: 1.2777350223619535
Energy: 1.5104011170287575
Energy: 1.3006837487457747
Energy: 1.5104011170305502
Energy: 1.2967187548315056
Energy: 1.2800944336208062
Energy: 1.322526297599555
Energy: 1.2800944336208062
Energy: 1.2969256666516489
Energy: 1.4089753775635119
Energy: 1.2970053104774086
Energy: 1.4089753775635119
Energy: 1.3342685435904733
Energy: 1.2800616944466627
Energy: 1.2965861520390427
Energy: 1.2800616944466627

minimum gb energy = 1.277476056059621 eV
minimum distance =  2.25570589882347 Angstroms
sigma value = 13


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

Energy: 1.2847086947089779
Energy: 1.251575689599326
Energy: 1.7208414724683516
Energy: 1.2515756896030827
Energy: 1.4889845485365438
Energy: 1.6457039226675279
Energy: 1.2444450738763713
Energy: 1.6457039226622685
Energy: 1.2529009214526885
Energy: 1.4365247368881084
Energy: 1.4998732342484313
Energy: 1.4365247369038865
Energy: 1.2456474585819217
Energy: 1.4677899385857909
Energy: 1.242078345564992
Energy: 1.4677899385835371
Energy: 1.2594943425391814
Energy: 1.5285455720601853
Energy: 1.3285255264425921
Energy: 1.5285455720609367
Energy: 1.2436275166951634
Energy: 1.284950154923976
Energy: 1.258688691946764
Energy: 1.2849501549232243
Energy: 1.2599094143493528
Energy: 1.4505108951325179
Energy: 1.6174907789395163
Energy: 1.4505108951347718
Energy: 1.2475898897029778
Energy: 1.4670878388116069
Energy: 1.2588187219639397
Energy: 1.4670878388086015
Energy: 1.2597894277407171
Energy: 1.3485926470142735
Energy: 1.5712063207570017
Energy: 1.3485926470180303
Energy: 1.480073363395763
Energy: 1.5487528933643882
Energy: 1.2424305450718802
Energy: 1.5487528933651395
Energy: 1.2604360704907305
Energy: 1.3709721359334615
Energy: 1.239473802605802
Energy: 1.3709721359297047
Energy: 1.6120080431796695
Energy: 1.548916182605446
Energy: 1.2508909856710313
Energy: 1.548916182600938
Energy: 1.2939365834333123
Energy: 1.2664680925161875
Energy: 1.2572376770055862
Energy: 1.26646809251769
Energy: 1.6249881439824416
Energy: 1.3710080072761746
Energy: 1.2506910998345018
Energy: 1.3710080072709154
Energy: 1.2608183485719615
Energy: 1.2494948328540236
Energy: 1.2929479507501718
Energy: 1.2494948328540236
Energy: 1.2412507634389265
Energy: 1.3706141051472434
Energy: 1.2394496026441852
Energy: 1.370614105144238
Energy: 1.2568429801096563
Energy: 1.3364854672098512
Energy: 1.2395179050636413
Energy: 1.3364854672128565
Energy: 1.2808869341245197
Energy: 1.3452212402333743
Energy: 1.2542350029621938
Energy: 1.3452212402333743
Energy: 1.2571817735639916
Energy: 1.2678790009800494
Energy: 1.254410038226675
Energy: 1.2678790009800494
Energy: 1.2567971315601056
Energy: 1.2679443412526323
Energy: 1.254351038112642
Energy: 1.2679443412413625
Energy: 1.2805187866950813
Energy: 1.34536337994989
Energy: 1.2543137348516535
Energy: 1.3453633799513924
Energy: 1.2567187779360556
Energy: 1.3364823987146746
Energy: 1.2393767520465504
Energy: 1.3364823987124204
Energy: 1.241072672226106
Energy: 1.370719430819393
Energy: 1.2392922718430952
Energy: 1.370719430817139
Energy: 1.2603812085598567
Energy: 1.249356681915732
Energy: 1.2447719968444595
Energy: 1.249356681913478
Energy: 1.6252642014442142
Energy: 1.5993246889466344
Energy: 1.2513740014457213
Energy: 1.5993246889496398
Energy: 1.294089373382902
Energy: 1.2665626769218943
Energy: 1.2453080161592849
Energy: 1.2665626769218943
Energy: 1.6120726208758376
Energy: 1.5488550525935882
Energy: 1.2509651943768805
Energy: 1.5488550525943399
Energy: 1.2604769262771005
Energy: 1.3711354647669134
Energy: 1.2400624144436643
Energy: 1.3711354647684162
Energy: 1.4801012575133636
Energy: 1.5489198873462078
Energy: 1.2421045296651476
Energy: 1.5489198873424515
Energy: 1.2605925464385201
Energy: 1.3487260149376432
Energy: 1.4342570447166592
Energy: 1.3487260149361406
Energy: 1.2481095582610051
Energy: 1.4660838605821775
Energy: 1.2587901611374062
Energy: 1.466083860579172
Energy: 1.2594565455872067
Energy: 1.4507172787762408
Energy: 1.667664650672286
Energy: 1.4507172787762408
Energy: 1.243612385717177
Energy: 1.2782378514888497
Energy: 1.258776075802103
Energy: 1.2782378514843418
Energy: 1.2599080145361459
Energy: 1.5284900797197698
Energy: 1.6368795734104473
Energy: 1.5284900797182672
Energy: 1.2458696176057702
Energy: 1.4674780959113702
Energy: 1.24236983368384
Energy: 1.4674780959076137

minimum gb energy = 1.2392922718430952 eV
minimum distance =  2.23392809107533 Angstroms
sigma value = 37


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

Energy: 1.1862097621312129
Energy: 1.185561843990826
Energy: 1.4099147657881372
Energy: 1.185561843990826
Energy: 1.2800931908781117
Energy: 1.593070170370811
Energy: 1.1451455069720755
Energy: 1.593070170370811
Energy: 1.1543063122291826
Energy: 1.629437664998131
Energy: 2.0274173727384563
Energy: 1.629437664998131
Energy: 1.1333917849725663
Energy: 1.4915618310471186
Energy: 1.145131852951769
Energy: 1.4915618310484113
Energy: 1.1428025026409074
Energy: 1.1847861558562187
Energy: 1.1343315979741682
Energy: 1.1847861558562187
Energy: 1.1593265612375383
Energy: 1.592836656004385
Energy: 1.136447769576819
Energy: 1.592836656004385
Energy: 1.1751525436994885
Energy: 1.9930927860513135
Energy: 1.4676095064212409
Energy: 1.9930927860513135
Energy: 1.1427937159662616
Energy: 1.1858304694648407
Energy: 1.1892958084462126
Energy: 1.1858304694648407
Energy: 1.1430138098237508
Energy: 1.5925959505576857
Energy: 1.466404786695316
Energy: 1.5925959505576857
Energy: 1.5674765395494994
Energy: 1.631053100965811
Energy: 1.1353676711548173
Energy: 1.631053100965811
Energy: 1.1750776166371897
Energy: 1.9852428532417563
Energy: 1.1331024037077673
Energy: 1.9852428532417563
Energy: 1.529561071543498
Energy: 1.1853485066822766
Energy: 1.1450459389829593
Energy: 1.1853485066822766
Energy: 1.1324680282302018
Energy: 1.592640686928102
Energy: 1.160934273972856
Energy: 1.592640686928102
Energy: 1.467405394251715
Energy: 1.9336214331466095
Energy: 1.142674078503967
Energy: 1.9336214331466095
Energy: 1.185019601693081
Energy: 1.2420791514978196
Energy: 1.1427444458703937
Energy: 1.2420791514978196
Energy: 1.1853479135105622
Energy: 1.5930623190195297
Energy: 1.1451889438171436
Energy: 1.5930623190195297
Energy: 1.1324906752050796
Energy: 1.3303467248169054
Energy: 1.1594203869420432
Energy: 1.3303467248169054
Energy: 1.1326732578169603
Energy: 1.9867063919351424
Energy: 1.1426931390683746
Energy: 1.9867063919351424
Energy: 1.1426261046179895
Energy: 1.1866219020484385
Energy: 1.14285654313009
Energy: 1.1866219020484385
Energy: 1.1428833595548433
Energy: 1.593370383556985
Energy: 1.1325414764383164
Energy: 1.593370383556985

minimum gb energy = 1.1324680282302018 eV
minimum distance =  2.23105602375448 Angstroms
sigma value = 25


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

Energy: 1.1032939008312759
Energy: 1.0474840558783722
Energy: 1.203444731476112
Energy: 1.0474840558763534
Energy: 1.3778673322763304
Energy: 1.298826631132365
Energy: 1.047864891001328
Energy: 1.298826631132365
Energy: 1.0415968398329445
Energy: 1.0416160854974807
Energy: 1.8498887504070614
Energy: 1.0416160854974807
Energy: 1.124288490986876
Energy: 1.5370150801807798
Energy: 1.0477989076954233
Energy: 1.5370150801807798
Energy: 1.0500024082648038
Energy: 1.2990875255226857
Energy: 1.021462847686198
Energy: 1.2990875255216763
Energy: 1.0183129240600124
Energy: 1.2988674919387246
Energy: 1.0475124378851444
Energy: 1.2988674919387246
Energy: 1.0508158098350058
Energy: 1.0438868866346942
Energy: 1.1262760579991817
Energy: 1.0438868866346942
Energy: 1.0218443143769678
Energy: 1.3304902226204411
Energy: 1.0438828569694378
Energy: 1.3304902226214503
Energy: 1.0470954378130197
Energy: 1.3015638666167606
Energy: 1.5007972678356185
Energy: 1.3015638257127533
Energy: 1.0240627475632613
Energy: 1.2804307307708434
Energy: 1.1052992527007108
Energy: 1.2804307307708434
Energy: 1.0505315980879528
Energy: 1.0443998151393163
Energy: 1.5349519378923577
Energy: 1.0443998151413347
Energy: 1.3596824989722047
Energy: 1.5998654998994288
Energy: 1.0438994639350117
Energy: 1.5998654999004382
Energy: 1.0503737647238705
Energy: 1.06859761366707
Energy: 1.279962916109005
Energy: 1.068597614016131
Energy: 1.3402966599216881
Energy: 1.3913307688858665
Energy: 1.047825614717305
Energy: 1.3913307688878853
Energy: 1.0506158174572482
Energy: 1.0444609027433838
Energy: 1.0179351241582983
Energy: 1.044460902744393
Energy: 1.3167217471352097
Energy: 1.7074828243913904
Energy: 1.048861642732816
Energy: 1.7074828243913904
Energy: 1.0468346275522353
Energy: 1.3312301477149386
Energy: 1.0221360344157153
Energy: 1.3312301477139292
Energy: 1.2988145869451957
Energy: 1.3007142955955209
Energy: 1.0479153286403133
Energy: 1.300714295600568
Energy: 1.1024358004436496
Energy: 1.0420620167950128
Energy: 1.0240229673957306
Energy: 1.0420620167950128
Energy: 1.5223783238382378
Energy: 1.706948358968248
Energy: 1.0489403319764723
Energy: 1.706948358968248
Energy: 1.046767380821837
Energy: 1.7058677799282969
Energy: 1.039418279024289
Energy: 1.7058677799282969
Energy: 1.0415808901676085
Energy: 1.0689311829903583
Energy: 1.0476595128202177
Energy: 1.0689311829913677
Energy: 1.0505149144215842
Energy: 1.4255403939732518
Energy: 1.3403158335880272
Energy: 1.4255403939732518
Energy: 1.017892776973242
Energy: 1.7101986678395262
Energy: 1.048778897500902
Energy: 1.7101986678405356
Energy: 1.0480919306956533
Energy: 1.7060236760545098
Energy: 1.3163079789205758
Energy: 1.7060236760545098
Energy: 1.0227023050835418
Energy: 1.331805746145476
Energy: 1.0413133837677988
Energy: 1.331805746145476

minimum gb energy = 1.017892776973242 eV
minimum distance =  2.24454426394441 Angstroms
sigma value = 41


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

Energy: 1.4725647163784716
Energy: 1.2786913460370133
Energy: 0.9519154485550765
Energy: 1.278691346039496
Energy: 1.5166539420536642
Energy: 1.1447906307890687
Energy: 0.9446048369779378
Energy: 1.1447906307882412
Energy: 1.076683452996486
Energy: 0.9536901621223604
Energy: 1.2009534651467768
Energy: 0.9536901621223604
Energy: 1.312271355593443
Energy: 1.2551281034374002
Energy: 0.9466941171089912
Energy: 1.2551281034374002
Energy: 1.0411404601756453
Energy: 1.369823199961611
Energy: 1.1169749741620232
Energy: 1.369823199961611
Energy: 1.112512178782147
Energy: 1.1421362054128745
Energy: 0.9547642284833223
Energy: 1.1421362054137019
Energy: 0.9524807321387471
Energy: 1.1451691447714225
Energy: 1.1129259640150717
Energy: 1.1451691447730774
Energy: 1.0279371869691065
Energy: 1.260283820227915
Energy: 1.0423365451301858
Energy: 1.2602838202262596
Energy: 0.9478731209395754
Energy: 1.5294985935454326
Energy: 1.4180821108342307
Energy: 1.5294985935437775
Energy: 0.9381954789836764
Energy: 1.060453873532212
Energy: 1.0781244242805736
Energy: 1.0604538735330393
Energy: 0.9432605013887904
Energy: 1.2476887765674964
Energy: 1.6613271243382126
Energy: 1.247688776566669
Energy: 0.9308541635361768
Energy: 1.3513439024212197
Energy: 1.3509416885771293
Energy: 1.3513439024195648
Energy: 0.9480368109272233
Energy: 1.523645166184647
Energy: 1.5378989598522912
Energy: 1.523645166184647
Energy: 1.2013480257184785
Energy: 1.3557926434355123
Energy: 1.0782345442712973
Energy: 1.3557926434346848
Energy: 0.9477220548345195
Energy: 1.2560379359163234
Energy: 1.4606563535271428
Energy: 1.2560379359179783
Energy: 1.1983031014612253
Energy: 1.3887908723887714
Energy: 1.0425226940430412
Energy: 1.3887908723904268
Energy: 0.9589631570795545
Energy: 1.5254571086370448
Energy: 1.3509862705241467
Energy: 1.5254571086370448
Energy: 1.2907547425802013
Energy: 1.356682998997814
Energy: 0.9549160713065517
Energy: 1.3566829989969862
Energy: 1.0463543638916657
Energy: 1.2603862421268008
Energy: 1.027631047928449
Energy: 1.2603862421251462
Energy: 1.2821271875803009
Energy: 1.3562919343204387
Energy: 0.947777823497076
Energy: 1.3562919343212663
Energy: 1.0820161871776874
Energy: 1.433523535575011
Energy: 0.9386047998485257
Energy: 1.4335235355758387
Energy: 1.6580378289860918
Energy: 1.7147660632844064
Energy: 0.944574025356664
Energy: 1.7147660632827513
Energy: 1.4778682573933766
Energy: 1.3863962771446472
Energy: 0.9308338187379602
Energy: 1.3863962771454745
Energy: 1.4832336694412849
Energy: 1.5252900943709702
Energy: 0.9478630630337818
Energy: 1.5252900943709702
Energy: 1.082044443811756
Energy: 1.3362852817806594
Energy: 0.9399155779685482
Energy: 1.3362852817798319
Energy: 1.4612600572716925
Energy: 1.4715790380946203
Energy: 0.9518048375343722
Energy: 1.4715790380954477
Energy: 1.0464439731723205
Energy: 1.5273327153101544
Energy: 1.1986218485586064
Energy: 1.5273327153126368
Energy: 1.0416454778068485
Energy: 1.524553918792462
Energy: 0.9591434024208204
Energy: 1.5245539187949442
Energy: 0.9594308613645641
Energy: 1.3365216951380514
Energy: 1.2901694620731246
Energy: 1.336521695135569
Energy: 1.0273590276702351
Energy: 1.5673022548564393
Energy: 1.051274750263528
Energy: 1.5673022548580942
Energy: 0.9434595922095083
Energy: 1.3518178089069819
Energy: 1.282185474102374
Energy: 1.3518178089053268
Energy: 0.9346625130666135
Energy: 1.432044777929494
Energy: 1.0874975724679845
Energy: 1.4320447779303214

minimum gb energy = 0.9308338187379602 eV
minimum distance =  2.23496098424336 Angstroms
sigma value = 15


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

Energy: 1.2267700221396518
Energy: 1.5083366246895946
Energy: 1.4072238622404303
Energy: 1.5083366246895946
Energy: 1.5606384061838687
Energy: 1.3634373240354845
Energy: 0.8840119408503221
Energy: 1.3634373240354845
Energy: 0.9136703429958818
Energy: 1.204709064923594
Energy: 1.6175758771885065
Energy: 1.2047090649242953
Energy: 1.374871729545067
Energy: 1.3688506288717512
Energy: 0.883886929450869
Energy: 1.3688506288703493
Energy: 0.880054325869968
Energy: 1.5154206432718285
Energy: 0.8619450390818906
Energy: 1.5154206432718285
Energy: 1.0935987501899034
Energy: 1.3648749853933204
Energy: 0.8841094718566599
Energy: 1.3648749853933204
Energy: 0.883050384513999
Energy: 1.2162647576886376
Energy: 0.9226152865215614
Energy: 1.2162647576893384
Energy: 0.9228572738802471
Energy: 1.2171333251674772
Energy: 0.883973185454227
Energy: 1.2171333251730854
Energy: 0.8863028957336421
Energy: 1.5173920992816394
Energy: 1.0930253712526032
Energy: 1.517392099280938
Energy: 0.8533331125996069
Energy: 1.366168823339649
Energy: 0.8808012487989785
Energy: 1.3661688233403497
Energy: 0.8831323876107948
Energy: 1.363658749758461
Energy: 1.5275542125921315
Energy: 1.363658749758461
Energy: 0.8563118611756196
Energy: 1.2064951654478098
Energy: 0.9143069196754685
Energy: 1.2064951655066323
Energy: 0.8865330019033454
Energy: 1.5195595983892487
Energy: 1.6371379754661615
Energy: 1.5195595983885477
Energy: 0.8566184333045043
Energy: 1.5089245127039588
Energy: 1.227701487157833
Energy: 1.5089245127039588
Energy: 0.883153392219305
Energy: 1.3633730748675206
Energy: 1.555379965967562
Energy: 1.3633730748675206
Energy: 1.085633216502016
Energy: 1.2059223168684305
Energy: 0.9144490681023312
Energy: 1.205922316867028
Energy: 0.8863502905494396
Energy: 1.519430878616025
Energy: 1.3790535215333974
Energy: 1.519430878613922
Energy: 1.0819083967564038
Energy: 1.5142680053503612
Energy: 0.8807541326503225
Energy: 1.5142680053510622
Energy: 0.8833599463720175
Energy: 1.365068856690945
Energy: 1.2038038150850563
Energy: 1.365068856690945
Energy: 1.0774968940317147
Energy: 1.0497157121949032
Energy: 0.8841516897243347
Energy: 1.0497157121942025
Energy: 0.886567979994503
Energy: 1.3924414422909217
Energy: 1.0335282127043879
Energy: 1.3924414422909217
Energy: 1.0795178432735846
Energy: 1.377867949270279
Energy: 0.8904966560516063
Energy: 1.377867949271681
Energy: 0.8832752568702698
Energy: 1.3638229707535992
Energy: 0.853384691244412
Energy: 1.3638229707528984
Energy: 1.4102193492595096
Energy: 1.0442397546234832
Energy: 0.8839249269470582
Energy: 1.0442397546213802
Energy: 0.9168635253402811
Energy: 1.392431617617567
Energy: 0.857521733695709
Energy: 1.3924316176196703
Energy: 1.3944732687256831
Energy: 1.52265942773134
Energy: 0.8902734983182027
Energy: 1.52265942773134
Energy: 1.2300647343298752
Energy: 1.506114331198065
Energy: 0.8572492505622097
Energy: 1.5061143311987657
Energy: 1.5509494415956648
Energy: 1.363487893078388
Energy: 0.8840989118500344
Energy: 1.363487893077687
Energy: 0.9166915920009908
Energy: 1.5471721620546837
Energy: 0.8607614013051895
Energy: 1.5471721620539824
Energy: 1.20368887077952
Energy: 1.5229994394955866
Energy: 0.8902709336027169
Energy: 1.5229994394948856
Energy: 0.8831991149773173
Energy: 1.508712219354244
Energy: 1.081915347392915
Energy: 1.508712219353543
Energy: 1.193046027810483
Energy: 1.367124742720679
Energy: 0.8840618069309912
Energy: 1.367124742720679
Energy: 0.8863415191404335
Energy: 1.5395858424189461
Energy: 1.0769497670002686
Energy: 1.5395858424196474
Energy: 0.8603230089149262
Energy: 1.3928748758595901
Energy: 0.8901534979564936
Energy: 1.3928748758609921
Energy: 0.8657614125207223
Energy: 1.5081034144766907
Energy: 1.0792507311774053
Energy: 1.508103414477392
Energy: 0.8531768014745809
Energy: 1.0450692656779166
Energy: 0.8872108852525996
Energy: 1.0450692656659992
Energy: 0.8866653958736439
Energy: 1.5392801299255336
Energy: 1.4099970554642396
Energy: 1.5392801299241317

minimum gb energy = 0.8531768014745809 eV
minimum distance =  2.26776381044409 Angstroms
sigma value = 85


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

Energy: 1.1564380392208449
Energy: 1.4114172450518283
Energy: 0.7920337250646098
Energy: 1.4114172450518283
Energy: 1.6639890691199815
Energy: 1.2689822380542657
Energy: 0.8112239333870895
Energy: 1.2689822380542657
Energy: 1.1091739260383764
Energy: 1.1101493552509043
Energy: 1.0684966462168077
Energy: 1.1101493552509043
Energy: 1.3835325493708157
Energy: 0.9800123986494703
Energy: 0.8108692194394653
Energy: 0.9800123986500785
Energy: 0.8502350397050477
Energy: 1.0778198767608729
Energy: 0.7754050764799003
Energy: 1.0778198767608729
Energy: 1.2299231040674097
Energy: 0.984577960186682
Energy: 0.8108363222947609
Energy: 0.9845779601854658
Energy: 0.8069491495928373
Energy: 1.1315575166048735
Energy: 0.8910699920388927
Energy: 1.1315575166048735
Energy: 1.0726056057246407
Energy: 1.2687862086602821
Energy: 0.8109368667986101
Energy: 1.2687862086602821
Energy: 0.8101049775462401
Energy: 1.0921942036004715
Energy: 1.0378770854409076
Energy: 1.0921942036004715
Energy: 0.9282070574901276
Energy: 1.1319569391113806
Energy: 0.8078534995101936
Energy: 1.1319569391113806
Energy: 0.8105827052852927
Energy: 1.274608809120166
Energy: 1.1844864011555778
Energy: 1.2746088091195578
Energy: 0.7715606481733701
Energy: 0.980300302802109
Energy: 0.8509982657268439
Energy: 0.980300302799069
Energy: 0.8104921707127658
Energy: 1.0923560786903754
Energy: 1.3980449320981638
Energy: 1.0923560786903754
Energy: 0.7743166167558919
Energy: 1.1100673800226653
Energy: 1.1100943647098636
Energy: 1.1100673800220573
Energy: 0.8106140141425777
Energy: 1.2686572105754004
Energy: 1.5203899483910577
Energy: 1.2686572105747926
Energy: 0.7737377260111722
Energy: 1.4118401373611307
Energy: 1.1570522449541065
Energy: 1.4118401373611307
Energy: 0.8102545550707629
Energy: 1.0927239693760005
Energy: 1.521279448563088
Energy: 1.0927239693766082
Energy: 0.9776787377045909
Energy: 1.1100609605340575
Energy: 1.1102367218832956
Energy: 1.1100609605340575
Energy: 0.810624410668579
Energy: 1.2687179819576349
Energy: 1.3829027916041212
Energy: 1.2687179819576349
Energy: 0.9681130835337091
Energy: 1.4364703104377343
Energy: 0.8510178982084396
Energy: 1.4364703104377343
Energy: 0.8104222820179696
Energy: 1.0939443898339143
Energy: 1.2297735374134136
Energy: 1.0939443898345222
Energy: 0.9661726254682287
Energy: 1.1360312451136838
Energy: 0.8080662926488145
Energy: 1.1360312451136838
Energy: 0.8115943577563006
Energy: 1.2685844809335076
Energy: 1.0729408126743243
Energy: 1.2685844809335076
Energy: 0.9721758153172511
Energy: 1.1315665330464073
Energy: 0.8109239880999293
Energy: 1.1315665330330313
Energy: 0.8103574110409257
Energy: 0.979953558376077
Energy: 0.9258991387064228
Energy: 0.979953558376077
Energy: 1.2624023720581043
Energy: 1.1101844653294428
Energy: 0.8118846692367443
Energy: 1.1101844653294428
Energy: 0.853470408608317
Energy: 0.9802261557365527
Energy: 0.7711940372803359
Energy: 0.9802261557444568
Energy: 1.2574643642713357
Energy: 1.4325712722573862
Energy: 0.8104603653132453
Energy: 1.4325712722573862
Energy: 1.1127170789514635
Energy: 1.1105015615107505
Energy: 0.7790464793984433
Energy: 1.1105015615107505
Energy: 1.5212841441241673
Energy: 1.2683693867822028
Energy: 0.811916351029904
Energy: 1.2683693867822028
Energy: 1.1590364684357588
Energy: 1.4129287239290924
Energy: 0.7739067784088178
Energy: 1.4129287239290924
Energy: 1.4061019528352876
Energy: 1.4324933977026935
Energy: 0.8111066504428345
Energy: 1.4324933977026935
Energy: 1.1127363850180112
Energy: 1.1104330930892485
Energy: 0.7781040328753932
Energy: 1.1104330930898565
Energy: 1.3837132045810308
Energy: 1.2684463408705682
Energy: 0.8100684799105365
Energy: 1.2684463408705682
Energy: 0.8536216522612106
Energy: 1.4371714029598648
Energy: 0.9684948194499671
Energy: 1.4371714029598648
Energy: 1.0781272007678502
Energy: 1.4256974340815478
Energy: 0.8111225159374357
Energy: 1.425697434082156
Energy: 0.810543902127507
Energy: 1.1098738935595351
Energy: 0.9658240774498992
Energy: 1.1098738935607515
Energy: 1.0642156260781634
Energy: 1.1104235536198686
Energy: 0.8118222283805708
Energy: 1.110423553658753
Energy: 0.8105520966941147
Energy: 1.399277334414877
Energy: 0.9723065527186783
Energy: 1.399277334414877
Energy: 0.7802974889819635
Energy: 1.3193297752759159
Energy: 0.8069306206628634
Energy: 1.319329775275308
Energy: 0.8099976942589836
Energy: 1.1101768342068188
Energy: 1.2624360055093882
Energy: 1.1101768342068188
Energy: 0.770911057633058
Energy: 0.979756429015483
Energy: 0.8500528299402901
Energy: 0.979756429014267
Energy: 0.8106538590314905
Energy: 1.3995509781556357
Energy: 1.256858592667278
Energy: 1.3995509781562439

minimum gb energy = 0.770911057633058 eV
minimum distance =  2.25307529767505 Angstroms
sigma value = 113


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

Energy: 0.020522328299126213
Energy: 0.021436188878005663
Energy: 2.507619219903615
Energy: 0.021436188878940467
Energy: 1.2229120032598102
Energy: 0.45538621594954404
Energy: 0.4546871140949674
Energy: 0.45538621595001155
Energy: 0.020522328299126213
Energy: 0.021436188878005663
Energy: 1.223974814213333
Energy: 0.021436188878473064
Energy: 1.2229120032598102
Energy: 0.4553862159491286
Energy: 0.45468711444126014
Energy: 0.45538621594954404
Energy: 0.020522328299126213
Energy: 0.021436188878005663
Energy: 1.2236471544327259
Energy: 0.021436188878473064
Energy: 1.2229120032598102
Energy: 0.45538621595001155
Energy: 0.45468711403103723
Energy: 0.45538621594954404

minimum gb energy = 0.020522328299126213 eV
minimum distance =  2.48492826894358 Angstroms
sigma value = 1