Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_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=3.521391749382019
cohesive_energy=4.450350014731871
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9905923153806198e-19, 2.8384161247944e-19, 3.48808272811506e-19, 4.0176822144837597e-19, 4.463071296969419e-19, 4.84454955352482e-19, 5.175094614885359e-19, 5.463566517837059e-19, 5.716566230112e-19, 5.93896436867754e-19, 6.134558092156259e-19, 6.30637551438642e-19, 6.456932052683399e-19, 6.588246449606038e-19, 6.702097121218079e-19, 6.799926026490119e-19, 6.883014906729359e-19, 6.95245324204692e-19, 7.009234381955879e-19, 7.0541754365395795e-19, 7.088061472348679e-19, 7.11153336003678e-19, 7.125231970257479e-19, 7.1296860213e-19, 7.12491153493068e-19, 7.1094985957116e-19, 7.08162072228e-19, 7.03906691088096e-19, 6.979273678900079e-19, 6.89911678190106e-19, 6.794895191859359e-19, 6.662122814199779e-19, 6.4953842918994e-19, 6.288062635459799e-19, 6.032050831112939e-19, 5.71731925312998e-19, 5.331386945532059e-19, 4.85855257730598e-19, 4.2789812017228195e-19, 3.56721423206832e-19, 2.6902948949810996e-19, 1.6049804431094998e-19, 2.5378798317886796e-20, -1.4412588194109418e-19, -3.5915512951387797e-19, -6.36894051194412e-19, -1.005383461777974e-18, -1.51311163491594e-18, -2.2496162117994e-18, -3.3929935448871597e-18, -5.3287433540859595e-18, -8.97712385443272e-18, -1.67919326479638e-17, -3.6084061933284595e-17]
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: 0.018089586653747124
Energy: 0.018560809633150963
Energy: 0.9023769633353365
Energy: 0.15938915115965602
Energy: 0.018560809633150963
Energy: 0.8661718895719831
Energy: 0.15938915116028032
Energy: 0.8661718895719831
Energy: 0.9023769633353365
Energy: 0.15938915116094132
Energy: 0.018089586653747124
Energy: 0.018560809633150963
Energy: 0.15938915115899505
Energy: 0.8661718895719831
Energy: 0.018560809633150963
Energy: 0.8661718895719831

minimum gb energy = 0.018089586653747124 eV
minimum distance =  2.4472439975608 Angstroms
sigma value = 1


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

Energy: 1.7607768283771013
Energy: 1.2340492510178271
Energy: 1.3427780498608195
Energy: 1.3416068154675882
Energy: 1.223981366575104
Energy: 1.3514568455330533
Energy: 1.2281758443567397
Energy: 1.351456845533855
Energy: 1.34599530842393
Energy: 1.3401135781392601
Energy: 1.910289517036229
Energy: 1.3401135781408633
Energy: 1.2341031310195103
Energy: 1.2269697761708018
Energy: 1.2279291627202864
Energy: 1.2269697761700002
Energy: 1.6440328757601859
Energy: 1.2286353608240486
Energy: 1.2298171523795762
Energy: 1.2286353608240486
Energy: 1.2891774748915266
Energy: 1.3492833741312902
Energy: 1.24246819218947
Energy: 1.3492833741328936
Energy: 1.2879303102754116
Energy: 1.2869416949561123
Energy: 1.6439035187693924
Energy: 1.2869416949561123
Energy: 1.2698111368693552
Energy: 1.2646170213339347
Energy: 1.326924991802922
Energy: 1.2646170213347363
Energy: 1.4323267474619716
Energy: 1.390921964909799
Energy: 1.4391348604041339
Energy: 1.390921964909799
Energy: 1.3229898413333139
Energy: 1.3572059087156014
Energy: 1.2856841254595206
Energy: 1.3572059087156014
Energy: 1.5264701171544695
Energy: 1.3910292740555774
Energy: 1.4346604284445195
Energy: 1.391029274053974
Energy: 1.2704745590751318
Energy: 1.4177914813682801
Energy: 1.330441687156109
Energy: 1.4177914813682801
Energy: 1.2836284289332345
Energy: 1.316067442971829
Energy: 1.7666570044618957
Energy: 1.3160674429710273
Energy: 1.2889358017354697
Energy: 1.3155724834349904
Energy: 1.2863842190407095
Energy: 1.3155724834165523
Energy: 1.763615489551391
Energy: 1.2280223722869195
Energy: 1.233043465531625
Energy: 1.2280223722861179
Energy: 1.279463135591727
Energy: 1.2272862587036297
Energy: 1.227873481753713
Energy: 1.2272862587036297
Energy: 1.3415273200051796
Energy: 1.3408825117604664
Energy: 2.0588925575002537
Energy: 1.3408825117588632
Energy: 1.2276062043269016
Energy: 1.2349892432758496
Energy: 1.2247462021939337
Energy: 1.2349892432766512
Energy: 1.9115570173105603
Energy: 1.3415134034008382
Energy: 1.3490366017113633
Energy: 1.3415134034008382
Energy: 1.2892083311344522
Energy: 1.2279820587122892
Energy: 1.2347325287751056
Energy: 1.2279820587122892
Energy: 1.2278331103843936
Energy: 1.2286475148215672
Energy: 1.645707607057565
Energy: 1.2286475148207656
Energy: 1.2429818134809474
Energy: 1.3523248572471152
Energy: 1.2925212156030244
Energy: 1.3523248572479167
Energy: 1.6447790908102549
Energy: 1.2866291404705024
Energy: 1.2852776185518118
Energy: 1.2866291404713042
Energy: 1.3272631726872897
Energy: 1.26362382086743
Energy: 1.2721880476937846
Energy: 1.26362382086743
Energy: 1.3353355087668826
Energy: 1.3890855264326345
Energy: 1.4325329014529185
Energy: 1.389085526433436
Energy: 1.2878538691482502
Energy: 1.372149436694378
Energy: 1.3252912461470314
Energy: 1.3721494366951799
Energy: 1.4332333101332009
Energy: 1.393329854520836
Energy: 1.2810421823273197
Energy: 1.393329854520836
Energy: 1.3281191526696312
Energy: 1.371473708180549
Energy: 1.270656131574032
Energy: 1.371473708180549
Energy: 1.249852547772734
Energy: 1.3150669049051131
Energy: 1.2830940524893413
Energy: 1.3150669049051131
Energy: 1.2867805015930263
Energy: 1.285469619658644
Energy: 1.288971695445703
Energy: 1.2854696196578423
Energy: 1.2311438367142848
Energy: 1.2281483890731133
Energy: 1.2493832641023075
Energy: 1.2281483890723117
Energy: 1.2297777030654482
Energy: 1.2270443779111642
Energy: 1.2792675692077649
Energy: 1.2270443779119657
Energy: 1.2269380759387383
Energy: 1.2334040122701175
Energy: 1.341243842946743
Energy: 1.2334040122701175

minimum gb energy = 1.223981366575104 eV
minimum distance =  2.21342900613742 Angstroms
sigma value = 1


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

Energy: 1.9872979301477025
Energy: 1.2837471281908113
Energy: 1.4037553550082236
Energy: 1.4046592813094128
Energy: 1.2787631639218908
Energy: 1.4081964838319978
Energy: 1.2783620044306094
Energy: 1.4081964838328704
Energy: 1.408809051076027
Energy: 1.4029902023366565
Energy: 1.8293433794064895
Energy: 1.4029902023375707
Energy: 1.2865816565679513
Energy: 1.279051578816993
Energy: 1.278565383561824
Energy: 1.2790515788197347
Energy: 1.8299794547735393
Energy: 1.280549937235855
Energy: 1.2790606250347227
Energy: 1.2805499372349411
Energy: 1.351425235680323
Energy: 1.4094632040460726
Energy: 1.2961401224625515
Energy: 1.4094632040469868
Energy: 1.356209353829541
Energy: 1.3554163916716107
Energy: 1.5503185898941405
Energy: 1.3554163916697828
Energy: 1.3230883841278294
Energy: 1.3631431442227195
Energy: 1.3896303030481119
Energy: 1.3631431442218054
Energy: 1.5520967105197059
Energy: 1.4565000627512956
Energy: 1.4342588935140161
Energy: 1.456500062753124
Energy: 1.3891731798687574
Energy: 1.4678382715815168
Energy: 1.3246794786653184
Energy: 1.4678382715824307
Energy: 1.6743932654082208
Energy: 1.3824325209987454
Energy: 1.3566152215166212
Energy: 1.3824325209969173
Energy: 1.3466006637980068
Energy: 1.3823370820241179
Energy: 1.350769274660671
Energy: 1.3823370820250318
Energy: 1.2846080968288733
Energy: 1.2786943040388488
Energy: 1.6716319176534074
Energy: 1.2786943040370207
Energy: 1.278237602889944
Energy: 1.2780389996875214
Energy: 1.3334938375518015
Energy: 1.2780389996902635
Energy: 1.990141737370204
Energy: 1.4029711653553216
Energy: 1.4028663260897356
Energy: 1.4029711653580639
Energy: 1.2843008994844665
Energy: 1.2878013005533848
Energy: 1.280578761951576
Energy: 1.2878013005570408
Energy: 1.4067805642143543
Energy: 1.4052875783026517
Energy: 1.8309970952190366
Energy: 1.4052875783053935
Energy: 1.2858633374418162
Energy: 1.4092287476804735
Energy: 1.350661384024571
Energy: 1.4092287476813874
Energy: 1.8311565382278256
Energy: 1.2801617379191546
Energy: 1.2803331729436789
Energy: 1.2801617379182404
Energy: 1.3514028116508485
Energy: 1.2777096627151756
Energy: 1.2960245395283891
Energy: 1.2777096627151756
Energy: 1.3230072735334488
Energy: 1.3553180693417726
Energy: 1.551229100870843
Energy: 1.3553180693390303
Energy: 1.3225708385449961
Energy: 1.3794144985675278
Energy: 1.3906406856384832
Energy: 1.37941449857027
Energy: 1.552401042537065
Energy: 1.4564559714618792
Energy: 1.453150120455768
Energy: 1.4564559714655352
Energy: 1.390224834085692
Energy: 1.4434264684382252
Energy: 1.3247453667171991
Energy: 1.4434264684373115
Energy: 1.3050282829008608
Energy: 1.3836685704206426
Energy: 1.3559187378696025
Energy: 1.3836685704215568
Energy: 1.3469063690227712
Energy: 1.3512897112009936
Energy: 1.351426036296584
Energy: 1.3512897112009936
Energy: 1.2834692399645742
Energy: 1.2787099121883232
Energy: 1.305079664284449
Energy: 1.278709912186495
Energy: 1.2791402211232856
Energy: 1.2784755091381812
Energy: 1.3337505135380519
Energy: 1.2784755091381812
Energy: 1.2732888112646763
Energy: 1.2880587170686397
Energy: 1.4020623614654202
Energy: 1.2880587170658977

minimum gb energy = 1.2732888112646763 eV
minimum distance =  2.21769784395527 Angstroms
sigma value = 25


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

Energy: 1.8842249509769267
Energy: 1.3342772799942129
Energy: 1.4729931386474728
Energy: 1.4729339076174088
Energy: 1.3391635278410725
Energy: 1.4656138012818554
Energy: 1.33144798825723
Energy: 1.4656138012818554
Energy: 1.4714055996041648
Energy: 1.4728735493437681
Energy: 1.7162394464659687
Energy: 1.4728735493437681
Energy: 1.3445439429545107
Energy: 1.3357109497324486
Energy: 1.3318967975708491
Energy: 1.3357109497324486
Energy: 1.719014091107827
Energy: 1.3360198744658156
Energy: 1.3354352347616696
Energy: 1.3360198744658156
Energy: 1.423289526171691
Energy: 1.470746086682498
Energy: 1.3526620888209036
Energy: 1.470746086682498
Energy: 1.4481078547577428
Energy: 1.478638363634033
Energy: 1.446659559642537
Energy: 1.4786383636329705
Energy: 1.3686824810958678
Energy: 1.4370514729961341
Energy: 1.4588630816106183
Energy: 1.4370514729961341
Energy: 1.4481655336719865
Energy: 1.4790270473802984
Energy: 1.557224292819975
Energy: 1.4790270473802984
Energy: 1.4234800446521982
Energy: 1.4808036631508215
Energy: 1.4132288049538066
Energy: 1.4808036631508215
Energy: 1.8910836114098784
Energy: 1.335729509405259
Energy: 1.3339016130707784
Energy: 1.3357295094063217
Energy: 1.3898879193289975
Energy: 1.337613776904747
Energy: 1.331763147200584
Energy: 1.337613776904747
Energy: 1.4699277684804612
Energy: 1.4712547897526131
Energy: 1.8876539092073399
Energy: 1.4712547897526131
Energy: 1.3346133517192025
Energy: 1.3466194375252136
Energy: 1.339426368403019
Energy: 1.3466194375252136
Energy: 1.7180723631267563
Energy: 1.4711678775796544
Energy: 1.4746070822146875
Energy: 1.4711678775796544
Energy: 1.4218397973971755
Energy: 1.4673001643581296
Energy: 1.3451701925260604
Energy: 1.4673001643581296
Energy: 1.3352814902171481
Energy: 1.3367333300150308
Energy: 1.7195704123176558
Energy: 1.3367333300150308
Energy: 1.3501303154389976
Energy: 1.3359851727789986
Energy: 1.4235823403111807
Energy: 1.3359851727789986
Energy: 1.445834473328552
Energy: 1.4791942924124122
Energy: 1.4233743325033306
Energy: 1.4791942924113495
Energy: 1.4605327069777012
Energy: 1.460203766261552
Energy: 1.3713395892560765
Energy: 1.460203766261552
Energy: 1.3609684137649505
Energy: 1.4786214147818046
Energy: 1.4463361879023027
Energy: 1.4786214147818046
Energy: 1.41100244945852
Energy: 1.4646138230719266
Energy: 1.4676737984853145
Energy: 1.4646138230719266
Energy: 1.3353553937136613
Energy: 1.33612406235577
Energy: 1.318786343857042
Energy: 1.33612406235577
Energy: 1.3329090176407647
Energy: 1.3342556774595147
Energy: 1.3901335318192798
Energy: 1.3342556774595147
Energy: 1.3175052603315687
Energy: 1.345069801043155
Energy: 1.4674538614431192
Energy: 1.345069801043155

minimum gb energy = 1.3175052603315687 eV
minimum distance =  2.21413997895087 Angstroms
sigma value = 9


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

Energy: 1.7293164556782261
Energy: 1.375207763532444
Energy: 1.5371983385387016
Energy: 1.535863947743633
Energy: 1.4110489092592537
Energy: 1.526418013964718
Energy: 1.3874541932072122
Energy: 1.5264180139634504
Energy: 1.5366619441651563
Energy: 1.5371032237200595
Energy: 2.0332627256972273
Energy: 1.5371032237213267
Energy: 1.4548245358559766
Energy: 1.3870670354972938
Energy: 1.387022711829698
Energy: 1.3870670354960266
Energy: 1.5696723836406252
Energy: 1.3874044454101184
Energy: 1.3886753790571673
Energy: 1.3874044454101184
Energy: 1.5466106987049566
Energy: 1.5668311374694028
Energy: 1.4010135201852765
Energy: 1.5668311374706703
Energy: 1.4109362775960606
Energy: 1.53156496946697
Energy: 1.573590617698639
Energy: 1.5315649694682374
Energy: 1.399355599153277
Energy: 1.533253644952527
Energy: 1.5474318112323797
Energy: 1.533253644952527
Energy: 1.386210177972719
Energy: 1.3892728084699417
Energy: 1.7351262300002435
Energy: 1.3892728084686738
Energy: 1.3878086209524167
Energy: 1.3874971535465794
Energy: 1.4453386603589753
Energy: 1.3874971535478469
Energy: 1.7339755154994119
Energy: 1.5330906598988354
Energy: 1.5338579557674605
Energy: 1.5330906598988354
Energy: 1.4109974488217698
Energy: 1.4302873617618634
Energy: 1.3874259265395397
Energy: 1.4302873617618634
Energy: 1.5375725450835296
Energy: 1.5355815143679734
Energy: 2.03408235260226
Energy: 1.535581514369241
Energy: 1.454675972733257
Energy: 1.5269014216872157
Energy: 1.5427212386849765
Energy: 1.5269014216872157
Energy: 1.5701820570612375
Energy: 1.3872468973228513
Energy: 1.3869131541877917
Energy: 1.3872468973228513
Energy: 1.5466530182127618
Energy: 1.3872277582804704
Energy: 1.3869920059720071
Energy: 1.3872277582867794
Energy: 1.4112952772061074
Energy: 1.5331799157554014
Energy: 1.5732725973966737
Energy: 1.5331799157554014
Energy: 1.427003304960643
Energy: 1.5322653226611325
Energy: 1.5452987941929117
Energy: 1.5322653226611325
Energy: 1.3852253875991092
Energy: 1.389376159335142
Energy: 1.3578424461056684
Energy: 1.3893761593364093
Energy: 1.388024878704479
Energy: 1.4299374809804675
Energy: 1.4440576317204266
Energy: 1.4299374809804675
Energy: 1.3523869296676314
Energy: 1.429533678812632
Energy: 1.5334257098781199
Energy: 1.4295336788113644

minimum gb energy = 1.3523869296676314 eV
minimum distance =  2.22011105860011 Angstroms
sigma value = 25


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

Energy: 1.508105864419932
Energy: 1.3848666361500999
Energy: 1.5893477275176444
Energy: 1.5884594307634763
Energy: 1.6317364714490359
Energy: 1.495677580531315
Energy: 1.5180365679562233
Energy: 1.495677580531315
Energy: 1.5883217521516855
Energy: 1.5913126554960553
Energy: 1.8417672991992216
Energy: 1.5913126554960553
Energy: 1.5013893926453294
Energy: 1.5230132654212596
Energy: 1.5175263837291622
Energy: 1.523013265419692
Energy: 1.4359883656514894
Energy: 1.4779993653165542
Energy: 1.442886720104367
Energy: 1.4779993653165542
Energy: 1.6427476858218613
Energy: 1.57337196509525
Energy: 1.4149463010030836
Energy: 1.57337196509525
Energy: 1.5122792024766385
Energy: 1.4430352768321912
Energy: 1.4397782827751155
Energy: 1.4430352768321912
Energy: 1.3641407742169576
Energy: 1.5226585655668659
Energy: 1.4141451798645637
Energy: 1.5226585655684333
Energy: 1.5864223988992867
Energy: 1.5862908431262583
Energy: 2.1862106310608835
Energy: 1.5862908431262583
Energy: 1.5187768296958846
Energy: 1.47989561183541
Energy: 1.6319753810265867
Energy: 1.47989561183541
Energy: 1.8438662500024845
Energy: 1.5891066520623511
Energy: 1.590561714262417
Energy: 1.5891066520607835
Energy: 1.6420361945515651
Energy: 1.4964653158108023
Energy: 1.5025311672223036
Energy: 1.4964653158108023
Energy: 1.4118318786585413
Energy: 1.4810430553292488
Energy: 1.4361532736433782
Energy: 1.4810430553292488
Energy: 1.4409797556175137
Energy: 1.4768136594526013
Energy: 1.6448366379787955
Energy: 1.476813659451034
Energy: 1.438297344571802
Energy: 1.5213559903252345
Energy: 1.3644903251349147
Energy: 1.5213559903252345
Energy: 1.5182598165842824
Energy: 1.478933791561147
Energy: 1.5143973563537365
Energy: 1.478933791561147
Energy: 1.632593398308341
Energy: 1.3715172098930608
Energy: 1.499530105511332
Energy: 1.371517209894628

minimum gb energy = 1.3641407742169576 eV
minimum distance =  2.29472338274155 Angstroms
sigma value = 17


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

Energy: 2.0861661374885716
Energy: 1.614243706798459
Energy: 1.744300946429318
Energy: 1.7439779470242476
Energy: 1.5494771137287098
Energy: 1.4453751345002959
Energy: 1.654525829683033
Energy: 1.4453751345002959
Energy: 1.4963549127492246
Energy: 1.4971930580344692
Energy: 1.895982415764981
Energy: 1.4971930580344692
Energy: 1.4439985058965032
Energy: 1.4458234916990578
Energy: 1.6569738995932484
Energy: 1.44582349169817
Energy: 1.5838987972464218
Energy: 1.5600096575923448
Energy: 1.4574547090212409
Energy: 1.5600096575932327
Energy: 1.6548485180329158
Energy: 1.591684640611037
Energy: 1.4448326043038349
Energy: 1.5916846406119247
Energy: 1.7075200112677056
Energy: 1.4963670766139836
Energy: 1.4947584951758623
Energy: 1.4963670766139836
Energy: 1.7493956358581215
Energy: 1.4439362517237637
Energy: 1.4790111733273892
Energy: 1.4439362517237637
Energy: 1.745857086172996
Energy: 1.7427295574002042
Energy: 1.8991468028836083
Energy: 1.7427295574002042
Energy: 1.6443526989159407
Energy: 1.5484618871986813
Energy: 1.6508934844932728
Energy: 1.5484618871986813
Energy: 1.5817851445745064
Energy: 1.422598144666674
Energy: 1.415199761283621
Energy: 1.422598144666674
Energy: 1.626815644843287
Energy: 1.4226760810710708
Energy: 1.4214365742543624
Energy: 1.4226760810719583
Energy: 1.5008597969974968
Energy: 1.4232710913779834
Energy: 1.4215196953317162
Energy: 1.4232710913779834
Energy: 1.7063080922581007
Energy: 1.444686401240998
Energy: 1.4789745884222405
Energy: 1.444686401240998
Energy: 1.698751212370181
Energy: 1.6302506081051267
Energy: 1.7479391927301984
Energy: 1.6302506081060142
Energy: 1.745873982203734
Energy: 1.5048947865501876
Energy: 1.7487010914001355
Energy: 1.5048947865404219
Energy: 1.6248781907967225
Energy: 1.443439062514282
Energy: 1.4976576611689723
Energy: 1.443439062514282
Energy: 1.6254269962839136
Energy: 1.4435985625612435
Energy: 1.4950608071989313
Energy: 1.4435985625612435
Energy: 1.6519014486707015
Energy: 1.5989864700305225
Energy: 1.5853926067795072
Energy: 1.5989864700296346
Energy: 1.4552289769531834
Energy: 1.5614279459836313
Energy: 1.444675038116479
Energy: 1.5614279459845188
Energy: 1.4436868720820557
Energy: 1.4446192338710797
Energy: 1.7492605439480053
Energy: 1.4446192338710797
Energy: 1.4968371591894185
Energy: 1.498481171933265
Energy: 1.702644250846227
Energy: 1.4984811719341529
Energy: 1.6505846753939615
Energy: 1.5482083974179186
Energy: 1.6750047185754267
Energy: 1.5482083974170309
Energy: 1.8971358029185856
Energy: 1.7422956443993587
Energy: 1.7426850088998544
Energy: 1.7422956443984712
Energy: 1.4787184341410544
Energy: 1.4237557222439843
Energy: 1.6273681151992485
Energy: 1.4237557222422086
Energy: 1.4219616251756637
Energy: 1.422424569881419
Energy: 1.5830014838960977
Energy: 1.422424569881419
Energy: 1.409729356710196
Energy: 1.4946764211818326
Energy: 1.7527570645596966
Energy: 1.4946764211818326
Energy: 1.420984317432118
Energy: 1.4225182229029798
Energy: 1.7075640521531463
Energy: 1.4225182229029798
Energy: 1.4775703632597672
Energy: 1.44503351441073
Energy: 1.5003565083709416
Energy: 1.4450335144018522
Energy: 2.08728019320778
Energy: 1.7423404559719209
Energy: 1.7408715755527957
Energy: 1.7423404559728086

minimum gb energy = 1.409729356710196 eV
minimum distance =  2.23546432195769 Angstroms
sigma value = 53


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

Energy: 1.8414554672292547
Energy: 1.3007292771052645
Energy: 1.5865012569277763
Energy: 1.5852751563728746
Energy: 1.7566548413873602
Energy: 1.3838070971255936
Energy: 1.5195283462635159
Energy: 1.3838070971255936
Energy: 1.586131214395245
Energy: 1.5865702260977415
Energy: 1.551415799432896
Energy: 1.5865702260977415
Energy: 1.5203006713456144
Energy: 1.3864303007026717
Energy: 1.522331383936005
Energy: 1.3864303007026717
Energy: 1.5606194372851256
Energy: 1.3840582423012184
Energy: 1.2692965266258838
Energy: 1.3840582423012184
Energy: 1.5179509978129442
Energy: 1.385749644897067
Energy: 1.2698995431164282
Energy: 1.3857496448950233
Energy: 1.844700833631614
Energy: 1.5837969094370368
Energy: 1.5829578093384724
Energy: 1.583796909439081
Energy: 1.7567795786482834
Energy: 1.3871240932289677
Energy: 1.5530462376856693
Energy: 1.3871240932269238
Energy: 1.5868454065627673
Energy: 1.5863829264440323
Energy: 1.5538496341214898
Energy: 1.5863829264440323
Energy: 1.5177567934290912
Energy: 1.3853218895327333
Energy: 1.5190039310221526
Energy: 1.3853218895327333
Energy: 1.5574788920467284
Energy: 1.3865894822528697
Energy: 1.2700055132341823
Energy: 1.3865894822528697
Energy: 1.5538689237465038
Energy: 1.3846438337916938
Energy: 1.2689308688641465
Energy: 1.3846438337916938
Energy: 1.7567036408597085
Energy: 1.385570419560907
Energy: 1.5169164130819475
Energy: 1.385570419560907

minimum gb energy = 1.2689308688641465 eV
minimum distance =  2.27850781927385 Angstroms
sigma value = 9


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

Energy: 1.9066948564124708
Energy: 1.764654575031997
Energy: 1.8282608130294642
Energy: 1.8242802711487427
Energy: 1.578995567260033
Energy: 1.422481128143708
Energy: 1.8518113461140382
Energy: 1.422481128143708
Energy: 1.4264315602855095
Energy: 1.4270855666138604
Energy: 1.7354855026003217
Energy: 1.4270855666138604
Energy: 1.4194284121982024
Energy: 1.4224219908343445
Energy: 1.8658659943217863
Energy: 1.4224219908343445
Energy: 1.4351552441311914
Energy: 1.4142102844921343
Energy: 1.8495995744854885
Energy: 1.4142102844913778
Energy: 1.5256042415217423
Energy: 1.4184445000387194
Energy: 1.8555267868486707
Energy: 1.4184445000372063
Energy: 1.9305289605546772
Energy: 1.8408013118357403
Energy: 1.8108934789906588
Energy: 1.8408013118357403
Energy: 1.817779146932666
Energy: 1.57284606890036
Energy: 1.7865098697981139
Energy: 1.5728460689011163
Energy: 1.5178266644115415
Energy: 1.5748582267786018
Energy: 1.5151404820873817
Energy: 1.5748582267831408
Energy: 1.419021406437419
Energy: 1.4777583409659178
Energy: 1.7331862693877447
Energy: 1.4777583409651613
Energy: 1.5668524608626397
Energy: 1.5638988412193608
Energy: 1.776897775865666
Energy: 1.5638988412193608
Energy: 1.5959868452465948
Energy: 1.6991622429017506
Energy: 1.9126402459433491
Energy: 1.699162242902507
Energy: 1.8325262630775947
Energy: 1.5890082775763503
Energy: 1.6644125095320474
Energy: 1.589008277575594
Energy: 1.8178339339649594
Energy: 1.5834283145920056
Energy: 1.6209695625346228
Energy: 1.5834283145950314
Energy: 1.6883314754414662
Energy: 1.5401671993875654
Energy: 1.5588183658769044
Energy: 1.540167199383852
Energy: 1.6229858641649553
Energy: 1.5413859638890808
Energy: 1.5395549540937385
Energy: 1.5413859635881486
Energy: 1.6813491344259086
Energy: 1.615631872738737
Energy: 1.6375941453374057
Energy: 1.6156318727372243
Energy: 1.7199678757741883
Energy: 1.7171099013684146
Energy: 1.7925877749040193
Energy: 1.717109901367658
Energy: 1.7340559855121935
Energy: 1.4585355499582908
Energy: 1.6182480891722226
Energy: 1.4585355499575343
Energy: 1.7340011861340463
Energy: 1.4939135126855487
Energy: 1.5304864859637144
Energy: 1.4939135126870615
Energy: 1.8163122077479372
Energy: 1.4861791000555338
Energy: 1.4822117479259884
Energy: 1.4861791000570466
Energy: 1.8558187544840399
Energy: 1.4414707007289504
Energy: 1.4559490664070542
Energy: 1.4414707007304632
Energy: 1.8495905197428641
Energy: 1.441886877514464
Energy: 1.5016751449429533
Energy: 1.4418868775084126
Energy: 1.8261272319962505
Energy: 1.7696372635949922
Energy: 1.9300053245786162
Energy: 1.7696372635927227
Energy: 1.788959574930647
Energy: 1.5761204913538447
Energy: 1.8166216690124952
Energy: 1.5761204913530882
Energy: 1.5195063608863675
Energy: 1.5691369801082145
Energy: 1.504473166451924
Energy: 1.569136980108971
Energy: 1.748467530800414
Energy: 1.477702992024547
Energy: 1.4180299745755514
Energy: 1.4777029920237903
Energy: 1.7965584380513373
Energy: 1.5659661147159667
Energy: 1.537364695222433
Energy: 1.5659661147167232
Energy: 1.9087411298811172
Energy: 1.578394872153399
Energy: 1.5764597224032901
Energy: 1.5783948721526426
Energy: 1.6125215371097876
Energy: 1.5343835581051355
Energy: 1.831825132589144
Energy: 1.5343835581051355
Energy: 1.6021097806155857
Energy: 1.5908202209664235
Energy: 1.7400175239070739
Energy: 1.5908202209702056
Energy: 1.5249256402980238
Energy: 1.540748836721751
Energy: 1.732141465550031
Energy: 1.5407488367187252
Energy: 1.479799194099545
Energy: 1.4776163415397643
Energy: 1.626966089625011
Energy: 1.4776163415359822
Energy: 1.5495932034105182
Energy: 1.5742810207449407
Energy: 1.6615214572878232
Energy: 1.574281020746454
Energy: 1.9089531996845532
Energy: 1.8218049598939718
Energy: 1.823838171884555
Energy: 1.8218049598924586

minimum gb energy = 1.4142102844913778 eV
minimum distance =  2.21582712722541 Angstroms
sigma value = 73


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

Energy: 1.8725651372366243
Energy: 1.5221074206559244
Energy: 1.753303812130911
Energy: 1.6653699654149725
Energy: 1.4918878220249887
Energy: 1.4127289486269217
Energy: 1.6170746978556079
Energy: 1.41272894861732
Energy: 1.413310595215391
Energy: 1.413097859990487
Energy: 1.6118706626035448
Energy: 1.413097859990487
Energy: 1.413639403102023
Energy: 1.4126860489866182
Energy: 1.838946420482393
Energy: 1.4126860489866182
Energy: 1.4756666978251234
Energy: 1.4382917190709643
Energy: 1.860193474935825
Energy: 1.4382917190721645
Energy: 1.4556414826778608
Energy: 1.4380220200696119
Energy: 1.7899157030622843
Energy: 1.4380220200696119
Energy: 1.5756509676821941
Energy: 1.7930795794822787
Energy: 1.7909500275285886
Energy: 1.7930795794810783
Energy: 1.610231186548697
Energy: 1.5824031111035133
Energy: 1.679945678737696
Energy: 1.5824031110999126
Energy: 1.5489424861810046
Energy: 1.5999943981252558
Energy: 1.6373927483458492
Energy: 1.5999943981252558
Energy: 1.4442733528724487
Energy: 1.649168661988836
Energy: 1.6781672057532586
Energy: 1.649168661988836
Energy: 1.5542930825816355
Energy: 1.3599211459717246
Energy: 1.6797969517605216
Energy: 1.3599211459717246
Energy: 1.489568035341457
Energy: 1.4057159611648808
Energy: 1.6930182915282137
Energy: 1.4057159611648808
Energy: 1.6465364778926928
Energy: 1.5745330147990004
Energy: 1.4665197225151043
Energy: 1.5745330147990004
Energy: 1.6113329788501336
Energy: 1.4769840045374654
Energy: 1.4653129995617038
Energy: 1.4769840044967142
Energy: 1.7470912566652659
Energy: 1.4645838761762833
Energy: 1.4648420642727153
Energy: 1.4645838761774834
Energy: 1.8648399093845505
Energy: 1.5091499747914765
Energy: 1.5102441662660087
Energy: 1.5091499747914765
Energy: 1.8347140574921204
Energy: 1.538790970380271
Energy: 1.5927079023013935
Energy: 1.538790970379071
Energy: 1.7618976922885132
Energy: 1.7343518951106152
Energy: 2.247927990241545
Energy: 1.7343518951106152
Energy: 1.6414352478090288
Energy: 1.5373675478495075
Energy: 1.6116192439316066
Energy: 1.5373675478435067
Energy: 1.5528575943569451
Energy: 1.5159369383793524
Energy: 1.5948957503624044
Energy: 1.5159369383793524
Energy: 1.6403568299599116
Energy: 1.6236333716596156
Energy: 1.445499569496717
Energy: 1.6236333716596156
Energy: 1.8559613398743258
Energy: 1.5838825409031048
Energy: 1.6111508487527904
Energy: 1.5838825409031048

minimum gb energy = 1.3599211459717246 eV
minimum distance =  2.15382228427954 Angstroms
sigma value = 7


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

Energy: 2.132529287458592
Energy: 1.3814972617481331
Energy: 1.6552514510410188
Energy: 1.6564141450325682
Energy: 1.551368858832867
Energy: 1.4989765207878154
Energy: 1.7615529924561222
Energy: 1.4989765207869667
Energy: 1.389381719874968
Energy: 1.388918858435441
Energy: 1.4940200303328344
Energy: 1.3889188584345924
Energy: 1.3837575108030948
Energy: 1.387965032350167
Energy: 1.7797292397929425
Energy: 1.3879650323476211
Energy: 1.3897224211779677
Energy: 1.3900353829532255
Energy: 1.6103000961265501
Energy: 1.3900353829540741
Energy: 1.389277513563283
Energy: 1.390210610816069
Energy: 1.60997237214847
Energy: 1.3902106108169179
Energy: 1.8197962055496284
Energy: 1.3900936151911687
Energy: 1.3875382576447126
Energy: 1.39009361519032
Energy: 1.727956424880971
Energy: 1.3899406172452697
Energy: 1.3900718080080239
Energy: 1.3899406172435724
Energy: 1.7597365887623333
Energy: 1.3884526920727374
Energy: 1.386246687179973
Energy: 1.3884526920744344
Energy: 1.6124491207779605
Energy: 1.5920202464367335
Energy: 1.39131688341343
Energy: 1.592020366235737
Energy: 1.5378787446684976
Energy: 1.5026944571873253
Energy: 1.7582879488739322
Energy: 1.502694457183082
Energy: 1.6578897341136378
Energy: 1.6075745120878357
Energy: 1.8740113162750187
Energy: 1.607574512377922
Energy: 1.5000463371408186
Energy: 1.4990073249774634
Energy: 1.5522028128291252
Energy: 1.4990073249766147
Energy: 1.4976073259398566
Energy: 1.4698166073252328
Energy: 1.3806831331981784
Energy: 1.469816607323535
Energy: 1.6774614147960156
Energy: 1.4984940473394113
Energy: 1.3763820707908223
Energy: 1.4984940473428061
Energy: 1.7918625966847894
Energy: 1.607347677842828
Energy: 1.6575581845414094
Energy: 1.6073476779226017
Energy: 1.7953484948242502
Energy: 1.4994593560696436
Energy: 1.779606318702031
Energy: 1.4994593560713407
Energy: 1.3922908149904043
Energy: 1.5921369180623572
Energy: 1.4919167208100863
Energy: 1.5921369180640543
Energy: 1.385626111136848
Energy: 1.3887974773412348
Energy: 1.7791199045955104
Energy: 1.3887974773412348
Energy: 1.3920737672593788
Energy: 1.3897108989125189
Energy: 1.788835962671738
Energy: 1.3897108989142164
Energy: 1.3874667013155348
Energy: 1.390812065587199
Energy: 1.6172340610231286
Energy: 1.390812065587199
Energy: 1.7275113604984556
Energy: 1.389540054176692
Energy: 1.3893163236126158
Energy: 1.3895400541758436
Energy: 1.8185913782432674
Energy: 1.3891176632244076
Energy: 1.3940993226512686
Energy: 1.3891176632278022
Energy: 1.764556646889941
Energy: 1.3875379479262266
Energy: 1.3848334832445035
Energy: 1.3875379479262266
Energy: 1.6143234461812035
Energy: 1.388966897747333
Energy: 1.3895193206235958
Energy: 1.3889668977456355
Energy: 1.7176973757458465
Energy: 1.498851395679336
Energy: 1.3912721299740167
Energy: 1.4988513956818816
Energy: 1.6549661142243004
Energy: 1.6562228160010506
Energy: 1.8683141744525456
Energy: 1.6562228160010506
Energy: 1.5535232843012436
Energy: 1.4989588097735276
Energy: 1.4980157740443252
Energy: 1.4989588097718303
Energy: 1.4977192330938298
Energy: 1.473382294741955
Energy: 1.5512909339072893
Energy: 1.4733822947436523
Energy: 1.5529188320512575
Energy: 1.4995617740694571
Energy: 1.375505996932872
Energy: 1.4995617740779437
Energy: 1.7903446354017656
Energy: 1.4986618616261884
Energy: 1.654645215086281
Energy: 1.498662317413195

minimum gb energy = 1.375505996932872 eV
minimum distance =  2.175831406799 Angstroms
sigma value = 29


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

Energy: 1.1870801468397256
Energy: 1.1889169114645186
Energy: 1.510778194195724
Energy: 1.6066612137123022
Energy: 1.1912327926352966
Energy: 1.3662118299741235
Energy: 1.3286212277565184
Energy: 1.3662118299744195
Energy: 1.5087695186088346
Energy: 1.6097914903239934
Energy: 1.1971875326260695
Energy: 1.609791490323435
Energy: 1.2481543820037329
Energy: 1.2153571711125835
Energy: 1.2218293182329678
Energy: 1.2153571711120248
Energy: 1.2131423652108857
Energy: 1.219009636489125
Energy: 1.1908421446233797
Energy: 1.2190096364897165
Energy: 1.2223353914574493
Energy: 1.3691906849494535
Energy: 1.1906940715668137
Energy: 1.369190684948862
Energy: 1.1997245758577055
Energy: 1.369773570841769
Energy: 1.5072273225854944
Energy: 1.3697735708420646
Energy: 1.3275528247133928
Energy: 1.2162109930338343
Energy: 1.245000809495182
Energy: 1.2162109930335714
Energy: 1.1912712857177838
Energy: 1.2150249938384274
Energy: 1.2177592934497798
Energy: 1.215024993838132

minimum gb energy = 1.1870801468397256 eV
minimum distance =  2.24070938222451 Angstroms
sigma value = 5


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

Energy: 1.63899906789358
Energy: 1.3794545002087613
Energy: 1.618510772226057
Energy: 1.6197180966572409
Energy: 1.3052660277718333
Energy: 1.2921915214284327
Energy: 1.5123136002348279
Energy: 1.2921915214284327
Energy: 1.5122459733711577
Energy: 1.2921198698558092
Energy: 1.4775462935958068
Energy: 1.2921198698558092
Energy: 1.3085866990247814
Energy: 1.290859546011093
Energy: 1.5103176351532002
Energy: 1.2908595460118948
Energy: 1.6005659282610614
Energy: 1.2970581302870416
Energy: 1.8280146864745346
Energy: 1.2970581302870416
Energy: 1.435595169691194
Energy: 1.2970311855742767
Energy: 1.8267603793278355
Energy: 1.2970311855742767
Energy: 1.2911901840882998
Energy: 1.2896815915213733
Energy: 1.5122610141501662
Energy: 1.2896815915197701
Energy: 1.2922007335805097
Energy: 1.2931195854361708
Energy: 1.6465471178488666
Energy: 1.2931195854369726
Energy: 1.510493757056773
Energy: 1.3693952350546443
Energy: 1.6990449114273034
Energy: 1.3693952350546443
Energy: 1.4702893385632603
Energy: 1.2830672308917674
Energy: 1.511166358281689
Energy: 1.2830672308909656
Energy: 1.3946577505596125
Energy: 1.2741470270306328
Energy: 1.2747721024707104
Energy: 1.2741470270290298
Energy: 1.6920480046948585
Energy: 1.27712514676518
Energy: 1.324748762300622
Energy: 1.27712514676518
Energy: 1.6470935313893171
Energy: 1.3243052760714504
Energy: 1.5104365040232752
Energy: 1.3243052760714504
Energy: 1.51641948279143
Energy: 1.3699577251836055
Energy: 1.5011011889017967
Energy: 1.3699577251836055
Energy: 1.3012226841784513
Energy: 1.369885990972712
Energy: 1.5051400328165314
Energy: 1.369885990972712
Energy: 1.29192034102551
Energy: 1.291101135530452
Energy: 1.523433712199758
Energy: 1.2911011355288486
Energy: 1.6181766123430508
Energy: 1.6186623726127063
Energy: 2.143272731080621
Energy: 1.618662372611103
Energy: 1.5076064421438913
Energy: 1.2928236584556008
Energy: 1.3169019006194127
Energy: 1.2928236584556008
Energy: 1.4767735824742696
Energy: 1.2926339714017245
Energy: 1.5080477956434233
Energy: 1.2926339714009227
Energy: 1.5118504177403458
Energy: 1.29057330722134
Energy: 1.3042056910609439
Energy: 1.2905733072221417
Energy: 1.8262693155873913
Energy: 1.2958323785011787
Energy: 1.5981085707451885
Energy: 1.2958323785027819
Energy: 1.8093628311040113
Energy: 1.3100456932633349
Energy: 1.3941151777615164
Energy: 1.3100456932657398
Energy: 1.5121021032417623
Energy: 1.2904369384733865
Energy: 1.2888726636585466
Energy: 1.2904369384733865
Energy: 1.6934773785800472
Energy: 1.292446485810646
Energy: 1.2924511175391746
Energy: 1.2924464858114477
Energy: 1.6962957740971367
Energy: 1.3695160072401253
Energy: 1.3933802278666592
Energy: 1.3695160072417285
Energy: 1.509428567752287
Energy: 1.2819784493524184
Energy: 1.4700770058311319
Energy: 1.2819784493540214
Energy: 1.27862194434738
Energy: 1.2743899112833927
Energy: 1.5102638755962416
Energy: 1.2743899112833927
Energy: 1.3256935054212609
Energy: 1.2757381526985863
Energy: 1.304511833121803
Energy: 1.2757381526977845
Energy: 1.5093448907565499
Energy: 1.5475000277179847
Energy: 1.6441119669622903
Energy: 1.5475000277179847
Energy: 1.5030002946463557
Energy: 1.3690603806315538
Energy: 1.3973754103491776
Energy: 1.3690603806315538
Energy: 1.5035402878754955
Energy: 1.3692050361847143
Energy: 1.2929187782472709
Energy: 1.3692050361847143
Energy: 1.5228169206313322
Energy: 1.2917143564617937
Energy: 1.2935736676851386
Energy: 1.291714356460992
Energy: 1.3014314451339033
Energy: 1.3917099335070853
Energy: 1.6172872940482224
Energy: 1.3917099335078873

minimum gb energy = 1.2741470270290298 eV
minimum distance =  2.22380277769201 Angstroms
sigma value = 1


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

Energy: 1.9048989574892556
Energy: 1.3826060755997815
Energy: 1.2725778104876397
Energy: 1.5880508507394326
Energy: 1.4973746669774899
Energy: 1.2712598442780172
Energy: 1.5534135360726344
Energy: 1.2712598442758005
Energy: 1.5480176300483859
Energy: 1.4165649090661008
Energy: 1.5508533956901474
Energy: 1.4165649090661008
Energy: 1.3859411244227413
Energy: 1.2757357497466895
Energy: 1.5526298782054433
Energy: 1.2757357497455812
Energy: 1.6181515803868705
Energy: 1.2767325592057346
Energy: 1.505892378690603
Energy: 1.276732559206843
Energy: 1.3993756510075155
Energy: 1.2772785543611163
Energy: 1.5092066665856425
Energy: 1.2772785543622247
Energy: 1.2755431551578824
Energy: 1.2758811012242044
Energy: 1.6781476640795243
Energy: 1.2758811012242044
Energy: 1.2955821939794847
Energy: 1.3001513560808875
Energy: 1.6607086651112177
Energy: 1.3001513560819962
Energy: 1.2671732782875569
Energy: 1.3845080128873541
Energy: 1.7543234755431723
Energy: 1.3845080128884628
Energy: 1.617185191769416
Energy: 1.2300981787828855
Energy: 1.3633911047979226
Energy: 1.230098178780669
Energy: 1.6686438025061123
Energy: 1.2448452275219641
Energy: 1.362763466888645
Energy: 1.2448452275208557
Energy: 1.7731955307305494
Energy: 1.2282282318543312
Energy: 1.36978407422701
Energy: 1.2282282318543312
Energy: 1.7655161546988478
Energy: 1.2458252122313591
Energy: 1.4419712206418476
Energy: 1.2458252122313591
Energy: 1.6657401254537862
Energy: 1.2270520341682851
Energy: 1.6442935066297157
Energy: 1.2270520341693936
Energy: 1.3850401759660593
Energy: 1.3672106361026581
Energy: 1.6421007720357215
Energy: 1.3672106361026581
Energy: 1.3864286441853197
Energy: 1.2769418626534461
Energy: 1.6455121252509035
Energy: 1.2769418626523377
Energy: 1.8285797967484565
Energy: 1.624934636811516
Energy: 2.2587770469673707
Energy: 1.624934636811516
Energy: 1.2773884150756727
Energy: 1.2791770263525255
Energy: 1.5062539935902672
Energy: 1.279177026351417
Energy: 1.2774217857661638
Energy: 1.2772487787232158
Energy: 1.7548398263649951
Energy: 1.2772487787243243
Energy: 1.277324916041439
Energy: 1.2776318436004797
Energy: 1.9122112863222254
Energy: 1.2776318435993712
Energy: 1.663931176333296
Energy: 1.3866513287657851
Energy: 1.607821984775208
Energy: 1.3866513287657851
Energy: 1.6400779919803712
Energy: 1.270712942220379
Energy: 1.2717378990205102
Energy: 1.2707129422192702
Energy: 1.7374583070259197
Energy: 1.2700451666966992
Energy: 1.2703058325939802
Energy: 1.270045166695591
Energy: 1.8575170920030348
Energy: 1.3297404996773088
Energy: 1.3416816300813754
Energy: 1.3297404996784172

minimum gb energy = 1.2270520341682851 eV
minimum distance =  2.20329638649503 Angstroms
sigma value = 17


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

Energy: 1.8412872023419053
Energy: 1.341633453597901
Energy: 1.620182390104896
Energy: 1.616394161092841
Energy: 1.4797078828011492
Energy: 1.250160587321739
Energy: 1.4366319187389573
Energy: 1.250160587321739
Energy: 1.6023925917799529
Energy: 1.3295141113087376
Energy: 1.4059684469069773
Energy: 1.3295141113087376
Energy: 1.544169160701992
Energy: 1.2348686705225946
Energy: 1.3448986155652711
Energy: 1.2348686705225946
Energy: 1.4828801727478496
Energy: 1.2392899860803694
Energy: 1.7238814816067811
Energy: 1.2392899860789994
Energy: 1.274939097870158
Energy: 1.2676430189149843
Energy: 1.5859624853556822
Energy: 1.2676430189156696
Energy: 1.237214139436867
Energy: 1.2351100614105452
Energy: 1.3413526295661906
Energy: 1.2351100614112307
Energy: 1.2670400422702406
Energy: 1.236961436313808
Energy: 1.8469890796767126
Energy: 1.2369614363158634
Energy: 1.72572584045814
Energy: 1.23769465971327
Energy: 1.7663696431025926
Energy: 1.23769465971327
Energy: 1.3983195270553572
Energy: 1.251697243113376
Energy: 1.4287991329238896
Energy: 1.251697243113376
Energy: 1.8094031312253092
Energy: 1.3317757705123097
Energy: 1.256486332623861
Energy: 1.3317757705116247
Energy: 1.5875396890124502
Energy: 1.2526377230445818
Energy: 1.505447567667637
Energy: 1.2526377230438965
Energy: 1.5942855253420574
Energy: 1.3231271235364501
Energy: 1.3489913143498102
Energy: 1.3231271235364501
Energy: 1.5931577869527365
Energy: 1.2482886222433311
Energy: 1.2519191388936246
Energy: 1.248288622244016
Energy: 1.5478830735525888
Energy: 1.2509918169730874
Energy: 1.2570368267916512
Energy: 1.2509918169724021
Energy: 1.8533584805388084
Energy: 1.3164164945124663
Energy: 1.2489290029456004
Energy: 1.3164164945124663
Energy: 1.2478514813960127
Energy: 1.2549366277232428
Energy: 1.692460925618716
Energy: 1.2549366277232428
Energy: 1.2530330628175295
Energy: 1.2489087181267273
Energy: 1.8095494501249165
Energy: 1.248908718125357
Energy: 1.324440803709548
Energy: 1.2503855988973247
Energy: 1.76867588448404
Energy: 1.2503855988973247
Energy: 1.6236753280872431
Energy: 1.4000490828971337
Energy: 1.8422560170756777
Energy: 1.4000490828978192
Energy: 1.4355638694503587
Energy: 1.2499161576108728
Energy: 1.5898523156051807
Energy: 1.249916157610188
Energy: 1.4340512256003803
Energy: 1.3300962120249222
Energy: 1.5968481783545838
Energy: 1.3300962120249222
Energy: 1.3319547759468313
Energy: 1.2351507483002222
Energy: 1.5928005861095351
Energy: 1.2351507483015924
Energy: 1.7092360849381187
Energy: 1.2407905803130828
Energy: 1.2666016385278174
Energy: 1.2407905803103423
Energy: 1.8097354918939386
Energy: 1.2385456793753589
Energy: 1.2695018623484118
Energy: 1.238545679376044
Energy: 1.5298396912159962
Energy: 1.236343373972189
Energy: 1.241598491727042
Energy: 1.236343373971504
Energy: 1.843461153831237
Energy: 1.2699464323175775
Energy: 1.2668357136266748
Energy: 1.269946432319633
Energy: 1.7639793046697911
Energy: 1.2371893478751061
Energy: 1.7270501790935562
Energy: 1.237189347875791
Energy: 1.4437989315576578
Energy: 1.248829283215444
Energy: 1.4018166788772204
Energy: 1.2488292832127035
Energy: 1.2587734147486802
Energy: 1.2474601116142796
Energy: 1.8127239699432296
Energy: 1.2474601116135946
Energy: 1.5111431642515682
Energy: 1.2537859411829004
Energy: 1.5872262301841626
Energy: 1.2537859411835854
Energy: 1.3488243870534116
Energy: 1.2871483538394246
Energy: 1.5906499124567597
Energy: 1.2871483538407946
Energy: 1.248412651214146
Energy: 1.2472477486729443
Energy: 1.8101797073182924
Energy: 1.2472477486749995
Energy: 1.249345997316735
Energy: 1.2511539424121767
Energy: 1.545640260444714
Energy: 1.2511539424121767
Energy: 1.8101160250096238
Energy: 1.3142411412927573
Energy: 1.8496866195426696
Energy: 1.3142411412927573
Energy: 1.6914817349233355
Energy: 1.2559337385709874
Energy: 1.2472924340033813
Energy: 1.2559337385703022
Energy: 1.8101057394436815
Energy: 1.2479532740263142
Energy: 1.2489971205502708
Energy: 1.2479532740276842
Energy: 1.2584044314651033
Energy: 1.25186922357488
Energy: 1.3306055014657008
Energy: 1.2518692235741948

minimum gb energy = 1.2348686705225946 eV
minimum distance =  2.21083482318704 Angstroms
sigma value = 89


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

Energy: 1.9189710203798438
Energy: 1.214482515831427
Energy: 1.1479069392690164
Energy: 1.1482559859033667
Energy: 1.8398039359215188
Energy: 1.151860808206669
Energy: 1.5142339682376142
Energy: 1.151860808206669
Energy: 1.137612896771261
Energy: 1.2846089219617458
Energy: 1.5145513913055855
Energy: 1.2846089219617458
Energy: 1.1391825253254517
Energy: 1.152037905484177
Energy: 1.2652887129886239
Energy: 1.152037905484177
Energy: 1.2616048646016047
Energy: 1.1508693628369042
Energy: 1.5064285670349074
Energy: 1.1508693628404891
Energy: 1.1490744465576594
Energy: 1.1504629792769512
Energy: 1.5050866823047044
Energy: 1.1504629792787437
Energy: 1.1463916287284819
Energy: 1.1470812137546498
Energy: 1.2631913486203716
Energy: 1.1470812137546498
Energy: 1.1494095143427954
Energy: 1.1498528652045323
Energy: 1.8406744379752107
Energy: 1.14985286520274
Energy: 1.4975566962858748
Energy: 1.151588892146444
Energy: 1.8402913964188832
Energy: 1.151588892146444
Energy: 1.534259464331833
Energy: 1.2857467595656835
Energy: 1.2635340014431133
Energy: 1.2857467595638907
Energy: 1.524019216662121
Energy: 1.284959534813353
Energy: 1.1361762306255672
Energy: 1.2849595348151457
Energy: 1.503898371831842
Energy: 1.1526015365424664
Energy: 1.2660000383474104
Energy: 1.1526015365424664
Energy: 1.4794359687520615
Energy: 1.1486463048119189
Energy: 1.14832201977654
Energy: 1.1486463048119189
Energy: 1.2637270235283116
Energy: 1.1466844092154693
Energy: 1.1445394669180216
Energy: 1.1466844092154693
Energy: 1.8401624841383566
Energy: 1.1495540661730879
Energy: 1.1495072500412589
Energy: 1.1495540661730879

minimum gb energy = 1.1361762306255672 eV
minimum distance =  2.24513521307629 Angstroms
sigma value = 13


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

Energy: 1.7302130569439709
Energy: 1.2005075681263369
Energy: 1.5126409623851225
Energy: 1.5139855175739982
Energy: 1.8189494443263243
Energy: 1.1245480878647869
Energy: 1.2684173769828082
Energy: 1.1245480878677923
Energy: 1.7145406954549205
Energy: 1.1242112463032452
Energy: 1.2714522191103215
Energy: 1.1242112463062506
Energy: 1.4061640513932352
Energy: 1.400118207029699
Energy: 1.2665052634933627
Energy: 1.4001182070281963
Energy: 1.267566872742303
Energy: 1.215543471659153
Energy: 1.5848969174578575
Energy: 1.2155434716629099
Energy: 1.2765551809885365
Energy: 1.124622085477551
Energy: 1.584879732479693
Energy: 1.1246220854767994
Energy: 1.2731316535330928
Energy: 1.1249859429410527
Energy: 1.633093816149842
Energy: 1.124985942944058
Energy: 1.2117753795264263
Energy: 1.1328476600155775
Energy: 1.8231401409769892
Energy: 1.132847660011821
Energy: 1.1248567468393016
Energy: 1.1266376314117985
Energy: 1.8111658221942422
Energy: 1.126637631410296
Energy: 1.1281501571838792
Energy: 1.124287932185732
Energy: 1.847152629139324
Energy: 1.1242879321872346
Energy: 1.1246939372864377
Energy: 1.1337643660253662
Energy: 1.730889555700002
Energy: 1.1337643660276202
Energy: 1.6298119320616147
Energy: 1.1247090763685779
Energy: 1.6530953511594833
Energy: 1.1247090763648893
Energy: 1.5874368936350869
Energy: 1.2060922640077048
Energy: 1.5563663635627567
Energy: 1.2060922640122125
Energy: 1.6299138367447517
Energy: 1.1235119238022362
Energy: 1.408316573709021
Energy: 1.1235119238014848
Energy: 1.8297795358833981
Energy: 1.1281638290285436
Energy: 1.5942581611389302
Energy: 1.1281638290315492
Energy: 1.8207989611045676
Energy: 1.1270057945845262
Energy: 1.1413688558623492
Energy: 1.1270057945852776
Energy: 1.6711386054495032
Energy: 1.1252157266625569
Energy: 1.1254178958951206
Energy: 1.125215726660303
Energy: 1.7333879583832312
Energy: 1.168794560409941
Energy: 1.1251077754605017
Energy: 1.168794560407687
Energy: 1.8781516248375183
Energy: 1.1265396181922591
Energy: 1.3565124551808685
Energy: 1.1265396181915075
Energy: 1.5971846484971122
Energy: 1.1235072243639659
Energy: 1.2664387179142975
Energy: 1.1235072243624633
Energy: 1.4027393460524036
Energy: 1.1302174965078993
Energy: 1.2668045564037471
Energy: 1.1302174965094018
Energy: 1.5651830709603727
Energy: 1.2109977086461456
Energy: 1.6234555690711168
Energy: 1.2109977086461456
Energy: 1.2697664936004784
Energy: 1.1257125457886952
Energy: 1.5853828058693569
Energy: 1.1257125457894468
Energy: 1.126342706617249
Energy: 1.1236458762436803
Energy: 1.6760969913787618
Energy: 1.123645876242929
Energy: 1.3071070739474446
Energy: 1.1636323422120851
Energy: 1.8142370838362865
Energy: 1.1636323422098311
Energy: 1.1687255750607322
Energy: 1.1301678754201845
Energy: 1.816098977078798
Energy: 1.1301678754186817
Energy: 1.1240381205369439
Energy: 1.1232020394569642
Energy: 1.6001191135304174
Energy: 1.1232020394539588
Energy: 1.123713709930013
Energy: 1.1289910203739006
Energy: 1.73499185557466
Energy: 1.1289910203761548
Energy: 1.5873845396752626
Energy: 1.1257612759221258
Energy: 1.8794350265292254
Energy: 1.1257612759206233
Energy: 1.2652224221975368
Energy: 1.2107507883817985
Energy: 1.5887579343392924
Energy: 1.2107507883795445
Energy: 1.6673151474476018
Energy: 1.2175298486345154
Energy: 1.403919275698649
Energy: 1.2175298486360182
Energy: 1.8216345563608478
Energy: 1.1259504204112163
Energy: 1.5887188465601731
Energy: 1.125950420414973
Energy: 1.8302411649738197
Energy: 1.1294683651855777
Energy: 1.1244865731664353
Energy: 1.1294683651878317
Energy: 1.677480075006014
Energy: 1.123933783634101
Energy: 1.124264784559608
Energy: 1.123933783636355
Energy: 1.8653733473633378
Energy: 1.1664093049496866
Energy: 1.1621223970028158
Energy: 1.1664093049519404

minimum gb energy = 1.1232020394539588 eV
minimum distance =  2.23607465113563 Angstroms
sigma value = 37


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

Energy: 1.6892612786897476
Energy: 1.156357446428952
Energy: 1.07061420724466
Energy: 1.0680610698214592
Energy: 1.6417186176945608
Energy: 1.0693577728013883
Energy: 1.324030793862452
Energy: 1.0693577728013883
Energy: 1.6150249396701657
Energy: 1.2104557280567723
Energy: 1.3378566205527858
Energy: 1.2104557280567723
Energy: 1.6507354916683246
Energy: 1.322431670351747
Energy: 1.3262822084659416
Energy: 1.322431670351747
Energy: 1.588278399204633
Energy: 1.2112070498794707
Energy: 1.4010002443568876
Energy: 1.211207049878178
Energy: 1.1558432261226086
Energy: 1.0598020409638413
Energy: 1.6156506301648248
Energy: 1.0598020409625488
Energy: 1.1555647466644174
Energy: 1.0592344663521616
Energy: 1.52088001002282
Energy: 1.0592344663521616
Energy: 1.3329149379418712
Energy: 1.0590896973118613
Energy: 1.775820228163917
Energy: 1.0590896973105686
Energy: 1.1646565152567656
Energy: 1.0622876009179791
Energy: 1.77587132558569
Energy: 1.0622876009179791
Energy: 1.1817601077991662
Energy: 1.0323615256496705
Energy: 1.5202380649143108
Energy: 1.032361525650963
Energy: 1.320903807778876
Energy: 1.3220251049567922
Energy: 1.5222283124237321
Energy: 1.3220251049567922
Energy: 1.4148470316666868
Energy: 1.032046676643032
Energy: 1.521765401321655
Energy: 1.032046676643032
Energy: 1.4180219786877744
Energy: 1.202296302465362
Energy: 1.6137864793475631
Energy: 1.2022963024666542
Energy: 1.4333404507067282
Energy: 1.2030286219965727
Energy: 1.650666492574242
Energy: 1.2030286219965727
Energy: 1.4010002443568876
Energy: 1.2029797932715958
Energy: 1.5192221225823215
Energy: 1.2029797932715958
Energy: 1.6156506301648248
Energy: 1.067515709461207
Energy: 1.3487110454473212
Energy: 1.067515709461207
Energy: 1.5901935044049331
Energy: 1.0676088092709002
Energy: 1.1555168898384753
Energy: 1.0676088092696074
Energy: 1.775820228163917
Energy: 1.181221362276123
Energy: 1.191335992608261
Energy: 1.1812213622774155
Energy: 1.7758713255843972
Energy: 1.0680642066390444
Energy: 1.0683141694881113
Energy: 1.0680642066390444
Energy: 1.5886769902867477
Energy: 1.0694710539626968
Energy: 1.0690362079262
Energy: 1.0694710539626968

minimum gb energy = 1.032046676643032 eV
minimum distance =  2.21950561732625 Angstroms
sigma value = 25


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

Energy: 1.921896667792873
Energy: 1.0343684646188591
Energy: 0.9585289868904899
Energy: 0.9589312525878839
Energy: 1.7261525114148903
Energy: 0.9580661582667758
Energy: 1.1396730429145683
Energy: 0.9580661582667758
Energy: 1.7037933308938562
Energy: 0.9570034724607518
Energy: 1.1392332923551143
Energy: 0.9570034724597423
Energy: 1.427761745426476
Energy: 1.0513192045991702
Energy: 1.437716140477032
Energy: 1.0513192046001798
Energy: 1.7126190357109297
Energy: 1.0702364829592705
Energy: 1.5149223219910484
Energy: 1.0702364829582611
Energy: 1.4330257671059603
Energy: 1.0678464947675181
Energy: 1.5168782815968667
Energy: 1.0678464947675181
Energy: 1.4313138178649638
Energy: 0.9530648613104782
Energy: 1.515339556473003
Energy: 0.9530648613104782
Energy: 1.1642359087497456
Energy: 1.062055663725493
Energy: 1.6761004824754746
Energy: 1.0620556637275118
Energy: 1.165291443524789
Energy: 0.9535523537042124
Energy: 1.6575836498694776
Energy: 0.9535523537042124
Energy: 1.1680597638261154
Energy: 0.9541239709810019
Energy: 1.6367283662822159
Energy: 0.9541239709799925
Energy: 1.0366304412593539
Energy: 0.9537952433474044
Energy: 1.665945682410931
Energy: 0.9537952433474044
Energy: 1.035841693721706
Energy: 0.9550282334556605
Energy: 1.636623432427805
Energy: 0.9550282334556605
Energy: 1.049805410307855
Energy: 0.9414843509695275
Energy: 1.6384512495413481
Energy: 0.9414843509685181
Energy: 1.1121784416352374
Energy: 0.9389935358081041
Energy: 1.6326040608315673
Energy: 0.9389935358091136
Energy: 1.2240882898395846
Energy: 0.9398639807481706
Energy: 1.637781959177239
Energy: 0.9398639807481706
Energy: 1.2191389327731237
Energy: 0.955246040359876
Energy: 1.7047467525616182
Energy: 0.9552460403578574
Energy: 1.517116784079858
Energy: 0.9567756314497879
Energy: 1.7061733844733697
Energy: 0.9567756314507974
Energy: 1.2159329725381884
Energy: 1.0709562362164793
Energy: 1.5222192543026876
Energy: 1.0709562362174887
Energy: 1.5136467946492904
Energy: 1.0664762507452434
Energy: 1.4319704549491377
Energy: 1.066476250744234
Energy: 1.6588770907040533
Energy: 1.0650138340382693
Energy: 1.4323264556162425
Energy: 1.06501383403726
Energy: 1.6674682223233428
Energy: 0.9617169091382527
Energy: 1.1611997464713357
Energy: 0.9617169091392621
Energy: 1.6623030141493846
Energy: 0.9559976169919664
Energy: 1.035667940016439
Energy: 0.9559976169909569
Energy: 1.832549389207844
Energy: 0.960006234173857
Energy: 1.161954812279278
Energy: 0.960006234173857
Energy: 1.669450226246517
Energy: 0.9565861984701614
Energy: 0.9572119063147255
Energy: 0.9565861984721801
Energy: 1.6549907675009687
Energy: 0.9575979318838868
Energy: 0.9590349268193751
Energy: 0.9575979318838868
Energy: 1.700523280481521
Energy: 0.9731587515528609
Energy: 0.968430309297159
Energy: 0.9731587515538702

minimum gb energy = 0.9389935358081041 eV
minimum distance =  2.22983056340743 Angstroms
sigma value = 41


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

Energy: 1.950108720024215
Energy: 0.9333278578998984
Energy: 0.8667512122738928
Energy: 0.8668848127777862
Energy: 1.7002990234529363
Energy: 0.8660872781917723
Energy: 1.0217934950955136
Energy: 0.8660872781925246
Energy: 1.7052727473926168
Energy: 0.8650720759094952
Energy: 1.0185213540747675
Energy: 0.86507207590784
Energy: 1.5411752188112626
Energy: 0.8701559385938175
Energy: 1.3420550594751877
Energy: 0.8701559385938175
Energy: 1.703482700038161
Energy: 0.8626670941358439
Energy: 1.3184980290156258
Energy: 0.8626670941350164
Energy: 1.4654960147844247
Energy: 0.864616569279227
Energy: 1.3228086058737307
Energy: 0.8646165692783995
Energy: 1.4606780131292167
Energy: 0.959621563398596
Energy: 1.5821590436113304
Energy: 0.9596215633977684
Energy: 1.5899387430021465
Energy: 0.9620516266893204
Energy: 1.3480193719919193
Energy: 0.9620516266909755
Energy: 1.1647707849639855
Energy: 0.8635283796219967
Energy: 1.5844106815568795
Energy: 0.8635283796244793
Energy: 1.1679468562068351
Energy: 0.8631722148379537
Energy: 1.7115186504732
Energy: 0.863172214838781
Energy: 1.010156045287884
Energy: 0.8715225900215833
Energy: 1.7441419973784111
Energy: 0.8715225900215833
Energy: 1.011942344540714
Energy: 0.8648051622782038
Energy: 1.8213377471341161
Energy: 0.8648051622782038
Energy: 1.0318887651038202
Energy: 0.8668612256679162
Energy: 1.8154783826756051
Energy: 0.8668612256679162
Energy: 0.8642299505335788
Energy: 0.8646540237512249
Energy: 1.6340403152649419
Energy: 0.8646540237512249
Energy: 0.8652252533616522
Energy: 0.8650816421593699
Energy: 1.8159614471664465
Energy: 0.8650816421601975
Energy: 0.8643998374254245
Energy: 0.8666476985486247
Energy: 1.6948184247588272
Energy: 0.8666476985477972
Energy: 1.0252140871637763
Energy: 0.8693522606011191
Energy: 1.6962807604955628
Energy: 0.8693522606002918
Energy: 1.0100806489914924
Energy: 0.8637056368996769
Energy: 1.7030164716724978
Energy: 0.8637056369013322
Energy: 1.0090490325602355
Energy: 0.867818913934445
Energy: 1.4706942860122112
Energy: 0.867818913934445
Energy: 1.3297625772537696
Energy: 0.8659657612984559
Energy: 1.466159569402132
Energy: 0.8659657612976285
Energy: 1.3464145957207023
Energy: 0.8652381406177406
Energy: 1.5831664670214183
Energy: 0.8652381406185682
Energy: 1.331075750185661
Energy: 0.9562233258421657
Energy: 1.4618060698118858
Energy: 0.9562233258413382
Energy: 1.5857629235545396
Energy: 0.9544745051290399
Energy: 1.4634304449789561
Energy: 0.9544745051290399
Energy: 1.3186402657139584
Energy: 0.9567827228914142
Energy: 1.3220019448088143
Energy: 0.9567827228905866
Energy: 1.5827911700529123
Energy: 0.8632236570192625
Energy: 1.1544436573592993
Energy: 0.8632236570209174
Energy: 1.5878134222182134
Energy: 0.8658371671405471
Energy: 1.3250484012784631
Energy: 0.8658371671405471
Energy: 1.5791687454686667
Energy: 0.8681137510685902
Energy: 1.0255458060557965
Energy: 0.8681137510685902
Energy: 1.8148067072831335
Energy: 0.8631840864004108
Energy: 1.0083193818156941
Energy: 0.8631840863995832
Energy: 1.578022821291703
Energy: 0.8725871794940654
Energy: 1.02497257753308
Energy: 0.8725871794948928
Energy: 1.5871074440034216
Energy: 0.8700851188652412
Energy: 0.8650254201207901
Energy: 0.8700851188652412
Energy: 1.816398394142664
Energy: 0.864812609134623
Energy: 0.866885636526412
Energy: 0.8648126091337955
Energy: 1.6958581953339986
Energy: 0.87151923260394
Energy: 0.8646920647731698
Energy: 0.8715192326047676

minimum gb energy = 0.8626670941350164 eV
minimum distance =  2.23769380514814 Angstroms
sigma value = 15


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

Energy: 1.7001875844077114
Energy: 0.8610542996624275
Energy: 1.2749516608728975
Energy: 0.8048803521813177
Energy: 1.849941493673992
Energy: 0.8034224154937463
Energy: 0.9313892590122077
Energy: 0.8034224154944474
Energy: 1.7460276295065804
Energy: 0.802392523046035
Energy: 0.9305584224063812
Energy: 0.802392523046035
Energy: 1.5363645196936055
Energy: 0.8067863067409171
Energy: 1.2131427651262852
Energy: 0.806786306740216
Energy: 1.7853136270337269
Energy: 0.7996084681244608
Energy: 1.1893994154246545
Energy: 0.7996084681230587
Energy: 1.543355164639029
Energy: 0.8003605192193279
Energy: 1.1912261895095069
Energy: 0.8003605192242352
Energy: 1.3585434634700475
Energy: 0.8030158997172075
Energy: 1.4336690060298098
Energy: 0.8030158997179087
Energy: 1.5436242266395865
Energy: 0.8843198305456064
Energy: 1.2024956919270722
Energy: 0.8843198305449053
Energy: 1.3264092246766512
Energy: 0.8776988240747154
Energy: 1.430404724630076
Energy: 0.8776988240733131
Energy: 1.3239481502504529
Energy: 1.10477492204634
Energy: 1.6392225947164398
Energy: 1.10477492204634
Energy: 1.1923633542977083
Energy: 0.8046476874252035
Energy: 1.5312910931295545
Energy: 0.8046476874216983
Energy: 1.0474325929168358
Energy: 0.8001206066577826
Energy: 1.6391468230286388
Energy: 0.8001206066514734
Energy: 1.1923651653862746
Energy: 0.8030932462270256
Energy: 1.6427864717086904
Energy: 0.8030932462291286
Energy: 0.9230138318941921
Energy: 0.807436971554452
Energy: 1.4618794949168379
Energy: 0.8074369715565551
Energy: 0.9244821285433802
Energy: 0.8000668572852058
Energy: 1.8423462755770406
Energy: 0.8000668572852058
Energy: 0.9495996998185375
Energy: 0.8051844098241854
Energy: 1.645271802002371
Energy: 0.8051844098241854
Energy: 0.8016618203229915
Energy: 0.8080714808645307
Energy: 1.63634310721677
Energy: 0.8080714808638297
Energy: 0.8004388947395593
Energy: 0.8007717000695874
Energy: 1.8387206122298814
Energy: 0.8007717000695874
Energy: 0.8008785576285808
Energy: 0.8048456083501118
Energy: 1.5477242083346763
Energy: 0.8048456083529159
Energy: 0.9348868618877462
Energy: 0.806107181987159
Energy: 1.7519258237233428
Energy: 0.80610718198786
Energy: 0.9203659180022815
Energy: 0.8002157799573489
Energy: 1.7411969179962867
Energy: 0.8002157799552457
Energy: 0.920604314188005
Energy: 0.8064175186664472
Energy: 1.5365268297689052
Energy: 0.8064175186664472
Energy: 1.1967105585692848
Energy: 0.8025689737849324
Energy: 1.5393227638763265
Energy: 0.8025689737849324
Energy: 1.2060928913874058
Energy: 0.799680150104956
Energy: 1.6406808536318915
Energy: 0.799680150104956
Energy: 1.1925967792030214
Energy: 0.8036193755530455
Energy: 1.3603868633647325
Energy: 0.8036193755551485
Energy: 1.4341115800734157
Energy: 1.1028362389550772
Energy: 1.6420356937358749
Energy: 1.102836238954376
Energy: 1.2068169299170008
Energy: 0.8778678457528482
Energy: 1.4320478227008453
Energy: 0.8778678457563533
Energy: 1.4414735163147494
Energy: 0.8891268786919977
Energy: 1.3619056277923527
Energy: 0.8891268786877915
Energy: 1.4403763322111063
Energy: 0.8027386892984204
Energy: 1.434450473197161
Energy: 0.8027386892991214
Energy: 1.4341242616318244
Energy: 0.80070443797535
Energy: 1.1919009648348888
Energy: 0.8007044379739479
Energy: 1.649673930749992
Energy: 0.8004850206470274
Energy: 1.0473218173698353
Energy: 0.8004850206477285
Energy: 1.4606637067813766
Energy: 0.806358050941703
Energy: 1.2103589652092572
Energy: 0.8063580509388989
Energy: 1.6445035825260799
Energy: 0.80358161077253
Energy: 0.9321665326307298
Energy: 0.803581610773231
Energy: 1.7455104752198836
Energy: 0.8029989048589115
Energy: 0.9293697897680685
Energy: 0.8029989048582103
Energy: 1.879215526402836
Energy: 0.924864738596441
Energy: 0.8650673980403961
Energy: 0.9248647377590937
Energy: 1.8432410018471832
Energy: 0.8026720478698847
Energy: 0.8076684045551559
Energy: 0.8026720478698847
Energy: 1.7422455118625841
Energy: 0.8031862084885192
Energy: 0.8099154942909272
Energy: 0.8031862084878181

minimum gb energy = 0.7996084681230587 eV
minimum distance =  2.23587849319139 Angstroms
sigma value = 85


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

Energy: 1.802404424099674
Energy: 0.82601391027914
Energy: 0.7296399736305331
Energy: 0.7279149537750839
Energy: 1.7492612552040956
Energy: 0.7293588960552435
Energy: 0.8323492180370612
Energy: 0.7293588960552435
Energy: 1.5727149276508712
Energy: 0.7287008466262037
Energy: 0.8320947702996376
Energy: 0.7287008466262037
Energy: 1.382890126313407
Energy: 0.7273465842034605
Energy: 1.0760120597507767
Energy: 0.7273465842034605
Energy: 1.7832770531179973
Energy: 0.7271173814985178
Energy: 1.073220398482689
Energy: 0.7271173814979098
Energy: 1.3863134637322343
Energy: 0.7278141236387474
Energy: 1.0727170177145338
Energy: 0.7278141236387474
Energy: 1.3846870959747781
Energy: 0.7282286895370025
Energy: 1.2898288000274347
Energy: 0.7282286895333544
Energy: 1.5822698662179284
Energy: 0.7271498401837482
Energy: 1.074213192999041
Energy: 0.7271498401855723
Energy: 1.3861357847604352
Energy: 0.7285868723869643
Energy: 1.2905265285403116
Energy: 0.7285868723924362
Energy: 1.3903052766920747
Energy: 0.859680926740317
Energy: 1.4816524568512026
Energy: 0.859680926739709
Energy: 1.290676857944685
Energy: 1.0348621608461386
Energy: 1.3561134602714044
Energy: 1.0348621608461386
Energy: 1.2179182703701623
Energy: 0.7273975868092603
Energy: 1.4817787375082099
Energy: 0.7273975868116922
Energy: 1.295358098260336
Energy: 0.7291890150523452
Energy: 1.4797719994836351
Energy: 0.7291890150523452
Energy: 1.0723480936324223
Energy: 0.7293574538159993
Energy: 1.3007725592139456
Energy: 0.7293574538153913
Energy: 0.9367408881091042
Energy: 0.7271417286407512
Energy: 1.6612876675856214
Energy: 0.7271417286383193
Energy: 1.071120392898653
Energy: 0.7302399130499286
Energy: 1.4771476283204852
Energy: 0.7302399130493207
Energy: 0.8326066760703132
Energy: 0.7273842289074463
Energy: 1.4771522698814665
Energy: 0.7273842289074463
Energy: 0.8321313347792125
Energy: 0.727505961622454
Energy: 1.8386793061431281
Energy: 0.727505961622454
Energy: 0.8440369896157799
Energy: 0.7279312823885866
Energy: 1.6570991783746374
Energy: 0.7279312823885866
Energy: 0.7282393742262122
Energy: 0.7279199052985357
Energy: 1.6564938559426061
Energy: 0.7279199052985357
Energy: 0.7288241972732838
Energy: 0.728023826282189
Energy: 1.8402016586009287
Energy: 0.728023826282189
Energy: 0.7281695818052707
Energy: 0.7278177776115715
Energy: 1.5697970412326496
Energy: 0.7278177776115715
Energy: 0.8320853904927246
Energy: 0.7316543088171988
Energy: 1.742960199446693
Energy: 0.7316543088178067
Energy: 0.8354952448708196
Energy: 0.7274139384066316
Energy: 1.755365936858153
Energy: 0.7274139384066316
Energy: 0.8337371921700002
Energy: 0.7273872977383667
Energy: 1.4993178614554636
Energy: 0.7273872977389749
Energy: 1.073013406830386
Energy: 0.7279953693454994
Energy: 1.746073687137227
Energy: 0.7279953693466877
Energy: 1.071916905814346
Energy: 0.7272531376470851
Energy: 1.5734033127696823
Energy: 0.7272531376464771
Energy: 1.2902724643692158
Energy: 0.7286735775483878
Energy: 1.502384218628096
Energy: 0.7286735775483878
Energy: 1.2900531187093367
Energy: 0.7270993607170382
Energy: 1.5858967871647374
Energy: 0.7270993607170382
Energy: 1.2945872667883465
Energy: 0.7286792299675988
Energy: 1.3885305383359205
Energy: 0.7286792299688147
Energy: 1.4841475225447078
Energy: 0.8597244291134496
Energy: 1.2144098645003174
Energy: 0.8597244291134496
Energy: 1.288245964221637
Energy: 0.8591085771077575
Energy: 1.5647735909513873
Energy: 0.8591085771059335
Energy: 1.4870867324709476
Energy: 0.7290930427767032
Energy: 1.19091716631828
Energy: 0.7290930427767032
Energy: 1.6627343826665264
Energy: 0.7289201810648761
Energy: 1.1920542294809064
Energy: 0.7289201810648761
Energy: 1.3536576105261502
Energy: 0.7311112227482227
Energy: 1.224765598206229
Energy: 0.7311112227482227
Energy: 1.665557872509873
Energy: 0.7272407848877958
Energy: 1.0714568055035072
Energy: 0.7272407848877958
Energy: 1.6622683742587367
Energy: 0.7285127405569579
Energy: 1.0726101956405687
Energy: 0.7285127405557418
Energy: 1.4786516335063888
Energy: 0.727392570500189
Energy: 0.8337561202306041
Energy: 0.7273925705020131
Energy: 1.8437166725892289
Energy: 0.7273529656784007
Energy: 0.8342712010798619
Energy: 0.7273529656784007
Energy: 1.6563672656701323
Energy: 0.7280128650820185
Energy: 0.8441303927003565
Energy: 0.7280128650826264
Energy: 1.4751828760510965
Energy: 0.7280579108595875
Energy: 0.7282976746947744
Energy: 0.7280579108595875
Energy: 1.7512908767671262
Energy: 0.7281863238649484
Energy: 0.7280233199627493
Energy: 0.7281863238655564
Energy: 1.5684675054758506
Energy: 0.7280585040667437
Energy: 0.7280572064480745
Energy: 0.7280585040667437

minimum gb energy = 0.7270993607170382 eV
minimum distance =  2.23451214724738 Angstroms
sigma value = 113


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

Energy: 0.020466031026772403
Energy: 0.021241977840051152
Energy: 1.3837647406044402
Energy: 0.7096679397705791
Energy: 0.022642709844906062
Energy: 0.17663430095544064
Energy: 0.8508632004280172
Energy: 0.17663430095585614
Energy: 0.021231823426705907
Energy: 0.17403331384078213
Energy: 0.8486293418589723
Energy: 0.17403331384124954
Energy: 0.023075655537411636
Energy: 0.17442737226730762
Energy: 0.8462735939967779
Energy: 0.17442737226684024
Energy: 0.8505347127361083
Energy: 0.17400656486662278
Energy: 0.8500985246568623
Energy: 0.17400656486750565
Energy: 0.021036129632871943
Energy: 0.17364015785208564
Energy: 0.8487302904373866
Energy: 0.17364015785208564

minimum gb energy = 0.020466031026772403 eV
minimum distance =  2.45811026170937 Angstroms
sigma value = 1