Model name: model_name=SNAP_ZuoChenLi_2019_Ni__MO_365106510449_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=3.521521747112274
cohesive_energy=2.8873704626537773
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: -2.89356288719753 eV

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

Energy: 0.01178747586064523
Energy: 0.01248909858605858
Energy: 0.012421635675715513
Energy: 0.01248909858605858
Energy: 0.01248909858605858
Energy: 1.045547093011503
Energy: 0.01248909858605858
Energy: 1.045547093011503
Energy: 0.012421635675715513
Energy: 0.01248909858605858
Energy: 0.01178747586064523
Energy: 0.01248909858605858
Energy: 0.01248909858605858
Energy: 1.045547093011503
Energy: 0.01248909858605858
Energy: 1.045547093011503

minimum gb energy = 0.01178747586064523 eV
minimum distance =  2.39132044980469 Angstroms
sigma value = 1


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

Energy: 1.3938592585747882
Energy: 1.3818078768856144
Energy: 1.3115045398196288
Energy: 1.3818078768856144
Energy: 1.3055378290612927
Energy: 1.377238192862985
Energy: 1.314837829123624
Energy: 1.377238192862985
Energy: 1.2660539550522294
Energy: 1.356441296407782
Energy: 1.2811491287051486
Energy: 1.356441296407782
Energy: 1.2659700771814677
Energy: 1.405259153828718
Energy: 1.2620911299460593
Energy: 1.4052591538319246
Energy: 1.2697529909390608
Energy: 1.385261368995258
Energy: 1.2816841959902496
Energy: 1.385261368995258
Energy: 1.263810785293132
Energy: 1.3481099521575182
Energy: 1.221857057066635
Energy: 1.3481099521575182
Energy: 1.3101770152628214
Energy: 1.356944013011769
Energy: 1.2658503925493458
Energy: 1.356944013011769
Energy: 1.2234182790084491
Energy: 1.383115168587288
Energy: 1.2168325236546071
Energy: 1.383115168587288
Energy: 1.2634466974657523
Energy: 1.2857962140807349
Energy: 1.318411537045977
Energy: 1.2857962140807349
Energy: 1.2187185061377792
Energy: 1.3562121735602215
Energy: 1.2121280870872724
Energy: 1.3562121735602215
Energy: 1.335484751063106
Energy: 1.359985270073974
Energy: 1.2633615548834636
Energy: 1.359985270073974
Energy: 1.3141809462578196
Energy: 1.383224204649975
Energy: 1.239200378278662
Energy: 1.383224204649975
Energy: 1.3119284602725305
Energy: 1.3572433980543748
Energy: 1.3096529930893748
Energy: 1.3572433980543748
Energy: 1.2887298825611646
Energy: 1.3717673980691476
Energy: 1.2507675421897009
Energy: 1.3717673980691476
Energy: 1.2978517967894034
Energy: 1.381537589691983
Energy: 1.2799570871322947
Energy: 1.381537589691983
Energy: 1.285470441572022
Energy: 1.3822371900848947
Energy: 1.30510991425662
Energy: 1.3822371900848947
Energy: 1.2815729239672833
Energy: 1.3565026101242088
Energy: 1.2481415422288067
Energy: 1.3565026101242088
Energy: 1.3156881367503395
Energy: 1.3349675903249067
Energy: 1.3075201000103807
Energy: 1.3349675903249067
Energy: 1.2168417020951747
Energy: 1.3827844722132991
Energy: 1.2402611286855116
Energy: 1.3827844722132991
Energy: 1.3376775597381385
Energy: 1.2855680147242716
Energy: 1.2673711553593534
Energy: 1.2855680147242716
Energy: 1.2200577524690348
Energy: 1.356329901158328
Energy: 1.2140245736803308
Energy: 1.356329901158328
Energy: 1.2621178043631216
Energy: 1.410382264515473
Energy: 1.2871026402111545
Energy: 1.4103822645130684
Energy: 1.2839001588608696
Energy: 1.3841390958743036
Energy: 1.2457332904656626
Energy: 1.3841390958743036
Energy: 1.263469894921008
Energy: 1.3567725844880152
Energy: 1.2638661569436274
Energy: 1.3567725844880152
Energy: 1.2660377136297005
Energy: 1.3460005390001204
Energy: 1.3096022470773372
Energy: 1.3460005390001204
Energy: 1.2737296689895738
Energy: 1.3836739406139378
Energy: 1.2707842028448797
Energy: 1.3836739406139378
Energy: 1.2985200866845215
Energy: 1.367394507363316
Energy: 1.2630145534468615
Energy: 1.367394507363316
Energy: 1.2658116229339271
Energy: 1.3557431076275777
Energy: 1.2816133236813871
Energy: 1.3557431076275777
Energy: 1.304462315465741
Energy: 1.3539661894683486
Energy: 1.3078581969395608
Energy: 1.3539661894683486
Energy: 1.3087104372354583
Energy: 1.3820607873622746
Energy: 1.3175670407971745
Energy: 1.3820607873622746
Energy: 1.3096385613754167
Energy: 1.3771355314193017
Energy: 1.311526225478287
Energy: 1.3771355314201033
Energy: 1.2677591506036092
Energy: 1.3576862044676457
Energy: 1.2880224619189724
Energy: 1.3576862044676457
Energy: 1.2696845734329845
Energy: 1.4030144720454418
Energy: 1.2641583184381375
Energy: 1.4030144720454418

minimum gb energy = 1.2121280870872724 eV
minimum distance =  2.2095404613634 Angstroms
sigma value = 1


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

Energy: 1.4751093296903177
Energy: 1.4731332857885084
Energy: 1.3747531365549133
Energy: 1.4731332857885084
Energy: 1.3310767632273754
Energy: 1.44813872433092
Energy: 1.3572999155608965
Energy: 1.4481387243300063
Energy: 1.3178262201287851
Energy: 1.4732145475125897
Energy: 1.3251289689137953
Energy: 1.4732145475125897
Energy: 1.2875530840200164
Energy: 1.3163600199652135
Energy: 1.3049133832698574
Energy: 1.3163600199652135
Energy: 1.2873098631864333
Energy: 1.4337530062969674
Energy: 1.330649970061338
Energy: 1.4337530062969674
Energy: 1.4016961799785919
Energy: 1.4333799514466372
Energy: 1.3310013526117106
Energy: 1.4333799514466372
Energy: 1.3303672127199617
Energy: 1.3124213514194965
Energy: 1.3108698954995588
Energy: 1.3124213514158403
Energy: 1.2556911131527613
Energy: 1.4725180566094946
Energy: 1.2747719775568098
Energy: 1.4725180566094946
Energy: 1.2890190800536174
Energy: 1.3525499000642496
Energy: 1.3903617498038454
Energy: 1.3525499000642496
Energy: 1.2793200008891794
Energy: 1.472811265421704
Energy: 1.3685626235647177
Energy: 1.472811265421704
Energy: 1.3302546449433432
Energy: 1.3939312990846477
Energy: 1.3586761537392809
Energy: 1.3939312990846477
Energy: 1.2727300497957683
Energy: 1.4522407074915684
Energy: 1.324938850525686
Energy: 1.4522407074915684
Energy: 1.3536389664511277
Energy: 1.4325196044150434
Energy: 1.3293398722861656
Energy: 1.4325196044150434
Energy: 1.3539238792831945
Energy: 1.432527620296853
Energy: 1.3277283098460857
Energy: 1.432527620296853
Energy: 1.2725154171447812
Energy: 1.4521418150026038
Energy: 1.3308493922816405
Energy: 1.4521418150026038
Energy: 1.3302773081555532
Energy: 1.3926265280847436
Energy: 1.3572578144369487
Energy: 1.3926265280847436
Energy: 1.2790094255173168
Energy: 1.4726787371157908
Energy: 1.2675457208979202
Energy: 1.4726787371157908
Energy: 1.2892184113606906
Energy: 1.352526301988376
Energy: 1.3903964611402662
Energy: 1.352526301988376
Energy: 1.2556794446113788
Energy: 1.4724019037271858
Energy: 1.2694671659888297
Energy: 1.4724019037271858
Energy: 1.3303085112255282
Energy: 1.3185791729525194
Energy: 1.3046967317780493
Energy: 1.3185791729525194
Energy: 1.4004679504552568
Energy: 1.4334659866622015
Energy: 1.2769554147421662
Energy: 1.4334659866622015
Energy: 1.2873098717099236
Energy: 1.4333656010678735
Energy: 1.3412253178884137
Energy: 1.4333656010678735
Energy: 1.2874773149356376
Energy: 1.3164409729592144
Energy: 1.3023059397399848
Energy: 1.3164409729592144
Energy: 1.3176073229955514
Energy: 1.4735035595809725
Energy: 1.3240926300950164
Energy: 1.4735035595809725
Energy: 1.3309521292847173
Energy: 1.4480260738865522
Energy: 1.3568987152521945
Energy: 1.4480260738865522
Energy: 1.4751093296903177
Energy: 1.4731332857885084
Energy: 1.3775591335130264
Energy: 1.4731332857885084
Energy: 1.3310767632273754
Energy: 1.44813872433092
Energy: 1.3572999155608965
Energy: 1.44813872433092
Energy: 1.3178262201287851
Energy: 1.4732145475125897
Energy: 1.3251289689137953
Energy: 1.4732145475125897
Energy: 1.2875530840200164
Energy: 1.3163600199652135
Energy: 1.3049133832698574
Energy: 1.3163600199652135

minimum gb energy = 1.2556794446113788 eV
minimum distance =  2.17088615081508 Angstroms
sigma value = 25


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

Energy: 1.479324004816072
Energy: 1.535295989261071
Energy: 1.4971045230878182
Energy: 1.535295989261071
Energy: 1.4330139266027622
Energy: 1.4921491614540439
Energy: 1.3838319747050922
Energy: 1.4921491614540439
Energy: 1.3745898248434318
Energy: 1.5800436820760482
Energy: 1.384393141723328
Energy: 1.5800436820760482
Energy: 1.3655792142301817
Energy: 1.4906799953823802
Energy: 1.3710314703168265
Energy: 1.4906799953823802
Energy: 1.3807420696673407
Energy: 1.5386055651959878
Energy: 1.3934905532754256
Energy: 1.5386055651959878
Energy: 1.4767000932639742
Energy: 1.5788614893603297
Energy: 1.3903569550781925
Energy: 1.5788614893603297
Energy: 1.412630761929494
Energy: 1.3874399542560722
Energy: 1.3917822801706154
Energy: 1.3874399542560722
Energy: 1.5204202022376152
Energy: 1.5236693709598832
Energy: 1.3498425684659847
Energy: 1.5236693709598832
Energy: 1.3937724879343762
Energy: 1.4736210494834405
Energy: 1.4134668642836892
Energy: 1.4736210494845032
Energy: 1.3821248954930185
Energy: 1.5784034869351156
Energy: 1.4049695342760384
Energy: 1.5784034869351156
Energy: 1.3963826802130737
Energy: 1.5386099624123748
Energy: 1.3480239434035184
Energy: 1.5386099624123748
Energy: 1.4021390147794182
Energy: 1.5331641216547534
Energy: 1.3479231132081804
Energy: 1.5331641216547534
Energy: 1.3816803387965784
Energy: 1.5589176494857515
Energy: 1.3586025783740638
Energy: 1.5589176494857515
Energy: 1.4300638215906178
Energy: 1.3478599282947754
Energy: 1.412461791145123
Energy: 1.3478599282947754
Energy: 1.3198522741086383
Energy: 1.5184133308027778
Energy: 1.3486761588651572
Energy: 1.5184133308038406
Energy: 1.379504700411707
Energy: 1.385919537542188
Energy: 1.3800380960111152
Energy: 1.385919537542188
Energy: 1.3164942138792208
Energy: 1.5797022156101417
Energy: 1.3131378637175664
Energy: 1.5797022156101417
Energy: 1.344843907036515
Energy: 1.4636736625709879
Energy: 1.363742718511016
Energy: 1.4636736625709879
Energy: 1.3411449486849312
Energy: 1.5420644290460368
Energy: 1.346568994407234
Energy: 1.5420644290460368
Energy: 1.4212544801208473
Energy: 1.5791893614339643
Energy: 1.3831355750118317
Energy: 1.5791893614329022
Energy: 1.3863384106763628
Energy: 1.4488090042185486
Energy: 1.381263761825873
Energy: 1.4488090042185486
Energy: 1.4282162344816471
Energy: 1.5356353207557747
Energy: 1.5161694899447609
Energy: 1.5356353207557747
Energy: 1.4328908045291897
Energy: 1.5015285951626511
Energy: 1.3823080760089976
Energy: 1.5015285951626511
Energy: 1.3737635489568503
Energy: 1.5832610323496021
Energy: 1.3825887829280394
Energy: 1.5832610323496021
Energy: 1.3482868757301787
Energy: 1.4784145799577486
Energy: 1.372510693846868
Energy: 1.4784145799577486

minimum gb energy = 1.3131378637175664 eV
minimum distance =  2.17363759613028 Angstroms
sigma value = 9


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

Energy: 1.566410456169266
Energy: 1.587284377784154
Energy: 1.5682825415120458
Energy: 1.587284377784154
Energy: 1.4901166888767439
Energy: 1.5307359058682288
Energy: 1.4069166618608864
Energy: 1.5307359058682288
Energy: 1.4387384852954381
Energy: 1.4268382140057714
Energy: 1.4149336062294842
Energy: 1.4268382140057714
Energy: 1.4163515873074162
Energy: 1.5868753051105502
Energy: 1.3900787126243574
Energy: 1.5868753051105502
Energy: 1.4933863724171366
Energy: 1.5267471407978437
Energy: 1.3852860068378192
Energy: 1.5267471407978437
Energy: 1.3638406754681098
Energy: 1.4262206020766088
Energy: 1.434085116765099
Energy: 1.4262206020766088
Energy: 1.4137257087935267
Energy: 1.389443536058814
Energy: 1.3902523418289454
Energy: 1.389443536058814
Energy: 1.4142418434835287
Energy: 1.425509775371963
Energy: 1.419973754707178
Energy: 1.425509775371963
Energy: 1.4150014174311487
Energy: 1.527637511000612
Energy: 1.4837088406820702
Energy: 1.5276375110018794
Energy: 1.4141667313029243
Energy: 1.5754832588075702
Energy: 1.3896027679496432
Energy: 1.5754832588075702
Energy: 1.412575273730531
Energy: 1.5495098659640878
Energy: 1.4154916115617946
Energy: 1.5495098659640878
Energy: 1.4169382379747926
Energy: 1.4140710725601813
Energy: 1.4370810310504383
Energy: 1.4140710725601813
Energy: 1.3612926750304308
Energy: 1.451872112101228
Energy: 1.3255945905606101
Energy: 1.451872112101228
Energy: 1.4835351795037648
Energy: 1.4097421107503165
Energy: 1.3958709457996623
Energy: 1.4097421107503165
Energy: 1.3611500681813986
Energy: 1.4518259960242144
Energy: 1.4148422165824126
Energy: 1.4518259960229467
Energy: 1.4181681511536774
Energy: 1.415778400166558
Energy: 1.390419748599132
Energy: 1.415778400166558
Energy: 1.4776439870465394
Energy: 1.5337685186571814
Energy: 1.439744267307328
Energy: 1.5337685186571814
Energy: 1.4423648727336154
Energy: 1.4448782306611456
Energy: 1.4389418172142214
Energy: 1.4448782306611456
Energy: 1.445731228060033
Energy: 1.532405962422295
Energy: 1.4074895649885484
Energy: 1.5324059624210276
Energy: 1.4840759571413635
Energy: 1.425723174892658
Energy: 1.420141642777233
Energy: 1.425723174892658
Energy: 1.4137873036194895
Energy: 1.4386581106430623
Energy: 1.438663174448987
Energy: 1.4386581106430623

minimum gb energy = 1.3255945905606101 eV
minimum distance =  2.23331422999949 Angstroms
sigma value = 25


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

Energy: 1.3992334721715307
Energy: 1.6314479095897692
Energy: 1.6026596926724184
Energy: 1.6314479095897692
Energy: 1.361117436021334
Energy: 1.402275810907178
Energy: 1.3326263870050996
Energy: 1.4022758109056104
Energy: 1.3327713717834175
Energy: 1.5042348537244266
Energy: 1.3319474353868295
Energy: 1.5042348537244266
Energy: 1.3978576914458962
Energy: 1.4533928981215076
Energy: 1.5551387486751445
Energy: 1.4533928981199402
Energy: 1.5494790427927652
Energy: 1.3620393421387005
Energy: 1.4061342715066367
Energy: 1.3620393421387005
Energy: 1.3386620867776233
Energy: 1.7024130753002154
Energy: 1.3353121864082147
Energy: 1.7024130753017825
Energy: 1.4049552707393236
Energy: 1.354755824577743
Energy: 1.3334235760957824
Energy: 1.3547558470839063
Energy: 1.532115213457684
Energy: 1.6334076943216382
Energy: 1.3984656489588614
Energy: 1.6334076943216382
Energy: 1.3319076214833934
Energy: 1.4045068774168772
Energy: 1.3639028133694315
Energy: 1.4045068774701344
Energy: 1.6265300590493053
Energy: 1.420234747032532
Energy: 1.3335093642781404
Energy: 1.4202347624319902
Energy: 1.3737408539372293
Energy: 1.6223424226651646
Energy: 1.744958649658358
Energy: 1.6223424226651646
Energy: 1.3333365931542596
Energy: 1.4180449337296182
Energy: 1.6221426505376004
Energy: 1.4180449337296182
Energy: 1.5264841842281354
Energy: 1.4718813133852022
Energy: 1.3322524383208918
Energy: 1.4718813133852022
Energy: 1.3323402649173575
Energy: 1.3348146928547477
Energy: 1.3977819851174333
Energy: 1.3348146928563152
Energy: 1.4097399329648732
Energy: 1.6242836859241767
Energy: 1.5314571826964156
Energy: 1.6242836859241767
Energy: 1.3602154866442833
Energy: 1.504946322260998
Energy: 1.3386604867662693
Energy: 1.504946322260998
Energy: 1.3329922402980963
Energy: 1.4841859811996487
Energy: 1.6225255555240083
Energy: 1.4841859811996487

minimum gb energy = 1.3319076214833934 eV
minimum distance =  2.25487073977201 Angstroms
sigma value = 17


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

Energy: 1.5080214751693197
Energy: 1.5091171886636714
Energy: 1.741223665496666
Energy: 1.5091171886663342
Energy: 1.56105688706505
Energy: 1.469823295141595
Energy: 1.3643389568365643
Energy: 1.469823295141595
Energy: 1.5485420362705737
Energy: 1.5146638416771334
Energy: 1.3627199354253667
Energy: 1.5146638416771334
Energy: 1.3654287597893608
Energy: 1.5368334902059368
Energy: 1.4844983699050054
Energy: 1.5368334902059368
Energy: 1.6081052766518136
Energy: 1.4808699708139836
Energy: 1.4099082529059874
Energy: 1.4808699708139836
Energy: 1.3945589404364866
Energy: 1.4393626274640394
Energy: 1.5332731546722616
Energy: 1.439362627464927
Energy: 1.3700757126271823
Energy: 1.527649997527878
Energy: 1.3632057205240597
Energy: 1.5276499975269902
Energy: 1.5351908584719272
Energy: 1.4406391539980794
Energy: 1.389293930096516
Energy: 1.4406391539980794
Energy: 1.4005792188202066
Energy: 1.6086218371569503
Energy: 1.603220726692251
Energy: 1.6086218371533991
Energy: 1.7160143058875683
Energy: 1.494596106580467
Energy: 1.3635476582979449
Energy: 1.494596106580467
Energy: 1.3690545597431554
Energy: 1.5370375188145138
Energy: 1.5527051956750095
Energy: 1.5370375188136265
Energy: 1.3906235971009755
Energy: 1.5231264147144234
Energy: 1.3904581007499188
Energy: 1.5231264147153114
Energy: 1.5504125372607043
Energy: 1.505215671115467
Energy: 1.502417989614318
Energy: 1.505215671115467
Energy: 1.362709986117531
Energy: 1.6593665190193687
Energy: 1.5631708982966135
Energy: 1.6593665190193687
Energy: 1.513795606443137
Energy: 1.530163224369535
Energy: 1.3942340050207913
Energy: 1.530163224369535
Energy: 1.5472658237022643
Energy: 1.5368219287815854
Energy: 1.5337068563688077
Energy: 1.5368219287815854
Energy: 1.3636438297653075
Energy: 1.5637532290145328
Energy: 1.5771301585063013
Energy: 1.5637532290145328
Energy: 1.5339368504015516
Energy: 1.4872928381039696
Energy: 1.3945451849471115
Energy: 1.4872928381039696
Energy: 1.3633089399112857
Energy: 1.5727690524436861
Energy: 1.4729370957854242
Energy: 1.5727690524436861
Energy: 1.3634265997733253
Energy: 1.536951260725411
Energy: 1.3660426186071006
Energy: 1.536951260725411
Energy: 1.4482440184928238
Energy: 1.5165918099633122
Energy: 1.5472079246756505
Energy: 1.5165918099633122
Energy: 1.364914388236955
Energy: 1.6507988688712425
Energy: 1.72414194317726
Energy: 1.6507988688712425
Energy: 1.5745872378136356
Energy: 1.538511785023846
Energy: 1.3627480572189843
Energy: 1.538511785023846
Energy: 1.3899478203611624
Energy: 1.526169269221236
Energy: 1.546245206988653
Energy: 1.526169269221236
Energy: 1.3897701043441795
Energy: 1.5142223644730077
Energy: 1.5443040476768122
Energy: 1.5142223644730077
Energy: 1.5858573834434235
Energy: 1.5376892584531303
Energy: 1.364742621638774
Energy: 1.5376892584531303
Energy: 1.4095664810902295
Energy: 1.6027398425193315
Energy: 1.7683891648767975
Energy: 1.6027398428130453
Energy: 1.5327399311712149
Energy: 1.4391000613782814
Energy: 1.5492226311593151
Energy: 1.439100061379169
Energy: 1.6952130819874047
Energy: 1.5181751934476773
Energy: 1.3684524519152064
Energy: 1.5181751934476773
Energy: 1.3890959836088992
Energy: 1.571617670297991
Energy: 1.5335002956398516
Energy: 1.571617670297991

minimum gb energy = 1.362709986117531 eV
minimum distance =  2.15932237096235 Angstroms
sigma value = 53


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

Energy: 1.2683187674904504
Energy: 1.2681417835961875
Energy: 1.6587199321860482
Energy: 1.2681417835961875
Energy: 1.5681175989743816
Energy: 1.391487839959948
Energy: 1.2968231331165045
Energy: 1.391487839959948
Energy: 1.2695228650156494
Energy: 1.2687725543961133
Energy: 1.508591380527893
Energy: 1.2687725543961133
Energy: 1.2694781449400778
Energy: 1.267791609958486
Energy: 1.4454565654725755
Energy: 1.267791609958486
Energy: 1.5690338595137112
Energy: 1.391325796716833
Energy: 1.31205084550989
Energy: 1.391325796716833
Energy: 1.2683187674904504
Energy: 1.2681417835961875
Energy: 1.7509138051473263
Energy: 1.2681417835961875
Energy: 1.5681175989743816
Energy: 1.391487839959948
Energy: 1.4456345033405837
Energy: 1.391487839959948
Energy: 1.2695228650156494
Energy: 1.2687725543961133
Energy: 1.508591380527893
Energy: 1.2687725543961133
Energy: 1.2694781449400778
Energy: 1.267791609958486
Energy: 1.535601542281106
Energy: 1.267791609958486
Energy: 1.5690338595116677
Energy: 1.391325796716833
Energy: 1.4642241150201822
Energy: 1.391325796716833
Energy: 1.2683187674904504
Energy: 1.2681417835961875
Energy: 1.7509138051473263
Energy: 1.2681417835961875
Energy: 1.5681175989743816
Energy: 1.391487839959948
Energy: 1.5083859765616747
Energy: 1.391487839959948
Energy: 1.2695228650156494
Energy: 1.2687725543961133
Energy: 1.508591380527893
Energy: 1.2687725543961133

minimum gb energy = 1.267791609958486 eV
minimum distance =  2.23679292875291 Angstroms
sigma value = 9


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

Energy: 1.4373875554103226
Energy: 1.7242360340499088
Energy: 1.8624219355540683
Energy: 1.7242360340491523
Energy: 1.6263598906031898
Energy: 1.492774717021237
Energy: 1.4246461277203752
Energy: 1.492774717021237
Energy: 1.387508946371083
Energy: 1.4118944631920145
Energy: 1.4114076006464524
Energy: 1.4118944631920145
Energy: 1.5510804318628213
Energy: 1.4842498915863738
Energy: 1.4004611089578831
Energy: 1.4842498915863738
Energy: 1.5776413934594617
Energy: 1.502290179471194
Energy: 1.41059260441904
Energy: 1.502290179471194
Energy: 1.4124150277836334
Energy: 1.410858759162921
Energy: 1.5622474184351116
Energy: 1.4108587591621644
Energy: 1.8444019579697208
Energy: 1.492248118987082
Energy: 1.4306241160598325
Energy: 1.492248118987082
Energy: 1.4039361173563685
Energy: 1.583066142629365
Energy: 1.5757339942007285
Energy: 1.583066142629365
Energy: 1.3911136129679198
Energy: 1.511227502608212
Energy: 1.4313258862799823
Energy: 1.5112275026074562
Energy: 1.3905286306475495
Energy: 1.4862500711417101
Energy: 1.4125417469290185
Energy: 1.4862500711417101
Energy: 1.4065184708369673
Energy: 1.5839527104173112
Energy: 1.8147573248690554
Energy: 1.5839527104173112
Energy: 1.6055893475239673
Energy: 1.7122657624179891
Energy: 1.3968167307560155
Energy: 1.7122657624179891
Energy: 1.3911260240643926
Energy: 1.5951527017569855
Energy: 1.7136321257812097
Energy: 1.5951527017569855
Energy: 1.5584838622955695
Energy: 1.7392828131211369
Energy: 1.4476190836256264
Energy: 1.7392828131211369
Energy: 1.4068511270676711
Energy: 1.598353087430104
Energy: 1.5671295934258584
Energy: 1.598353087430104
Energy: 1.3975173740862732
Energy: 1.5513534317180975
Energy: 1.5553431262019957
Energy: 1.5513534317180975
Energy: 1.5205791866599172
Energy: 1.4297824415379026
Energy: 1.4088342350965397
Energy: 1.4297824415379026
Energy: 1.4129473972996733
Energy: 1.4928426475806627
Energy: 1.6306477123572387
Energy: 1.4928426475799061
Energy: 1.6520784031025932
Energy: 1.5958479509936667
Energy: 1.4158432526184745
Energy: 1.5958479509936667
Energy: 1.3977623976851297
Energy: 1.5112233615441977
Energy: 1.5209730309014104
Energy: 1.5112233615449542
Energy: 1.5647199287915925
Energy: 1.4848383527939317
Energy: 1.5534507291247048
Energy: 1.4848383527931752
Energy: 1.5284039944729633
Energy: 1.4181660092100026
Energy: 1.3898984183621295
Energy: 1.4181660092100026
Energy: 1.4315935101419415
Energy: 1.5950224129315942
Energy: 1.3904490874469446
Energy: 1.5950224129315942
Energy: 1.833394055887731
Energy: 1.5789483746022899
Energy: 1.4027496817943073
Energy: 1.5789483746022899
Energy: 1.4320285698228654
Energy: 1.6630984667552218
Energy: 1.7393053624228
Energy: 1.6630984667552218
Energy: 1.466834449825939
Energy: 1.4127743031930708
Energy: 1.3877682161919247
Energy: 1.41277430319534
Energy: 1.5730802835503028
Energy: 1.5999982320633004
Energy: 1.5507643672433082
Energy: 1.5999982320633004
Energy: 1.4647101958059638
Energy: 1.578328026555472
Energy: 1.5510903595413446
Energy: 1.578328026555472
Energy: 1.4896700895847357
Energy: 1.4120755483619958
Energy: 1.386168868013013
Energy: 1.4120755483619958
Energy: 1.4243104597720295
Energy: 1.661779241607234
Energy: 1.7406684493545663
Energy: 1.661779241607234
Energy: 1.7382424454231056
Energy: 1.579982618219994
Energy: 1.4013468330725853
Energy: 1.579982618219994
Energy: 1.4403203763189403
Energy: 1.502925716502194
Energy: 1.3883593448867455
Energy: 1.502925716502194
Energy: 1.4273255183407707
Energy: 1.4213663109909123
Energy: 1.3877335170985712
Energy: 1.4213663109909123
Energy: 1.5504664203430523
Energy: 1.520276215911186
Energy: 1.550679417991221
Energy: 1.520276215911186
Energy: 1.410148325459214
Energy: 1.6681046024735042
Energy: 1.8381580331057834
Energy: 1.6681046024735042

minimum gb energy = 1.386168868013013 eV
minimum distance =  2.18648737171031 Angstroms
sigma value = 73


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

Energy: 1.5589287943061962
Energy: 1.5546381185823988
Energy: 1.8440325933412414
Energy: 1.5546381185823988
Energy: 1.54032383673197
Energy: 1.584663318807146
Energy: 1.4514414306510488
Energy: 1.584663318807146
Energy: 1.4292502167067813
Energy: 1.5098052772658939
Energy: 1.4463147547708866
Energy: 1.5098052772658939
Energy: 1.3979737339441216
Energy: 1.4530152049383582
Energy: 1.4658178465017535
Energy: 1.4530152049383582
Energy: 1.4904511704457228
Energy: 1.569860675457047
Energy: 1.446509104306565
Energy: 1.569860675455847
Energy: 1.4536896602266773
Energy: 1.43702173330198
Energy: 1.7058404625459422
Energy: 1.43702173330318
Energy: 1.8379710053553353
Energy: 1.6612147320181236
Energy: 1.4268522323927175
Energy: 1.6612147320181236
Energy: 1.4107882200268098
Energy: 1.4351713274252074
Energy: 1.7135432819740226
Energy: 1.4351713274252074
Energy: 1.7478185315372576
Energy: 1.4372499653672413
Energy: 1.4462878755041813
Energy: 1.4372499653672413
Energy: 1.4322089849062283
Energy: 1.541819363378189
Energy: 1.4324484183081712
Energy: 1.541819363378189
Energy: 1.4076521771303467
Energy: 1.4349755557909112
Energy: 1.673709226315828
Energy: 1.4349755557921116
Energy: 1.6200872597918472
Energy: 1.4536726896020933
Energy: 1.3984882994576728
Energy: 1.4536726896020933
Energy: 1.4500962101940877
Energy: 1.536571799989219
Energy: 1.6863481822482744
Energy: 1.536571799989219
Energy: 1.7490368499277376
Energy: 1.6235293371195227
Energy: 1.4543504554089304
Energy: 1.6235293371195227
Energy: 1.4122612373762669
Energy: 1.495140523816486
Energy: 1.6871008124606386
Energy: 1.495140523816486
Energy: 1.6798984392499232
Energy: 1.434728657176742
Energy: 1.4103918576864247
Energy: 1.4347286571755415
Energy: 1.543541456844161
Energy: 1.5740616966735999
Energy: 1.4294091331427288
Energy: 1.5740616966735999
Energy: 1.548248002935782
Energy: 1.5482185294495454
Energy: 1.4293530827414545
Energy: 1.5482185294483457
Energy: 1.4225340049437492
Energy: 1.4346949298532963
Energy: 1.4087834719031416
Energy: 1.4346949298532963
Energy: 1.4511079025759654
Energy: 1.6071635275274325
Energy: 1.775220632843896
Energy: 1.6071635275274325
Energy: 1.7793115392415444
Energy: 1.5104204917222215
Energy: 1.453322795859117
Energy: 1.5104204917222215
Energy: 1.4665236199866893
Energy: 1.5731070033154384
Energy: 1.5972772575932423
Energy: 1.5731070033154384

minimum gb energy = 1.3979737339441216 eV
minimum distance =  2.19967594079633 Angstroms
sigma value = 7


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

Energy: 1.478092197586169
Energy: 1.4794509873199622
Energy: 1.880927978286449
Energy: 1.4794509873199622
Energy: 1.6119142215240374
Energy: 1.6000366833016193
Energy: 1.4487192231749606
Energy: 1.6000366833016193
Energy: 1.4187983214466344
Energy: 1.4773732917304572
Energy: 1.4800201050762567
Energy: 1.4773732917304572
Energy: 1.4673570327536094
Energy: 1.5827694092587594
Energy: 1.4490387084696221
Energy: 1.5827694092596079
Energy: 1.423616195059791
Energy: 1.540193527957738
Energy: 1.452827748281207
Energy: 1.540193527957738
Energy: 1.4211260503888998
Energy: 1.4790079833382062
Energy: 1.7161286284506914
Energy: 1.4790079833382062
Energy: 1.6455164051552884
Energy: 1.632955928420744
Energy: 1.4576161764989284
Energy: 1.632955928420744
Energy: 1.420910586453049
Energy: 1.479771113648069
Energy: 1.8168572741848457
Energy: 1.4797711136472205
Energy: 1.636854962658835
Energy: 1.5538222801123165
Energy: 1.4432627026153817
Energy: 1.5538222801131651
Energy: 1.422976104321285
Energy: 1.5829035962172417
Energy: 1.5944955716191702
Energy: 1.5829035962172417
Energy: 1.4731650528201428
Energy: 1.6003160533838225
Energy: 1.4699884413463364
Energy: 1.6003160533838225
Energy: 1.489114152191
Energy: 1.540263679129165
Energy: 1.4660013398007397
Energy: 1.540263679129165
Energy: 1.4885682888676115
Energy: 1.4872227838858338
Energy: 1.4727247192685036
Energy: 1.4872227838866825
Energy: 1.478980654743051
Energy: 1.4601909464108707
Energy: 1.4660587952732282
Energy: 1.4601909464108707
Energy: 1.4218715413914114
Energy: 1.7165270620157038
Energy: 1.6435582047470003
Energy: 1.7165270620157038
Energy: 1.881026340178794
Energy: 1.4608357173163111
Energy: 1.4390785986486714
Energy: 1.4608357173163111
Energy: 1.4278282964057498
Energy: 1.5410702981979552
Energy: 1.616892016403564
Energy: 1.5410702981979552
Energy: 1.4534020096837297
Energy: 1.5310733465776245
Energy: 1.466709188561969
Energy: 1.5310733465776245
Energy: 1.428446497004777
Energy: 1.5986399139016838
Energy: 1.4699705206126967
Energy: 1.5986399139016838
Energy: 1.4222790642994212
Energy: 1.541155328326737
Energy: 1.4668748130915739
Energy: 1.541155328326737
Energy: 1.4670511423230488
Energy: 1.6014380388526048
Energy: 1.4427737160596494
Energy: 1.6014380388526048
Energy: 1.4222195817742673
Energy: 1.4780252437844026
Energy: 1.6158625191809677
Energy: 1.4780252437844026
Energy: 1.756246559714392
Energy: 1.554709891836402
Energy: 1.454318869643053
Energy: 1.5547098918355533
Energy: 1.4822733286246768
Energy: 1.480632143100812
Energy: 1.7148063841518997
Energy: 1.480632143100812
Energy: 1.484777322738366
Energy: 1.5420304395934898
Energy: 1.4527297711117866
Energy: 1.5420304395934898
Energy: 1.4665204879140257
Energy: 1.478061492604112
Energy: 1.474920719670402
Energy: 1.4780614926032634
Energy: 1.421191957303599
Energy: 1.580445315849992
Energy: 1.4872581532393472
Energy: 1.580445315849992
Energy: 1.4655429885135332
Energy: 1.5405911650195532
Energy: 1.44808696298098
Energy: 1.5405911650195532
Energy: 1.4163308929497245
Energy: 1.4787009356302832
Energy: 1.6517454559553346
Energy: 1.4787009356302832
Energy: 1.5637804247166454
Energy: 1.4837152089794092
Energy: 1.459277680473807
Energy: 1.4837152089794092
Energy: 1.4163059418371675
Energy: 1.4781881288513552
Energy: 1.692879830400595
Energy: 1.4781881288513552

minimum gb energy = 1.4163059418371675 eV
minimum distance =  2.18409893782944 Angstroms
sigma value = 29


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

Energy: 1.4075317958826847
Energy: 1.3851897882225834
Energy: 1.4658683332966194
Energy: 1.3851897882225834
Energy: 1.40669277407589
Energy: 1.4131955184832887
Energy: 1.4113769882953686
Energy: 1.4131955184861789
Energy: 1.3512404437064847
Energy: 1.4098793808666343
Energy: 1.4669651629919664
Energy: 1.4098793808666343
Energy: 1.408534262446195
Energy: 1.3449714123978946
Energy: 1.410970837514055
Energy: 1.3449714123978946
Energy: 1.4084076744340914
Energy: 1.343802479579748
Energy: 1.4654102414907695
Energy: 1.3438024795624068
Energy: 1.4119280013224023
Energy: 1.488229257015259
Energy: 1.4117103824469224
Energy: 1.488229257015259
Energy: 1.3533413343662497
Energy: 1.3445784919904034
Energy: 1.4079906916837248
Energy: 1.3445784919904034
Energy: 1.4114368613012334
Energy: 1.3452759548692956
Energy: 1.4086468792411186
Energy: 1.3452759548692956
Energy: 1.466829091986379
Energy: 1.409993703759666
Energy: 1.4657190854951119
Energy: 1.409993703759666

minimum gb energy = 1.3438024795624068 eV
minimum distance =  2.23613356497765 Angstroms
sigma value = 5


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

Energy: 1.4153297597176644
Energy: 1.4122814209334802
Energy: 1.7476600136708837
Energy: 1.4122814209334802
Energy: 1.3876797433286343
Energy: 1.4817787274609606
Energy: 1.3518528982041838
Energy: 1.481778727460159
Energy: 1.340320082657757
Energy: 1.4042915549245891
Energy: 1.6049592224911475
Energy: 1.4042915549245891
Energy: 1.3736371008229065
Energy: 1.4676682385186555
Energy: 1.3806195182396535
Energy: 1.4676682385186555
Energy: 1.3581298767478516
Energy: 1.482285601183349
Energy: 1.5931314419946125
Energy: 1.4822856011841505
Energy: 1.4057991496888855
Energy: 1.4214248022380618
Energy: 1.3589072341318045
Energy: 1.4214248022380618
Energy: 1.3623486886131102
Energy: 1.4909211339951864
Energy: 1.3484171177369169
Energy: 1.4909211339951864
Energy: 1.359672928049054
Energy: 1.4239457902177872
Energy: 1.3401890969240278
Energy: 1.4239457902177872
Energy: 1.3837805664537395
Energy: 1.5824630341686252
Energy: 1.3330613600608054
Energy: 1.5824630341686252
Energy: 1.3797045945129218
Energy: 1.476431137656846
Energy: 1.370360073811009
Energy: 1.4764311376576476
Energy: 1.3611194973261729
Energy: 1.423170759315576
Energy: 1.3369614310037707
Energy: 1.4231707593163774
Energy: 1.341410406165203
Energy: 1.4284661939178855
Energy: 1.5272753677137676
Energy: 1.4284661939178855
Energy: 1.4422377025975421
Energy: 1.4193402662262802
Energy: 1.4053229480551857
Energy: 1.4193402662262802
Energy: 1.3512118487892821
Energy: 1.4201739786261116
Energy: 1.465575216058572
Energy: 1.4201739786261116
Energy: 1.4981344304903506
Energy: 1.4724956481636573
Energy: 1.3431058840087595
Energy: 1.4724956481636573
Energy: 1.3765912966990297
Energy: 1.3899494275237894
Energy: 1.5316931795875295
Energy: 1.3899494275245912
Energy: 1.5842318569473306
Energy: 1.4840176305732797
Energy: 1.3663529717954583
Energy: 1.4840176305732797
Energy: 1.3647784287904123
Energy: 1.4207038911573764
Energy: 1.5406058008795585
Energy: 1.4207038911573764
Energy: 1.3689068385633394
Energy: 1.4922964102027543
Energy: 1.3514938987195035
Energy: 1.4922964102027543
Energy: 1.3420626356880039
Energy: 1.556615995917519
Energy: 1.3970269466903218
Energy: 1.556615995917519
Energy: 1.3464522575566926
Energy: 1.4208312052209104
Energy: 1.3838416318187157
Energy: 1.4208312052201089
Energy: 1.3650916138814617
Energy: 1.4757642632616035
Energy: 1.3691394928510339
Energy: 1.4757642632616035
Energy: 1.3468171816087429
Energy: 1.4218941571756467
Energy: 1.324995777234869
Energy: 1.4218941571764483
Energy: 1.5241079871614123
Energy: 1.4188972301701324
Energy: 1.3471567289160296
Energy: 1.4188972301701324
Energy: 1.529485958139977
Energy: 1.3884756677982435
Energy: 1.342983982447211
Energy: 1.3884756677982435
Energy: 1.3910558109444555
Energy: 1.4193910111550672
Energy: 1.353528114835049
Energy: 1.4193910111558687
Energy: 1.3474138559132722
Energy: 1.456011648828717
Energy: 1.4940795710057844
Energy: 1.456011648828717
Energy: 1.446067658707161
Energy: 1.4591550909727695
Energy: 1.3752985691390194
Energy: 1.459155090971968
Energy: 1.334959768211947
Energy: 1.4815808750576993
Energy: 1.5112536574419204
Energy: 1.4815808750576993
Energy: 1.6272068562046202
Energy: 1.4206095019606324
Energy: 1.3631542569832784
Energy: 1.4206095019606324
Energy: 1.3462160600901507
Energy: 1.397215648249528
Energy: 1.578127825427525
Energy: 1.397215648249528
Energy: 1.585744630528458
Energy: 1.4625692605174407
Energy: 1.3385942022646606
Energy: 1.4625692605174407
Energy: 1.3820029849586157
Energy: 1.5400957230973622
Energy: 1.3454696654053557
Energy: 1.5400957230989654

minimum gb energy = 1.324995777234869 eV
minimum distance =  2.15870484243506 Angstroms
sigma value = 1


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

Energy: 1.360771039262969
Energy: 1.3606310389535519
Energy: 1.5462912295699907
Energy: 1.3606310389535519
Energy: 1.3812792161212908
Energy: 1.3696457017688795
Energy: 1.2984897436778573
Energy: 1.3696457017688795
Energy: 1.257534145370012
Energy: 1.360784992079878
Energy: 1.7630609042829561
Energy: 1.360784992079878
Energy: 1.3557284015779125
Energy: 1.440623200807778
Energy: 1.2808730559438568
Energy: 1.440623200807778
Energy: 1.2580536335171317
Energy: 1.502382159133025
Energy: 1.5614636878346277
Energy: 1.5023821591341333
Energy: 1.258815838224035
Energy: 1.4196628814321022
Energy: 1.2815216743321947
Energy: 1.4196628814321022
Energy: 1.2582587660208533
Energy: 1.5001962360302659
Energy: 1.3027198726704428
Energy: 1.5001962360302659
Energy: 1.2590125944717239
Energy: 1.3646136020707889
Energy: 1.3190121320367365
Energy: 1.3646136020707889
Energy: 1.3594649415191413
Energy: 1.346986949824662
Energy: 1.3479449128662917
Energy: 1.346986949824662
Energy: 1.3598618831991094
Energy: 1.3472893683737872
Energy: 1.3401478165663792
Energy: 1.3472893683737872
Energy: 1.2601137713954609
Energy: 1.364229851335685
Energy: 1.370824304764961
Energy: 1.3642298513345763
Energy: 1.258317348177348
Energy: 1.500131105175317
Energy: 1.3022807924596491
Energy: 1.500131105175317
Energy: 1.260348163205371
Energy: 1.420353791756387
Energy: 1.2812503594806433
Energy: 1.420353791755279
Energy: 1.2581145595537115
Energy: 1.5026067157177694
Energy: 1.4043469970188387
Energy: 1.5026067157177694
Energy: 1.3557446308312118
Energy: 1.4408618526125423
Energy: 1.2813047090405336
Energy: 1.4408618526125423
Energy: 1.2575162610004658
Energy: 1.3606120067546554
Energy: 1.4450466188406421
Energy: 1.3606120067546554
Energy: 1.3812641830384023
Energy: 1.3695298866935806
Energy: 1.2981293329867705
Energy: 1.3695298866935806
Energy: 1.360771039262969
Energy: 1.3606310389535519
Energy: 1.5932929822670117
Energy: 1.3606310389535519
Energy: 1.3812792161212908
Energy: 1.3696457017688795
Energy: 1.2984897436778573
Energy: 1.3696457017688795
Energy: 1.257534145370012
Energy: 1.360784992079878
Energy: 1.7630609042829561
Energy: 1.360784992079878
Energy: 1.3557284015779125
Energy: 1.440623200807778
Energy: 1.2808730559438568
Energy: 1.440623200807778
Energy: 1.2580536335171317
Energy: 1.5023821591341333
Energy: 1.5614636878346277
Energy: 1.5023821591341333
Energy: 1.258815838225143
Energy: 1.4196628814321022
Energy: 1.2815216743321947
Energy: 1.4196628814321022
Energy: 1.2582587660197706
Energy: 1.5001962360302659
Energy: 1.3027198726704428
Energy: 1.5001962360302659

minimum gb energy = 1.2575162610004658 eV
minimum distance =  2.21868341831854 Angstroms
sigma value = 17


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

Energy: 1.343249886400517
Energy: 1.3426786017301329
Energy: 1.7022966991106594
Energy: 1.3426786017301329
Energy: 1.5280956938435122
Energy: 1.318059634023207
Energy: 1.2809076743213332
Energy: 1.318059634023207
Energy: 1.2771617218553948
Energy: 1.3227938688789458
Energy: 1.5878425876728124
Energy: 1.3227938688789458
Energy: 1.4136097335313962
Energy: 1.506946866628329
Energy: 1.2742424038893745
Energy: 1.506946866628329
Energy: 1.2647640389256638
Energy: 1.435036467824568
Energy: 1.334520616108467
Energy: 1.435036467824568
Energy: 1.2900486891443368
Energy: 1.7221654134647726
Energy: 1.2960905337393862
Energy: 1.7221654134647726
Energy: 1.2863438691775728
Energy: 1.4063127989546094
Energy: 1.3234243805225099
Energy: 1.4063127989546094
Energy: 1.2594635915864776
Energy: 1.3919537380356672
Energy: 1.2673576325021547
Energy: 1.3919537380356672
Energy: 1.3388438967627245
Energy: 1.5443208117410376
Energy: 1.337638705147939
Energy: 1.5443208117410376
Energy: 1.3435621215304276
Energy: 1.5433135749451488
Energy: 1.2820362993446521
Energy: 1.5433135749444633
Energy: 1.2758263728214447
Energy: 1.507627958667451
Energy: 1.2717458890658748
Energy: 1.5076279586667658
Energy: 1.282401901634019
Energy: 1.3907044914396154
Energy: 1.2555909802812084
Energy: 1.3907044914396154
Energy: 1.2582248477100886
Energy: 1.370482732604121
Energy: 1.28103880030778
Energy: 1.370482732604121
Energy: 1.2811866004990873
Energy: 1.4317970539457767
Energy: 1.3419709948960314
Energy: 1.4317970539457767
Energy: 1.2743643508826243
Energy: 1.5173151359562087
Energy: 1.355194807305106
Energy: 1.5173151359562087
Energy: 1.275331002238069
Energy: 1.3245134942871648
Energy: 1.5839650144738298
Energy: 1.3245134942871648
Energy: 1.3191442506465962
Energy: 1.5168814716778007
Energy: 1.2797381108916797
Energy: 1.5168814716778007
Energy: 1.2680860249925663
Energy: 1.3437778432932133
Energy: 1.526088314726935
Energy: 1.3437778432932133
Energy: 1.473509866106189
Energy: 1.5827864549564294
Energy: 1.2819297564289722
Energy: 1.5827864549543744
Energy: 1.289775994774382
Energy: 1.322915157900588
Energy: 1.3688220980785033
Energy: 1.322915157900588
Energy: 1.498137583419008
Energy: 1.3039383337812265
Energy: 1.2928199578219783
Energy: 1.3039383337812265
Energy: 1.2932744667316607
Energy: 1.3451469104675124
Energy: 1.483560549090021
Energy: 1.3451469104675124
Energy: 1.4308207911192241
Energy: 1.5287398902938214
Energy: 1.2923933312137768
Energy: 1.5287398902938214
Energy: 1.2819808549918137
Energy: 1.4101173469109323
Energy: 1.534998302197662
Energy: 1.4101173469109323
Energy: 1.3187163633987136
Energy: 1.3443586411875743
Energy: 1.270588934960008
Energy: 1.3443586411875743
Energy: 1.2831506020296475
Energy: 1.4354175896608894
Energy: 1.3186004323458034
Energy: 1.4354175896608894
Energy: 1.4645427804110736
Energy: 1.367383944775717
Energy: 1.2790045211780292
Energy: 1.3673839447750318
Energy: 1.3619379920934689
Energy: 1.5168819211464515
Energy: 1.274961288839245
Energy: 1.5168819211464515
Energy: 1.3424094254097383
Energy: 1.4313714776725406
Energy: 1.2882711148567905
Energy: 1.4313714776732256
Energy: 1.2882771637948862
Energy: 1.3650972099615881
Energy: 1.3625244465902808
Energy: 1.3650972099615881
Energy: 1.273709394619935
Energy: 1.4312074620521231
Energy: 1.285513072627304
Energy: 1.4312074620521231
Energy: 1.276276743290286
Energy: 1.5074058210309205
Energy: 1.2781481617169395
Energy: 1.5074058210309205
Energy: 1.2780971531206984
Energy: 1.382545338060353
Energy: 1.5040716395442977
Energy: 1.382545338060353
Energy: 1.3911741452100788
Energy: 1.5445593469677033
Energy: 1.308698767673592
Energy: 1.5445593469677033
Energy: 1.2698480729734252
Energy: 1.34542646023262
Energy: 1.333823541795463
Energy: 1.34542646023262
Energy: 1.3565376364401456
Energy: 1.408857389983441
Energy: 1.3005082357956286
Energy: 1.408857389983441
Energy: 1.2928518599629581
Energy: 1.5316573339579413
Energy: 1.2670343623189633
Energy: 1.5316573339586266
Energy: 1.3288378295238468
Energy: 1.4369475825331177
Energy: 1.2854408677633191
Energy: 1.4369475825331177

minimum gb energy = 1.2555909802812084 eV
minimum distance =  2.20673477856566 Angstroms
sigma value = 89


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

Energy: 1.1727300097829243
Energy: 1.1725794271958057
Energy: 1.6423571082402537
Energy: 1.1725794271958057
Energy: 1.1908703802189176
Energy: 1.2214000094825164
Energy: 1.1937574046384243
Energy: 1.2214000094825164
Energy: 1.1909521827297969
Energy: 1.4212857602205158
Energy: 1.6422169280584304
Energy: 1.4212857602187232
Energy: 1.1679255374922262
Energy: 1.2217002071466159
Energy: 1.194205019713191
Energy: 1.2217002071466159
Energy: 1.1905692018314094
Energy: 1.3022168911933218
Energy: 1.1733406978380891
Energy: 1.3022168911933218
Energy: 1.190253163914302
Energy: 1.1742766504193447
Energy: 1.1776338540229203
Energy: 1.1742766504193447
Energy: 1.1912454601908324
Energy: 1.4216257673166466
Energy: 1.1729811793411902
Energy: 1.4216257673166466
Energy: 1.1895701257987612
Energy: 1.2939478960961401
Energy: 1.1941661170119549
Energy: 1.2939478960943478
Energy: 1.1902637378647838
Energy: 1.3019559263279687
Energy: 1.1688617785029862
Energy: 1.3019559263279687
Energy: 1.224208191809123
Energy: 1.1736285770178363
Energy: 1.1900703960914814
Energy: 1.1736285770178363
Energy: 1.172054861493797
Energy: 1.222849534612725
Energy: 1.1902634162936707
Energy: 1.222849534612725
Energy: 1.172551187537568
Energy: 1.422932027547215
Energy: 1.1938624069028605
Energy: 1.422932027547215
Energy: 1.190528055709118
Energy: 1.1757069613161117
Energy: 1.1859513841436309
Energy: 1.1757069613161117
Energy: 1.1902999008287938
Energy: 1.3001922069741707
Energy: 1.1901550175046587
Energy: 1.3001922069741707
Energy: 1.1689554184933342
Energy: 1.1756446947119552
Energy: 1.1899518669422153
Energy: 1.1756446947119552

minimum gb energy = 1.1679255374922262 eV
minimum distance =  2.23254163925263 Angstroms
sigma value = 13


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

Energy: 1.188840584479374
Energy: 1.5004692493155487
Energy: 1.6753508298890987
Energy: 1.5004692493178027
Energy: 1.3398336790513319
Energy: 1.5201517829240259
Energy: 1.131344514032304
Energy: 1.5201517829240259
Energy: 1.139771889789714
Energy: 1.5290083062707773
Energy: 1.645096764494203
Energy: 1.5290083062707773
Energy: 1.163703847348042
Energy: 1.3485714522408718
Energy: 1.1238164787923328
Energy: 1.3485714521845604
Energy: 1.153981861371085
Energy: 1.4111125873984223
Energy: 1.2012102265198652
Energy: 1.4111125873984223
Energy: 1.151708300436734
Energy: 1.1722449330640075
Energy: 1.157390016983383
Energy: 1.1722449330640075
Energy: 1.1494775062563327
Energy: 1.3393936724970625
Energy: 1.18437160453743
Energy: 1.33939367264199
Energy: 1.1141685694375458
Energy: 1.5533079288066687
Energy: 1.1576013613994645
Energy: 1.5533079288096738
Energy: 1.1552078759961328
Energy: 1.4072721085004296
Energy: 1.3201089137453996
Energy: 1.4072721085026831
Energy: 1.3389704629989638
Energy: 1.4355441038342491
Energy: 1.123854940917587
Energy: 1.4355441038342491
Energy: 1.1475554086171231
Energy: 1.267411058864733
Energy: 1.1466877483573596
Energy: 1.267411058864733
Energy: 1.484340957096265
Energy: 1.4356794679768363
Energy: 1.1335044545572004
Energy: 1.4356794679760851
Energy: 1.2039722218206363
Energy: 1.1631480427880936
Energy: 1.1380787204975338
Energy: 1.1631480427880936
Energy: 1.5092064738440032
Energy: 1.2653347987779238
Energy: 1.133890678641951
Energy: 1.265334798778675
Energy: 1.155219529963754
Energy: 1.138116610993523
Energy: 1.1434983756602155
Energy: 1.138116610993523
Energy: 1.1341915281933468
Energy: 1.266738006621778
Energy: 1.1366525942307169
Energy: 1.266738006621778
Energy: 1.15138159082224
Energy: 1.2276550671631667
Energy: 1.1376627901336764
Energy: 1.2276550671631667
Energy: 1.1782415108908049
Energy: 1.2333735554641003
Energy: 1.1721531732247834
Energy: 1.2333735554633491
Energy: 1.1514908523947867
Energy: 1.1619746627012888
Energy: 1.1531151893709393
Energy: 1.1619746627005378
Energy: 1.1525266021700937
Energy: 1.1621408525623127
Energy: 1.172703712413588
Energy: 1.162140852563064
Energy: 1.1619103645843256
Energy: 1.2330811485712263
Energy: 1.1539604185221572
Energy: 1.2330811485712263
Energy: 1.1519079604085227
Energy: 1.2276188571004159
Energy: 1.1213902132359432
Energy: 1.2276188571004159
Energy: 1.1339756269445083
Energy: 1.2667108803535663
Energy: 1.1210381784263785
Energy: 1.2667108803543172
Energy: 1.1505406714661843
Energy: 1.1375708979204222
Energy: 1.165506795386073
Energy: 1.1375708979204222
Energy: 1.5092970048679613
Energy: 1.2658242761078433
Energy: 1.1335755238274001
Energy: 1.2658242761078433
Energy: 1.2041203702668375
Energy: 1.162924777728633
Energy: 1.1664674782650881
Energy: 1.162924777728633
Energy: 1.4826185485771293
Energy: 1.4364208985546503
Energy: 1.1338344804502092
Energy: 1.4364208985546503
Energy: 1.147567165585074
Energy: 1.2674305322482597
Energy: 1.158216663067452
Energy: 1.2674305322482597
Energy: 1.3333684407306767
Energy: 1.4349637375542905
Energy: 1.124170986055994
Energy: 1.4349637375535393
Energy: 1.1547342667371843
Energy: 1.4076121544167763
Energy: 1.500202486855677
Energy: 1.4076121546248102
Energy: 1.1130971910801566
Energy: 1.554419471391131
Energy: 1.1576280421182457
Energy: 1.5544194708932422
Energy: 1.1470806648078846
Energy: 1.3382849673591803
Energy: 1.5628059558711092
Energy: 1.3382849715163816
Energy: 1.1519199833168379
Energy: 1.1723684819334688
Energy: 1.1576332597773287
Energy: 1.1723684819334688
Energy: 1.1546754654444575
Energy: 1.4081262762767204
Energy: 1.2115441283929973
Energy: 1.4081262762759692
Energy: 1.163925225602511
Energy: 1.3515208890033679
Energy: 1.1235895998280458
Energy: 1.3515208889936015

minimum gb energy = 1.1130971910801566 eV
minimum distance =  2.14625546478896 Angstroms
sigma value = 37


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

Energy: 1.0982533217433195
Energy: 1.0975973290588399
Energy: 1.049187356969672
Energy: 1.0975973290601324
Energy: 1.181939684100877
Energy: 1.0973534544772467
Energy: 1.044239601825391
Energy: 1.0973534544772467
Energy: 1.0607336544551482
Energy: 1.2589110867340625
Energy: 1.8559770497076766
Energy: 1.2589110867340625
Energy: 1.0424791215872993
Energy: 1.3723868498450753
Energy: 1.0446094721385317
Energy: 1.3723868500802
Energy: 1.0427427183663198
Energy: 1.371202534494045
Energy: 1.0464416224457445
Energy: 1.371202534494045
Energy: 1.0516213016435396
Energy: 1.09760799834398
Energy: 1.036747901952648
Energy: 1.09760799834398
Energy: 1.0809033469801206
Energy: 1.428309379038947
Energy: 1.3482232016686813
Energy: 1.428309379022144
Energy: 1.042159639561315
Energy: 1.0983767998418605
Energy: 1.1022339323630594
Energy: 1.0983767998418605
Energy: 1.04261388192154
Energy: 1.0975083130545986
Energy: 1.3486127942296584
Energy: 1.0975083130545986
Energy: 1.4822962956968282
Energy: 1.0974819589440261
Energy: 1.036776089837487
Energy: 1.0974819589466114
Energy: 1.0805945301062974
Energy: 1.1628354322868593
Energy: 1.0332071761648063
Energy: 1.1628354322868593
Energy: 1.4003805095471589
Energy: 1.0976369951548557
Energy: 1.044246343559345
Energy: 1.0976369951548557
Energy: 1.0322931276589395
Energy: 1.2363801284536506
Energy: 1.031496629193981
Energy: 1.2363801284536506
Energy: 1.3402125987761768
Energy: 1.427606206052476
Energy: 1.0443559302496501
Energy: 1.427606206052476
Energy: 1.0973493615042202
Energy: 1.1604284778928118
Energy: 1.0424231961744737
Energy: 1.1604284778928118
Energy: 1.0981220150664077
Energy: 1.0975586526747219
Energy: 1.0445696170836416
Energy: 1.0975586526747219
Energy: 1.0323041002960582
Energy: 1.4764968755037788
Energy: 1.0511780548967116
Energy: 1.4764968755037788
Energy: 1.0327125642739512
Energy: 1.7644717154791425
Energy: 1.042641908487819
Energy: 1.7644717154791425
Energy: 1.0445009013922182
Energy: 1.099205363778396
Energy: 1.041988741523333
Energy: 1.099205363778396
Energy: 1.0423679540002344
Energy: 1.0977136555244627
Energy: 1.0322328934116742
Energy: 1.0977136555244627

minimum gb energy = 1.031496629193981 eV
minimum distance =  2.25347174282441 Angstroms
sigma value = 25


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

Energy: 1.153652117096789
Energy: 1.2008526894125306
Energy: 0.946045445723448
Energy: 1.2008526894548983
Energy: 1.5172287514235914
Energy: 1.4168842465741005
Energy: 0.9696323257377443
Energy: 1.4168842465741005
Energy: 1.0823894723844927
Energy: 1.0832118116112446
Energy: 1.3015295000433227
Energy: 1.0832118116102354
Energy: 1.2973139221742733
Energy: 1.3332686674964962
Energy: 0.9715461040608799
Energy: 1.3332686674964962
Energy: 0.985930832444763
Energy: 1.416648000957503
Energy: 1.0289261165483778
Energy: 1.416648000957503
Energy: 1.0600151356575156
Energy: 1.409544679572151
Energy: 0.9854612911007447
Energy: 1.409544679572151
Energy: 0.9693751011646704
Energy: 1.1792721658991423
Energy: 1.296991917502775
Energy: 1.179272165898133
Energy: 0.957832898495854
Energy: 1.3392689497518926
Energy: 1.0842859625281556
Energy: 1.3392689497518926
Energy: 0.9683694549883939
Energy: 1.4194953427161376
Energy: 1.5052731468851037
Energy: 1.4194953427161376
Energy: 0.9402054792712097
Energy: 1.1781201218415456
Energy: 1.0298232780915377
Energy: 1.178120121896025
Energy: 0.9688135116925292
Energy: 0.9593318099762406
Energy: 1.4054548613120377
Energy: 0.9593318099762406
Energy: 1.3024625039962272
Energy: 1.4879040420323477
Energy: 1.0840960538825046
Energy: 1.4879040420323477
Energy: 0.9738749529546329
Energy: 1.3325475643778575
Energy: 1.2939123293769679
Energy: 1.3325475643778575
Energy: 1.2617836432705483
Energy: 1.4987363293928047
Energy: 0.9853120050973329
Energy: 1.4987363293928047
Energy: 0.9896011499660189
Energy: 1.0677822325902548
Energy: 1.0528931355938895
Energy: 1.0677822330139783
Energy: 1.3456147915029153
Energy: 1.2366494474192846
Energy: 0.9667739502388847
Energy: 1.2366494474283685
Energy: 1.0892182708484344
Energy: 1.3394241557017081
Energy: 0.9378679393476033
Energy: 1.3394241557017081
Energy: 1.327097796970181
Energy: 1.3093294957493065
Energy: 0.9659474154879679
Energy: 1.3093294957503159
Energy: 1.1599178037691495
Energy: 1.091758906423523
Energy: 0.9358394466985568
Energy: 1.0917589059261659
Energy: 1.5114894517408919
Energy: 1.3373665866250082
Energy: 0.9670887262876842
Energy: 1.3373665866250082
Energy: 1.0896635297199815
Energy: 1.48683699538971
Energy: 0.9309638177442845
Energy: 1.48683699538971
Energy: 1.090089345049439
Energy: 1.0137067454603554
Energy: 0.9760290476353024
Energy: 1.013706745458337
Energy: 0.9898506502862652
Energy: 1.277649222320196
Energy: 1.2613437268365926
Energy: 1.2776492223010192
Energy: 1.0501849940556631
Energy: 1.2412978809523405
Energy: 0.9843325582598806
Energy: 1.2412978809523405
Energy: 0.9666983384213728
Energy: 1.2363271072026978
Energy: 1.3607217403033727
Energy: 1.2363271072026978
Energy: 0.9405549968190656
Energy: 1.1305546885572333
Energy: 1.091748053410554
Energy: 1.1305546885572333

minimum gb energy = 0.9309638177442845 eV
minimum distance =  2.16088241465507 Angstroms
sigma value = 41


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

Energy: 1.2459108575199593
Energy: 1.2495307192161897
Energy: 1.5566745491255631
Energy: 1.2495307192161897
Energy: 1.2853758819224799
Energy: 1.2370867675877113
Energy: 0.8697423568920387
Energy: 1.2370867675868837
Energy: 0.9013367756727154
Energy: 1.223672521494771
Energy: 1.1959874330990414
Energy: 1.223672521494771
Energy: 1.2379665806929367
Energy: 1.233810826185852
Energy: 0.8698959239739066
Energy: 1.2338108261941267
Energy: 0.8632375474488776
Energy: 1.2693126598491224
Energy: 0.8599887610846966
Energy: 1.2693126598491224
Energy: 1.0496631743601876
Energy: 1.23388137592601
Energy: 0.8697705694957623
Energy: 1.23388137592601
Energy: 0.868543524411428
Energy: 1.2349926765445636
Energy: 0.934279337745248
Energy: 1.234992676545391
Energy: 0.8533213911304156
Energy: 1.0748659611223776
Energy: 0.8646808021711404
Energy: 1.0748659611232052
Energy: 0.8735244230778206
Energy: 1.0754034541919122
Energy: 1.106851870904639
Energy: 1.0754034541919122
Energy: 0.8571831554566103
Energy: 1.2231781592937456
Energy: 0.9028338608534248
Energy: 1.2231781592937456
Energy: 0.8686234111066268
Energy: 1.2329613995135327
Energy: 1.410849421282026
Energy: 1.23296139951436
Energy: 0.8544756711092943
Energy: 1.248411739362741
Energy: 1.2458447191762003
Energy: 1.248411739362741
Energy: 0.8734862351452374
Energy: 1.0747828831909423
Energy: 1.406473497355166
Energy: 1.0747828823952617
Energy: 1.1540215230728734
Energy: 1.0127825566293716
Energy: 0.902810047846781
Energy: 1.0127825566293716
Energy: 0.8685200751324014
Energy: 1.234239233413511
Energy: 1.2379281939530395
Energy: 1.234239233413511
Energy: 1.1228046897924029
Energy: 1.2818011881359452
Energy: 0.8648599074294909
Energy: 1.2818011881028466
Energy: 0.8730657776085545
Energy: 1.0788474585394858
Energy: 1.051513047469105
Energy: 1.0788474585411407
Energy: 1.1108689526568183
Energy: 1.0106649099799518
Energy: 0.8698105785304651
Energy: 1.0106649099799518
Energy: 0.8686406713212237
Energy: 0.9016225576961093
Energy: 0.8528317508496892
Energy: 0.901622557695282
Energy: 1.1071074595209955
Energy: 1.073859280399866
Energy: 0.8781070471579172
Energy: 1.073859280396556
Energy: 0.9063882366403777
Energy: 0.9017122851062557
Energy: 0.8586093026056326
Energy: 0.9017122851070832
Energy: 1.4237901573927885
Energy: 0.9300479738148577
Energy: 0.8701002036099228
Energy: 0.9300479738148577
Energy: 1.2474716742172416
Energy: 1.0733733735338187
Energy: 0.8543044493172477
Energy: 1.0733733748522303
Energy: 1.2580525593447216
Energy: 1.075755372450765
Energy: 0.8730682695430022
Energy: 1.0757553724284235
Energy: 0.9067280304793935
Energy: 0.9979535668961518
Energy: 0.8578937376599125
Energy: 0.9979535668961518
Energy: 1.2247786086584307
Energy: 0.9284042923137139
Energy: 0.8698543180692844
Energy: 0.9284042923137139
Energy: 0.8686458118634763
Energy: 1.2828111644195166
Energy: 1.1435919555248715
Energy: 1.2828111644195166
Energy: 0.8640784116649475
Energy: 1.0744300101372306
Energy: 0.873771849042436
Energy: 1.0744300104556535
Energy: 0.8733624439089598
Energy: 0.9978957134908433
Energy: 1.1102293593110548
Energy: 0.9978957134916706
Energy: 0.8475701724581391
Energy: 1.125647385890004
Energy: 0.8753194660519611
Energy: 1.125647331285129
Energy: 0.8778635996647886
Energy: 1.0731032551735629
Energy: 1.1068313185773586
Energy: 1.0731032551735629
Energy: 0.8542613260944201
Energy: 0.9016596970610051
Energy: 0.9122454273840858
Energy: 0.9016596970610051

minimum gb energy = 0.8475701724581391 eV
minimum distance =  2.25389907755003 Angstroms
sigma value = 15


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

Energy: 1.135687222753307
Energy: 0.8215353471830107
Energy: 1.5153730091461421
Energy: 0.8215353471837117
Energy: 1.4175970751414009
Energy: 0.9632963792317502
Energy: 0.818031679495817
Energy: 0.9632963557769542
Energy: 0.8497720837998625
Energy: 1.1124161884013002
Energy: 1.6835024204286482
Energy: 1.11241618840831
Energy: 1.2556801166812628
Energy: 0.9673668828909798
Energy: 0.8179763833976069
Energy: 0.9673668378409529
Energy: 0.813975050334692
Energy: 0.8242266249114621
Energy: 0.7996385201887588
Energy: 0.8242266235816126
Energy: 1.1057267970504985
Energy: 0.9626668721696342
Energy: 0.8179557513212405
Energy: 0.9626668719916498
Energy: 0.8173217241416626
Energy: 1.1231396568357772
Energy: 0.8536357408929257
Energy: 1.1231396568350764
Energy: 0.9544717677835014
Energy: 1.1219656239032394
Energy: 0.8179070561772175
Energy: 1.1219656239060434
Energy: 0.8202087328898938
Energy: 0.8353592818563593
Energy: 1.0037488104368577
Energy: 0.8353592818563593
Energy: 0.7863015567060896
Energy: 0.8155388520785551
Energy: 0.8145807766118327
Energy: 0.8155388520785551
Energy: 0.8174773519080242
Energy: 0.969161258359596
Energy: 1.3047060540690667
Energy: 0.969161258357493
Energy: 0.7900240354182826
Energy: 1.108680108319608
Energy: 0.8507675291059715
Energy: 1.108680108320309
Energy: 0.8207713767360496
Energy: 0.8351186156882004
Energy: 1.426686442254399
Energy: 0.8351186156882004
Energy: 0.7862495456710079
Energy: 0.8217462158245903
Energy: 1.13604897990834
Energy: 0.8217462158245903
Energy: 0.8172450548641527
Energy: 0.9622603954534809
Energy: 1.4281532336407758
Energy: 0.9622604384512375
Energy: 1.0417485707313354
Energy: 1.110589784382252
Energy: 0.8514879583244005
Energy: 1.1105897843815513
Energy: 0.8203249229557115
Energy: 0.8333132096109365
Energy: 1.2590875793657381
Energy: 0.8333132096109365
Energy: 1.0201481813692674
Energy: 0.8230093076349
Energy: 0.814713477130618
Energy: 0.8230093077063677
Energy: 0.8177627226409455
Energy: 0.9629569263361631
Energy: 1.1076341801651777
Energy: 0.9629569241753051
Energy: 1.0115926633719279
Energy: 1.136401823176422
Energy: 0.818155036412314
Energy: 1.136401823176422
Energy: 0.8202946483988146
Energy: 0.9948329442686212
Energy: 0.9549844553147027
Energy: 0.9948329442693222
Energy: 1.0091718278919093
Energy: 0.8356533035390075
Energy: 0.8240274803193727
Energy: 0.8356533036763354
Energy: 0.8173125435990899
Energy: 0.815149228524448
Energy: 0.7868311053890443
Energy: 0.815149228524448
Energy: 1.32486042128317
Energy: 0.9621040848354634
Energy: 0.8178637252402835
Energy: 0.9621040847941376
Energy: 0.8529480987893027
Energy: 0.850649292260666
Energy: 0.792666512544754
Energy: 0.8506492922648718
Energy: 1.3017604163919085
Energy: 0.8324526468960853
Energy: 0.8241485791333912
Energy: 0.8324526468995903
Energy: 1.1365264143691358
Energy: 0.8152699448686489
Energy: 0.7863516974104159
Energy: 0.81526994486935
Energy: 1.4329744545848524
Energy: 0.9612051947425005
Energy: 0.8182222131602236
Energy: 0.9612051947502114
Energy: 0.8533435642267988
Energy: 0.8521897070163044
Energy: 0.7921234168662494
Energy: 0.8521897070085935
Energy: 1.1121910202166037
Energy: 0.8327132660452371
Energy: 0.8242504093167942
Energy: 0.8327132660459382
Energy: 0.8172791503767386
Energy: 0.8164616221883381
Energy: 1.0418289414480635
Energy: 0.8164616221918429
Energy: 1.1068920570956948
Energy: 0.961297685433732
Energy: 0.8182462289051762
Energy: 0.9612976805129668
Energy: 0.8204850710791417
Energy: 1.1307681096179936
Energy: 1.0113447973454384
Energy: 1.1307681096179936
Energy: 0.7920092165146955
Energy: 0.994032532585516
Energy: 0.8244602363733617
Energy: 0.9940325401695169
Energy: 0.8101988701888373
Energy: 0.8164905501729001
Energy: 1.0084108615683216
Energy: 0.816490550173601
Energy: 0.7821253864707184
Energy: 0.8148926431926212
Energy: 0.8212891490893525
Energy: 0.8148926431926212
Energy: 0.8205052391043589
Energy: 0.8523225984154155
Energy: 1.3198415747238146
Energy: 0.8523225984161164

minimum gb energy = 0.7821253864707184 eV
minimum distance =  2.2589367688884 Angstroms
sigma value = 85


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

Energy: 1.0866457129339135
Energy: 1.036752256031261
Energy: 0.724229552617737
Energy: 1.036752256031261
Energy: 1.3359998511462399
Energy: 1.0363371613629226
Energy: 0.7585584221694825
Energy: 1.0363371613635306
Energy: 1.0342610970754296
Energy: 1.0349735657959243
Energy: 1.578871336557744
Energy: 1.0349735657959243
Energy: 1.2651761504787633
Energy: 1.0365754389044122
Energy: 0.7585132262627861
Energy: 1.0365754389044122
Energy: 0.8004835635070409
Energy: 0.9993719779303926
Energy: 0.7118692541345712
Energy: 0.9993719779297847
Energy: 1.1266860502511575
Energy: 1.0369643287800692
Energy: 0.7584442083287806
Energy: 1.0369643287800692
Energy: 0.7541609282559005
Energy: 1.0609045015898346
Energy: 0.8314414209067423
Energy: 1.0609045015898346
Energy: 0.9939890598089723
Energy: 1.0362315995483335
Energy: 0.7585309361436672
Energy: 1.0362315995483335
Energy: 0.7575270164216201
Energy: 1.0154526952998222
Energy: 0.9506270153138054
Energy: 1.0154526952998222
Energy: 0.8581653783571769
Energy: 1.059634630417648
Energy: 0.7551452462124691
Energy: 1.059634630417648
Energy: 0.7606596210140364
Energy: 1.0579572674190205
Energy: 1.1802536057468058
Energy: 1.0579572674190205
Energy: 0.7144470767582501
Energy: 0.9181037633649715
Energy: 0.8013602604445811
Energy: 0.9181037633637555
Energy: 0.7577487131579319
Energy: 1.01516506739707
Energy: 1.2959686822184793
Energy: 1.01516506739707
Energy: 0.7179056845941756
Energy: 1.0356752166115248
Energy: 1.0348976637123248
Energy: 1.0356752166115248
Energy: 0.7608457988830276
Energy: 1.035836941928536
Energy: 1.4060019736979483
Energy: 1.035836941929144
Energy: 0.7124434963744847
Energy: 0.8089111554544139
Energy: 1.0864680812948342
Energy: 0.8089111554550218
Energy: 0.7576213401861126
Energy: 1.0158282265753509
Energy: 1.4027767215245663
Energy: 1.0158282265753509
Energy: 0.940965426979728
Energy: 1.035043978895026
Energy: 1.0349426288370058
Energy: 1.035043978895634
Energy: 0.7606493674747342
Energy: 0.9193154557066606
Energy: 1.2651272631941053
Energy: 0.9193154557066606
Energy: 0.9204152649869266
Energy: 0.8088585342662873
Energy: 0.8014923088037841
Energy: 0.8088585342608157
Energy: 0.7575937965453065
Energy: 1.0165729399819172
Energy: 1.124423941300672
Energy: 1.0165729399819172
Energy: 0.9128645135624426
Energy: 1.0573481069752038
Energy: 0.7550524658970873
Energy: 1.0573481069752038
Energy: 0.7604564903072586
Energy: 0.9211317044929989
Energy: 0.9930489122092581
Energy: 0.921131704491783
Energy: 0.917347078130777
Energy: 1.061143649569774
Energy: 0.7584390218445528
Energy: 1.061143649569774
Energy: 0.757869892949232
Energy: 0.919864154476876
Energy: 0.8582881396437915
Energy: 0.919864154476876
Energy: 1.178450566955137
Energy: 1.0362798524385517
Energy: 0.7596703694964264
Energy: 1.0362798524713817
Energy: 0.8039969167607679
Energy: 0.8006761740886703
Energy: 0.7142356849036432
Energy: 0.8006761740911021
Energy: 1.1904298170273209
Energy: 0.9468162848772375
Energy: 0.7585701155736698
Energy: 0.9468162848766295
Energy: 1.0364882769607713
Energy: 1.0359800855850314
Energy: 0.7179242332966608
Energy: 1.0359800855850314
Energy: 1.4022025897011476
Energy: 0.91830707444538
Energy: 0.7589904510809364
Energy: 0.9183070745328709
Energy: 1.0883549243918935
Energy: 0.9421160390579577
Energy: 0.7149959700047249
Energy: 0.9421160390585656
Energy: 1.3043009744914422
Energy: 1.077289821072763
Energy: 0.7587740764844281
Energy: 1.077289821073371
Energy: 1.0364745223358494
Energy: 1.036484393606588
Energy: 0.7185811064177069
Energy: 1.036484393606588
Energy: 1.2660413955222845
Energy: 0.9172672568865653
Energy: 0.7597896237122596
Energy: 0.917267256892037
Energy: 0.8042466095544294
Energy: 0.8003415883197177
Energy: 0.9204817320201689
Energy: 0.8003415883002906
Energy: 1.0124845232202413
Energy: 0.9437096720989268
Energy: 0.7586562709589426
Energy: 0.9437096720989268
Energy: 0.7577395529118365
Energy: 1.0561147660804935
Energy: 0.9133840593856525
Energy: 1.0561147660804935
Energy: 0.9933845786369265
Energy: 0.9183389212641279
Energy: 0.760234821125356
Energy: 0.9183389212616959
Energy: 0.7607578771562218
Energy: 0.8002836487570427
Energy: 0.9180369531535391
Energy: 0.8002836487570427
Energy: 0.7244657244133248
Energy: 0.9751167804561729
Energy: 0.7587683267242363
Energy: 0.9751167804525251
Energy: 0.7572931151897765
Energy: 0.917844301959898
Energy: 1.178250689234642
Energy: 0.9178443019550342
Energy: 0.7145811016106084
Energy: 0.8001988832299101
Energy: 0.8070416714898798
Energy: 0.8001988832299101
Energy: 0.7589533110909068
Energy: 0.9173723966776077
Energy: 1.1891183176422246
Energy: 0.917372392438366

minimum gb energy = 0.7118692541345712 eV
minimum distance =  2.17668783835099 Angstroms
sigma value = 113


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

Energy: 0.013329568402562457
Energy: 0.01410772968111084
Energy: 1.0724193006975775
Energy: 0.01410772968111084
Energy: 1.072211351768005
Energy: 0.4499356591118299
Energy: 0.4497988127714292
Energy: 0.44993565911138855
Energy: 0.013329568402562457
Energy: 0.01410772968111084
Energy: 1.0724193006975775
Energy: 0.01410772968111084
Energy: 1.072211351768005
Energy: 0.4499356591118299
Energy: 0.4497988127714292
Energy: 0.44993565911138855
Energy: 0.013329568402562457
Energy: 0.01410772968111084
Energy: 1.0724193006975775
Energy: 0.01410772968111084
Energy: 1.072211351768005
Energy: 0.4499356591118299
Energy: 0.4497988127714292
Energy: 0.44993565911138855

minimum gb energy = 0.013329568402562457 eV
minimum distance =  2.48394291662267 Angstroms
sigma value = 1