Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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=3.5196185708045964
cohesive_energy=4.4503473912097995
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=[1.8512349917553e-19, 2.71302978141756e-19, 3.39017371401132e-19, 3.9788134093429194e-19, 4.49038840857912e-19, 4.92183855434898e-19, 5.282696797624799e-19, 5.58597281267466e-19, 5.8422569870492995e-19, 6.059608269217739e-19, 6.244339235117939e-19, 6.401737067642099e-19, 6.536255817832739e-19, 6.651580491948059e-19, 6.750627051461939e-19, 6.83555843483028e-19, 6.9078646663227e-19, 6.968555117218619e-19, 7.018559049965759e-19, 7.0588377705445195e-19, 7.0901122584402e-19, 7.1123024048211e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.11036377109396e-19, 7.083927856632958e-19, 7.044065701979039e-19, 6.988742542807019e-19, 6.915603179464919e-19, 6.82184380284324e-19, 6.70395564611352e-19, 6.557532723532259e-19, 6.376839242749739e-19, 6.1541206688574e-19, 5.8789468319679e-19, 5.53753901302884e-19, 5.11208100787014e-19, 4.58031858304554e-19, 3.91446999572148e-19, 3.07951166467872e-19, 2.02934896815708e-19, 6.984448709427899e-20, -1.0111528998370079e-19, -3.24197237536632e-19, -6.194815955361e-19, -1.0162574345929318e-18, -1.5592366980321658e-18, -2.3186379811921197e-18, -3.4233067268024395e-18]
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: 0.018107807550994524
Energy: 0.018366943486468074
Energy: 0.8102001432131423
Energy: 0.15286087362681822
Energy: 0.018366943486468074
Energy: 0.9895495013672585
Energy: 0.15286087362681822
Energy: 0.9895495013672585
Energy: 0.8102001432060477
Energy: 0.15286087362681822
Energy: 0.018107807550994524
Energy: 0.018366943486468074
Energy: 0.15286087362681822
Energy: 0.9895495013672585
Energy: 0.018366943486468074
Energy: 0.9895495013659352

minimum gb energy = 0.018107807550994524 eV
minimum distance =  2.44246307429029 Angstroms
sigma value = 1


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

Energy: 1.6280264311347492
Energy: 1.0890807905365447
Energy: 1.171795383115223
Energy: 1.1704727711242777
Energy: 1.1288953596833733
Energy: 1.206293155792292
Energy: 1.1077009303530931
Energy: 1.206293155792292
Energy: 1.1731145201458832
Energy: 1.1706336340676322
Energy: 1.1058550569937577
Energy: 1.1706336340644223
Energy: 1.1107594843765831
Energy: 1.1068962927489956
Energy: 1.1075332302729024
Energy: 1.1068962927473907
Energy: 1.1691616683920363
Energy: 1.107909739072939
Energy: 1.11148569052382
Energy: 1.1079097390769517
Energy: 1.1829478822613642
Energy: 1.2408921851478911
Energy: 1.1082504535332647
Energy: 1.2408921851470887
Energy: 1.1701367731094823
Energy: 1.2025940239659516
Energy: 1.1687246675508924
Energy: 1.2025940239667539
Energy: 1.172876380484409
Energy: 1.170586231541143
Energy: 1.2227528107958399
Energy: 1.170586231537933
Energy: 1.1945977336126206
Energy: 1.271422185848372
Energy: 1.1964267849150858
Energy: 1.2714221858467674
Energy: 1.2206175181113705
Energy: 1.2517539583896335
Energy: 1.1979566011983926
Energy: 1.2517539583888313
Energy: 1.1924179590211432
Energy: 1.270594887965857
Energy: 1.1960161029732537
Energy: 1.2705948879626474
Energy: 1.1710893481583553
Energy: 1.271346671198699
Energy: 1.2280876032019785
Energy: 1.271346671198699
Energy: 1.1841091923660254
Energy: 1.2028524286389066
Energy: 1.1274273575021838
Energy: 1.2028524286405113
Energy: 1.1842610321437048
Energy: 1.2106179593624748
Energy: 1.178163915847379
Energy: 1.210617959365685
Energy: 1.1277701559783044
Energy: 1.106451068698511
Energy: 1.1070225197056103
Energy: 1.106451068701721
Energy: 1.0844729055536455
Energy: 1.1069139871669706
Energy: 1.1064885380465463
Energy: 1.1069139871661682
Energy: 1.169413121880904
Energy: 1.1690044986362824
Energy: 1.0825724785436548
Energy: 1.169004498637085
Energy: 1.1075653996266897
Energy: 1.1075163168204083
Energy: 1.1288708178006137
Energy: 1.1075163168220132
Energy: 1.1069368985779413
Energy: 1.17245294980253
Energy: 1.1703862356875763
Energy: 1.17245294980253
Energy: 1.1685391594717078
Energy: 1.107355989089199
Energy: 1.1103595938113797
Energy: 1.1073559890859892
Energy: 1.1076383160140706
Energy: 1.1081819485323865
Energy: 1.1679576073398592
Energy: 1.1081819485323865
Energy: 1.107789964486345
Energy: 1.1069975157109222
Energy: 1.1834441218616925
Energy: 1.106997515714132
Energy: 1.1678775919188913
Energy: 1.2054520769226564
Energy: 1.1686431780772353
Energy: 1.205452076925064
Energy: 1.2230880938900224
Energy: 1.2050369111012798
Energy: 1.1719073458460645
Energy: 1.2050369111012798
Energy: 1.198218598873994
Energy: 1.273923051595067
Energy: 1.1956081292357712
Energy: 1.2739230515974747
Energy: 1.1998379538957933
Energy: 1.268089317121149
Energy: 1.2227796841706964
Energy: 1.2680893171203462
Energy: 1.1961649089362
Energy: 1.2704540006009997
Energy: 1.193043893845518
Energy: 1.2704540006009997
Energy: 1.2247013318995859
Energy: 1.2714161751959152
Energy: 1.1709792375929036
Energy: 1.2714161751983228
Energy: 1.1279984507846739
Energy: 1.204730707037489
Energy: 1.1851066490665916
Energy: 1.2047307070382913
Energy: 1.177852584594928
Energy: 1.2020446404682974
Energy: 1.1723458335230252
Energy: 1.2020446404723095
Energy: 1.1060026627173754
Energy: 1.1065320259703628
Energy: 1.1273722424892265
Energy: 1.1065320259727702
Energy: 1.1065683701325597
Energy: 1.1070405577759435
Energy: 1.084263394293768
Energy: 1.1070405577775484
Energy: 1.0827262990423303
Energy: 1.1693442660720843
Energy: 1.1688028624872917
Energy: 1.1693442660704794

minimum gb energy = 1.0825724785436548 eV
minimum distance =  2.24545995501228 Angstroms
sigma value = 1


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

Energy: 1.8390222808395833
Energy: 1.1338979202645165
Energy: 1.2290467995506726
Energy: 1.2274550415969427
Energy: 1.1881542460584895
Energy: 1.2606005396445248
Energy: 1.1585068448591875
Energy: 1.2606005396454396
Energy: 1.2264995214505767
Energy: 1.228311417493916
Energy: 1.157277275072025
Energy: 1.2283114174893413
Energy: 1.1646267423311272
Energy: 1.1582077161429394
Energy: 1.1586758618307675
Energy: 1.1582077161365762
Energy: 1.1569058691665552
Energy: 1.1594777479753426
Energy: 1.1589480495101228
Energy: 1.1594777479716827
Energy: 1.2510861645404876
Energy: 1.303074627322727
Energy: 1.1578791915396411
Energy: 1.303074627321812
Energy: 1.2354987362564334
Energy: 1.272466282209126
Energy: 1.2306583120737373
Energy: 1.2724662822054658
Energy: 1.2364121300558277
Energy: 1.2776912066043475
Energy: 1.2903541120687174
Energy: 1.2776912066079658
Energy: 1.2340064839254103
Energy: 1.338327043347027
Energy: 1.251446797573359
Energy: 1.338327043345197
Energy: 1.293055548321069
Energy: 1.3342425466550472
Energy: 1.2346129096408358
Energy: 1.3342425466513874
Energy: 1.1868050545869453
Energy: 1.2722096782449426
Energy: 1.2601396075973508
Energy: 1.2722096782476875
Energy: 1.1873912145499679
Energy: 1.2742899167684216
Energy: 1.252306548554026
Energy: 1.2742899167638468
Energy: 1.1594913591000697
Energy: 1.1587869491533531
Energy: 1.1872376541563812
Energy: 1.1587869491515232
Energy: 1.1580104510475127
Energy: 1.159205286853442
Energy: 1.1276773447816268
Energy: 1.1592052868516118
Energy: 1.1264738419429308
Energy: 1.2253646892705856
Energy: 1.2266902564309266
Energy: 1.2253646892760754
Energy: 1.1889437042454143
Energy: 1.1585935962310763
Energy: 1.1582551412396092
Energy: 1.1585935962310763
Energy: 1.228380429834021
Energy: 1.2296439687248197
Energy: 1.1569584755113038
Energy: 1.2296439687248197
Energy: 1.1641910353836737
Energy: 1.1581369872319331
Energy: 1.1622553334625905
Energy: 1.1581369872337632
Energy: 1.158023279918928
Energy: 1.1594583340805453
Energy: 1.160440751993887
Energy: 1.1594583340869498
Energy: 1.2509813831944536
Energy: 1.1595431131610114
Energy: 1.1607053325651957
Energy: 1.1595431131582667
Energy: 1.2321058278994774
Energy: 1.277588360921284
Energy: 1.231452248330592
Energy: 1.2775883609157943
Energy: 1.2336589797804274
Energy: 1.2769869597538923
Energy: 1.2913475779040653
Energy: 1.2769869597538923
Energy: 1.2332257110119287
Energy: 1.340322619989891
Energy: 1.252889417338296
Energy: 1.3403226200027003
Energy: 1.291949197006612
Energy: 1.3384460820215462
Energy: 1.2348757676838713
Energy: 1.3384460820270359
Energy: 1.1873963046763858
Energy: 1.2725231161151367
Energy: 1.2617194196757247
Energy: 1.2725231161160517
Energy: 1.1876661960007628
Energy: 1.2734301423159275
Energy: 1.2535072140158272
Energy: 1.273430142309523
Energy: 1.158499591263027
Energy: 1.1588875750041372
Energy: 1.1862344932846576
Energy: 1.158887575008712
Energy: 1.1581066644260058
Energy: 1.1593889494199838
Energy: 1.127723098186837
Energy: 1.1593889494172391
Energy: 1.1263392103034977
Energy: 1.1650853188111285
Energy: 1.225722785746862
Energy: 1.165085318817533

minimum gb energy = 1.1263392103034977 eV
minimum distance =  2.20927578642629 Angstroms
sigma value = 25


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

Energy: 1.761275192080556
Energy: 1.1820520993849053
Energy: 1.29064907880993
Energy: 1.290874911196493
Energy: 1.2592438499186833
Energy: 1.3173356689066564
Energy: 1.217472468574968
Energy: 1.3173356689055928
Energy: 1.289371678352938
Energy: 1.2905371139515005
Energy: 1.2150020081635435
Energy: 1.2905371139515005
Energy: 1.2249962797226952
Energy: 1.2174656343559027
Energy: 1.2174216982394357
Energy: 1.2174656343729204
Energy: 1.2144653393427058
Energy: 1.2173682583040526
Energy: 1.2184742797611887
Energy: 1.2173682583019252
Energy: 1.2250080483753412
Energy: 1.2172761237942031
Energy: 1.2168678623145128
Energy: 1.2172761237963303
Energy: 1.2985154495472024
Energy: 1.3601766604855625
Energy: 1.2957014289331554
Energy: 1.3601766604855625
Energy: 1.2977660203390786
Energy: 1.3650850864583148
Energy: 1.1974990331652258
Energy: 1.3650850864593784
Energy: 1.2980980174698327
Energy: 1.3597016427698851
Energy: 1.261027004249485
Energy: 1.3597016427666944
Energy: 1.2272446295736226
Energy: 1.3603755795601662
Energy: 1.216400463859622
Energy: 1.360375579558039
Energy: 1.1721510651838645
Energy: 1.217131513999098
Energy: 1.218840424802474
Energy: 1.2171315140001613
Energy: 1.172937233936138
Energy: 1.217500076220667
Energy: 1.217029124804262
Energy: 1.2175000762217307
Energy: 1.289663530770063
Energy: 1.288268033141005
Energy: 1.1719375365790288
Energy: 1.288268033132496
Energy: 1.2169307072353404
Energy: 1.2262977226409713
Energy: 1.2611796878708432
Energy: 1.2262977226409713
Energy: 1.2154262964946263
Energy: 1.292854510746857
Energy: 1.2932076369830583
Energy: 1.2928545107447298
Energy: 1.2228573041863435
Energy: 1.2170964312307144
Energy: 1.2260758239656502
Energy: 1.2170964312296508
Energy: 1.2164162928463362
Energy: 1.226112424112301
Energy: 1.2154167814021288
Energy: 1.2261124241112376
Energy: 1.2163918981145259
Energy: 1.2169359192306146
Energy: 1.2246169703934353
Energy: 1.2169359192316784
Energy: 1.2951130312301795
Energy: 1.364179974337478
Energy: 1.3010071156239735
Energy: 1.3641799743364145
Energy: 1.1962957786428383
Energy: 1.3637659346803936
Energy: 1.2981258088702254
Energy: 1.36376593467933
Energy: 1.2576862535979698
Energy: 1.3590683245546022
Energy: 1.3615305759844807
Energy: 1.3590683245546022
Energy: 1.2598201799968172
Energy: 1.359988687659031
Energy: 1.3343992985265376
Energy: 1.3599886876579677
Energy: 1.217276806131494
Energy: 1.2168484595320654
Energy: 1.1727550330836936
Energy: 1.2168484595320654
Energy: 1.2162475181643644
Energy: 1.217037063048666
Energy: 1.1730198710665483
Energy: 1.217037063048666
Energy: 1.1716138372434657
Energy: 1.2255169155938879
Energy: 1.2884860039151946
Energy: 1.2255169155917607

minimum gb energy = 1.1716138372434657 eV
minimum distance =  2.21098681675032 Angstroms
sigma value = 9


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

Energy: 1.6442801424123463
Energy: 1.2304079167547672
Energy: 1.3586167259358641
Energy: 1.358072767514262
Energy: 1.3551023565519464
Energy: 1.3733608329429396
Energy: 1.2853369947901878
Energy: 1.373360832946746
Energy: 1.3574471930766272
Energy: 1.3557357305097253
Energy: 1.3520066966076651
Energy: 1.3557357305097253
Energy: 1.2884440540372804
Energy: 1.374880227582175
Energy: 1.2856227468346693
Energy: 1.3748802275834437
Energy: 1.2830376516313866
Energy: 1.2856812628236978
Energy: 1.2896720511410873
Energy: 1.2856812628236978
Energy: 1.291049803961637
Energy: 1.2867836962848835
Energy: 1.2883781529412968
Energy: 1.2867836962810772
Energy: 1.3513274872203038
Energy: 1.4445651979878626
Energy: 1.2892168318342536
Energy: 1.4445651979853253
Energy: 1.2890673365771494
Energy: 1.4524051684480055
Energy: 1.2858250365496338
Energy: 1.4524051684441992
Energy: 1.2849663883096996
Energy: 1.285718964045453
Energy: 1.215540797841018
Energy: 1.2857189640429154
Energy: 1.285230260337789
Energy: 1.2860455686070398
Energy: 1.2154155409705776
Energy: 1.2860455686057708
Energy: 1.2138167696557718
Energy: 1.3545715879348692
Energy: 1.3540286081475348
Energy: 1.354571587938676
Energy: 1.354346910091077
Energy: 1.2936707211229388
Energy: 1.353997288641031
Energy: 1.2936707211216698
Energy: 1.3633021062485093
Energy: 1.35463630743286
Energy: 1.3538206100291068
Energy: 1.354636307427785
Energy: 1.355696400027097
Energy: 1.285714343487359
Energy: 1.3532852378015632
Energy: 1.2857143434886278
Energy: 1.2828821115330153
Energy: 1.2933633654826018
Energy: 1.2972153574886094
Energy: 1.293363365481333
Energy: 1.2922959856430714
Energy: 1.2876570159157417
Energy: 1.2964585189022175
Energy: 1.2876570159144727
Energy: 1.3548896345538746
Energy: 1.4472580117947664
Energy: 1.286471064828232
Energy: 1.4472580117960356
Energy: 1.3551992535437436
Energy: 1.4453022645726585
Energy: 1.2862681994121195
Energy: 1.4453022645726585
Energy: 1.2834634027838716
Energy: 1.2854539927525965
Energy: 1.214927476624945
Energy: 1.2854539927576716
Energy: 1.2863885042493786
Energy: 1.2860336195222264
Energy: 1.215502038023375
Energy: 1.2860336195209574
Energy: 1.2136849552937619
Energy: 1.2887135447963254
Energy: 1.3526455278004994
Energy: 1.2887135448014004

minimum gb energy = 1.2136849552937619 eV
minimum distance =  2.24657622127793 Angstroms
sigma value = 25


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

Energy: 1.4763067295753693
Energy: 1.2730952001261273
Energy: 1.4314116581817808
Energy: 1.4313573284495833
Energy: 1.4236826772868005
Energy: 1.3748460698989045
Energy: 1.4247214175852068
Energy: 1.3748460698989045
Energy: 1.4299268518558168
Energy: 1.427098845208601
Energy: 1.4235366092739772
Energy: 1.4270988452070317
Energy: 1.4289003304177232
Energy: 1.3753383543345203
Energy: 1.3003323910006905
Energy: 1.3753383543345203
Energy: 1.3640032446749086
Energy: 1.3746709993526458
Energy: 1.2993928990752481
Energy: 1.3746709993526458
Energy: 1.2623979023814307
Energy: 1.3726883829524177
Energy: 1.2976952245391546
Energy: 1.372688382950849
Energy: 1.2551314849559836
Energy: 1.3768798870819594
Energy: 1.3019824368589836
Energy: 1.3768798870819594
Energy: 1.2556532002715424
Energy: 1.3759586681465479
Energy: 1.3003237064242015
Energy: 1.3759586681434095
Energy: 1.4247970298975159
Energy: 1.4255321592359191
Energy: 1.584586438821382
Energy: 1.4255321592359191
Energy: 1.4248452041103663
Energy: 1.265176660314552
Energy: 1.4238416035783334
Energy: 1.2651766603129826
Energy: 1.42745182967991
Energy: 1.425620860519709
Energy: 1.4373473471344493
Energy: 1.425620860519709
Energy: 1.4256125779559714
Energy: 1.3770415522444386
Energy: 1.4258673437357587
Energy: 1.3770415522444386
Energy: 1.299058366630532
Energy: 1.3010375093118716
Energy: 1.3639561190073501
Energy: 1.3010375093103024
Energy: 1.3000378637547492
Energy: 1.3764158553532229
Energy: 1.2644669000050233
Energy: 1.3764158553532229
Energy: 1.3684755300862395
Energy: 1.3743647662913878
Energy: 1.255300793888245
Energy: 1.3743647662913878
Energy: 1.2991374722013014
Energy: 1.4491912966160014
Energy: 1.2551305065399654
Energy: 1.4491912966175706
Energy: 1.5857241516684584
Energy: 1.2632305129940726
Energy: 1.4227589589328018
Energy: 1.2632305129956418

minimum gb energy = 1.2551305065399654 eV
minimum distance =  2.27560450542022 Angstroms
sigma value = 17


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

Energy: 1.9943523121996616
Energy: 1.465166119856919
Energy: 1.5635252877121
Energy: 1.5633088045629568
Energy: 1.2925257098210825
Energy: 1.3894003361303964
Energy: 1.4816225202752442
Energy: 1.3894003361303964
Energy: 1.3729690857136456
Energy: 1.37243278468501
Energy: 1.558064580774823
Energy: 1.37243278468501
Energy: 1.3727113542665696
Energy: 1.373016432292016
Energy: 1.3888211987204595
Energy: 1.3730164322902385
Energy: 1.3710563277915424
Energy: 1.49089906013194
Energy: 1.2930997899464904
Energy: 1.49089906013194
Energy: 1.3719746373244364
Energy: 1.4492159308556272
Energy: 1.3716104632973698
Energy: 1.4492159308600707
Energy: 1.444862245213842
Energy: 1.3701628438809104
Energy: 1.3744153171186482
Energy: 1.3701628438791331
Energy: 1.664486144688833
Energy: 1.38909874044386
Energy: 1.3716322044514246
Energy: 1.3890987404447483
Energy: 1.5719037536611324
Energy: 1.5581764055480656
Energy: 1.557410465057003
Energy: 1.5581764055507314
Energy: 1.5556398902683022
Energy: 1.484308884159892
Energy: 1.4804680117966946
Energy: 1.4843088841625578
Energy: 1.3690320188388896
Energy: 1.3228266703672327
Energy: 1.3209562868810665
Energy: 1.3228266703636777
Energy: 1.5784372768541177
Energy: 1.35739278129268
Energy: 1.3263523416715797
Energy: 1.3573927812917912
Energy: 1.4450999062796528
Energy: 1.3564800415499525
Energy: 1.3547745603031565
Energy: 1.35648004155173
Energy: 1.445326953715031
Energy: 1.356483914326409
Energy: 1.3222490981628696
Energy: 1.3564839143272975
Energy: 1.5564702250764086
Energy: 1.5754186159061614
Energy: 1.6638158761233632
Energy: 1.575418615904384
Energy: 1.5758083773617892
Energy: 1.55553588288347
Energy: 1.6643407500881742
Energy: 1.5555358828825814
Energy: 1.558196991964075
Energy: 1.370840855601879
Energy: 1.3715220205460268
Energy: 1.3708408555983242
Energy: 1.5577532873556792
Energy: 1.3710735840779862
Energy: 1.3683401315985508
Energy: 1.3710735840788346
Energy: 1.3710572342540985
Energy: 1.4920675061072788
Energy: 1.3716107951472027
Energy: 1.4920675061072788
Energy: 1.4131892656311074
Energy: 1.4906303407045645
Energy: 1.3711121757357907
Energy: 1.490630340705453
Energy: 1.3717459578311348
Energy: 1.3721188965943103
Energy: 1.595879427898794
Energy: 1.3721188965960878
Energy: 1.3728380265149747
Energy: 1.3738398218553347
Energy: 1.4458614338418907
Energy: 1.3738398218580006
Energy: 1.4805854689850872
Energy: 1.484529053533259
Energy: 1.5727993956345243
Energy: 1.4845290535359252
Energy: 1.5567421790735503
Energy: 1.558520611012675
Energy: 1.5583645566057696
Energy: 1.5585206110162297
Energy: 1.3516781576237742
Energy: 1.3568908762255336
Energy: 1.5610257450812204
Energy: 1.3568908762228675
Energy: 1.3262998736478575
Energy: 1.3575076320948258
Energy: 1.3694402424069536
Energy: 1.357507632096603
Energy: 1.3206830308976278
Energy: 1.325369251777725
Energy: 1.4462540969388373
Energy: 1.325369251777725
Energy: 1.324473553984532
Energy: 1.3568317979345228
Energy: 1.4462865733189616
Energy: 1.3568317979363003
Energy: 1.354283068558264
Energy: 1.3550597241727043
Energy: 1.4449325211930935
Energy: 1.355059724170038
Energy: 1.6632642900159336
Energy: 1.5585397886420076
Energy: 1.5604427702458812
Energy: 1.5585397886437848

minimum gb energy = 1.2925257098210825 eV
minimum distance =  2.23074413327075 Angstroms
sigma value = 53


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

Energy: 1.8221706149586427
Energy: 1.254526765289474
Energy: 1.4663334219891195
Energy: 1.4644921338571157
Energy: 1.649446594016963
Energy: 1.3328422961194126
Energy: 1.447658363435102
Energy: 1.3328422961173665
Energy: 1.4492265586062918
Energy: 1.4492928938475125
Energy: 1.4618663392715883
Energy: 1.4492928938475125
Energy: 1.4514150281979732
Energy: 1.3346618137427668
Energy: 1.4443641610094968
Energy: 1.3346618137407211
Energy: 1.4688057767818208
Energy: 1.3333957616965302
Energy: 1.2308221420755523
Energy: 1.3333957616944843
Energy: 1.4447947839110482
Energy: 1.3365084119459527
Energy: 1.231917608032057
Energy: 1.3365084119479986
Energy: 1.648883230856014
Energy: 1.4465524274728074
Energy: 1.4471297455760614
Energy: 1.4465524274707615
Energy: 1.6462048637346058
Energy: 1.4474132896981287
Energy: 1.4433988731630023
Energy: 1.4474132897042664
Energy: 1.453204450236337
Energy: 1.4478050830293852
Energy: 1.4636191932189007
Energy: 1.4478050830273395
Energy: 1.4433248168971868
Energy: 1.3351914456791565
Energy: 1.451551285107463
Energy: 1.3351914456812022
Energy: 1.4689029693628104
Energy: 1.3384515787725835
Energy: 1.2554101015514496
Energy: 1.3384515787787212
Energy: 1.4507583985263772
Energy: 1.3327721772777636
Energy: 1.2320010682224043
Energy: 1.3327721772798096
Energy: 1.646393736012007
Energy: 1.445074680581675
Energy: 1.4421495323347584
Energy: 1.445074680581675

minimum gb energy = 1.2308221420755523 eV
minimum distance =  2.26059522465625 Angstroms
sigma value = 9


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

Energy: 1.7775500897120804
Energy: 1.507326068584176
Energy: 1.6351545470444577
Energy: 1.631930314712663
Energy: 1.4169346920537451
Energy: 1.344324542847258
Energy: 1.6192713634400817
Energy: 1.3443245428518014
Energy: 1.3474283690660156
Energy: 1.3490116107421215
Energy: 1.6545708153149186
Energy: 1.3490116107428787
Energy: 1.349090474454587
Energy: 1.346502562817276
Energy: 1.7110295667929174
Energy: 1.3465025628218192
Energy: 1.3470340344730838
Energy: 1.3441400568024642
Energy: 1.7005511737871557
Energy: 1.3441400568009498
Energy: 1.3438988443623663
Energy: 1.3443495910292451
Energy: 1.6998415122288852
Energy: 1.3443495910307595
Energy: 1.6215682059494685
Energy: 1.5970781972602879
Energy: 1.6167339185519127
Energy: 1.5970781972625596
Energy: 1.6226898471961992
Energy: 1.5972172989366926
Energy: 1.5973664127150413
Energy: 1.5972172989374498
Energy: 1.419163863938718
Energy: 1.5246883921137024
Energy: 1.4396065565940823
Energy: 1.5246883921114307
Energy: 1.3391917154912671
Energy: 1.4448485382476264
Energy: 1.59818796527923
Energy: 1.444848538250655
Energy: 1.4164115606030796
Energy: 1.4175414268558442
Energy: 1.488313424736566
Energy: 1.4175414268558442
Energy: 1.4301092959187192
Energy: 1.4202902672593725
Energy: 1.699366613218287
Energy: 1.4202902672586153
Energy: 1.6277511300515053
Energy: 1.417355632342914
Energy: 1.4339473626414037
Energy: 1.4173556323474574
Energy: 1.6235612468562453
Energy: 1.418267858895056
Energy: 1.4230019616481833
Energy: 1.4182678588935416
Energy: 1.5977996507358894
Energy: 1.4449979228500534
Energy: 1.4299306391829265
Energy: 1.4449979228500534
Energy: 1.538631126567494
Energy: 1.5140478022608985
Energy: 1.4288548260014993
Energy: 1.5140478022639274
Energy: 1.5984573854559485
Energy: 1.4990094514468764
Energy: 1.4213314050431947
Energy: 1.4990094514491479
Energy: 1.596401945509704
Energy: 1.5982380975368333
Energy: 1.7760054317428733
Energy: 1.5982380975383477
Energy: 1.6188762637429597
Energy: 1.3450444520721272
Energy: 1.3407368935291268
Energy: 1.3450444520774278
Energy: 1.6586163626973722
Energy: 1.3512812163616919
Energy: 1.35978069044115
Energy: 1.3512812163624492
Energy: 1.713573608117429
Energy: 1.3467128533403436
Energy: 1.3451244258903161
Energy: 1.3467128533426156
Energy: 1.6998425946910187
Energy: 1.3436697368976394
Energy: 1.3444460851823663
Energy: 1.343669736893096
Energy: 1.7005103609073295
Energy: 1.345199667364172
Energy: 1.344045739610226
Energy: 1.3451996673619002
Energy: 1.6196600408929105
Energy: 1.5968889761471001
Energy: 1.6214191631871846
Energy: 1.5968889761516436
Energy: 1.5991935363004166
Energy: 1.5975321708148211
Energy: 1.6217980602888182
Energy: 1.5975321708170924
Energy: 1.4403490555621117
Energy: 1.6079276520563852
Energy: 1.4195596239487596
Energy: 1.6079276520525991
Energy: 1.5982998051357575
Energy: 1.4449562105518967
Energy: 1.3382288208728321
Energy: 1.444956210549625
Energy: 1.4876934757077216
Energy: 1.4186817720445715
Energy: 1.4178256702498606
Energy: 1.4186817720438143
Energy: 1.6987394532270832
Energy: 1.422815119224819
Energy: 1.429727984039028
Energy: 1.4228151192240617
Energy: 1.4379105070036198
Energy: 1.417698033608887
Energy: 1.62674073770008
Energy: 1.4176980336081293
Energy: 1.426255247576343
Energy: 1.41943249180588
Energy: 1.5967179755943128
Energy: 1.4194324918051229
Energy: 1.4206977627081159
Energy: 1.438604899128066
Energy: 1.5982847726463785
Energy: 1.4386048991288227
Energy: 1.4295520324851976
Energy: 1.5246620308186596
Energy: 1.5355263735259597
Energy: 1.5246620308179022
Energy: 1.4196170115947648
Energy: 1.5139045038657415
Energy: 1.4896543557400455
Energy: 1.5139045038649843
Energy: 1.7019122869576477
Energy: 1.5972854656771989
Energy: 1.596117570316616
Energy: 1.5972854656809847

minimum gb energy = 1.3382288208728321 eV
minimum distance =  2.22849761316139 Angstroms
sigma value = 73


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

Energy: 1.6907413855611835
Energy: 1.3556351586426818
Energy: 1.5682175126897595
Energy: 1.5150169395379924
Energy: 1.5090759329851566
Energy: 1.3550811977304544
Energy: 1.5141803366850475
Energy: 1.355081197729253
Energy: 1.373319359137006
Energy: 1.3601798600021464
Energy: 1.515113630770046
Energy: 1.360179860003348
Energy: 1.358356301286015
Energy: 1.357175813681659
Energy: 1.6713735264656724
Energy: 1.3571758136804575
Energy: 1.3549911215918182
Energy: 1.3539111254138518
Energy: 1.6622368285936848
Energy: 1.3539111254126504
Energy: 1.3540063685485666
Energy: 1.3535361879162144
Energy: 1.6610549563045423
Energy: 1.353536187917416
Energy: 1.5057113291497852
Energy: 1.5165983735920638
Energy: 1.5172335751058128
Energy: 1.5165983735908624
Energy: 1.503962137303868
Energy: 1.5159660911226633
Energy: 1.511643621029369
Energy: 1.5159660911226633
Energy: 1.5157657223927588
Energy: 1.4698420172518212
Energy: 1.5291902101797745
Energy: 1.4698420172518212
Energy: 1.3433950471707161
Energy: 1.4698792624235828
Energy: 1.5163568033893993
Energy: 1.4698792624247845
Energy: 1.5113492603383136
Energy: 1.5135312026672851
Energy: 1.3469708776619214
Energy: 1.5135312026672851
Energy: 1.5153211543193554
Energy: 1.5149232249098863
Energy: 1.6535538316845926
Energy: 1.514923224902678
Energy: 1.5034609766983082
Energy: 1.353415752602795
Energy: 1.3533768475711712
Energy: 1.3534157526051975
Energy: 1.5098335511596137
Energy: 1.3550158151749374
Energy: 1.3559920333192257
Energy: 1.3550158151761387
Energy: 1.6702374890543885
Energy: 1.3538620330242923
Energy: 1.3611305757252308
Energy: 1.3538620330242923
Energy: 1.6627344812236111
Energy: 1.3572146431253809
Energy: 1.3580900444507624
Energy: 1.3572146431253809
Energy: 1.6569549006837496
Energy: 1.3537515348210984
Energy: 1.353683406633343
Energy: 1.3537515348186957
Energy: 1.5140933070280276
Energy: 1.5107702421720386
Energy: 1.50579212572872
Energy: 1.5107702421696356
Energy: 1.513832691236604
Energy: 1.46445912469403
Energy: 1.503913082024314
Energy: 1.4644591246928287
Energy: 1.53064837461928
Energy: 1.4658768187049882
Energy: 1.5180995850201568
Energy: 1.465876818707391
Energy: 1.5124940142157053
Energy: 1.4643716953139552
Energy: 1.3481404018607743
Energy: 1.4643716953163581
Energy: 1.652717426757982
Energy: 1.513877761034383
Energy: 1.5137310383382612
Energy: 1.513877761034383

minimum gb energy = 1.3433950471707161 eV
minimum distance =  2.2335866727616 Angstroms
sigma value = 7


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

Energy: 2.214165888270146
Energy: 1.3859791302898017
Energy: 1.5826501509608968
Energy: 1.5147490615931447
Energy: 1.5065950704509778
Energy: 1.378989619104784
Energy: 1.5192665965488628
Energy: 1.3789896190971382
Energy: 1.395945897381263
Energy: 1.3872887594506698
Energy: 1.506192047484422
Energy: 1.3872887594455727
Energy: 1.377615664058014
Energy: 1.3767353241023774
Energy: 1.6702897425831382
Energy: 1.3767353241040765
Energy: 1.3885354523900602
Energy: 1.3861421727211667
Energy: 1.621783551159483
Energy: 1.386142172729662
Energy: 1.374346863465492
Energy: 1.3859098849558384
Energy: 1.6204236847678533
Energy: 1.385909884963484
Energy: 1.6178424603311523
Energy: 1.3899408234043562
Energy: 1.3750462437126176
Energy: 1.3899408234052057
Energy: 1.5135568664259125
Energy: 1.3859390154502054
Energy: 1.3853273928155059
Energy: 1.3859390154468074
Energy: 1.6194701520965122
Energy: 1.3746719771791418
Energy: 1.3740802764275908
Energy: 1.374671977172346
Energy: 1.6318706119386681
Energy: 1.3902506757624908
Energy: 1.3856618947626647
Energy: 1.390250675759093
Energy: 1.5182067426496058
Energy: 1.5217921508321772
Energy: 1.3715570675647193
Energy: 1.5217921508279295
Energy: 1.520091444537652
Energy: 1.5203037614001167
Energy: 1.6171987251793893
Energy: 1.5203037614069126
Energy: 1.5196882494763222
Energy: 1.4763351470210857
Energy: 1.5192946158760592
Energy: 1.476335147019464
Energy: 1.5086005533691196
Energy: 1.4682220443590837
Energy: 1.3929518202612352
Energy: 1.468222044356535
Energy: 1.5261564749464729
Energy: 1.4743062176378678
Energy: 1.410647821358701
Energy: 1.4743062176412662
Energy: 1.6101603370590896
Energy: 1.5208555163798065
Energy: 1.5215425376327705
Energy: 1.5208555163806556
Energy: 1.4082453631320848
Energy: 1.5201565930566534
Energy: 1.514321943789363
Energy: 1.5201565930626
Energy: 1.3857076031859767
Energy: 1.3864118614935321
Energy: 1.505518211035504
Energy: 1.3864118614926826
Energy: 1.3702905861282169
Energy: 1.3756463110573756
Energy: 1.5164436338107337
Energy: 1.3756463110505792
Energy: 1.3850215273365054
Energy: 1.385495826374292
Energy: 1.5031126291581616
Energy: 1.3854958263717436
Energy: 1.3757684420234353
Energy: 1.3897533068488281
Energy: 1.624773956951212
Energy: 1.3897533068420318
Energy: 1.5121779993033686
Energy: 1.3862208121220758
Energy: 1.374295482955931
Energy: 1.3862208121212265
Energy: 1.6138542526519761
Energy: 1.3865347867079056
Energy: 1.388895243251102
Energy: 1.3865347867164006
Energy: 1.6644020235489358
Energy: 1.3771786059605617
Energy: 1.376746080275999
Energy: 1.3771786059537654
Energy: 1.6312341128203827
Energy: 1.3866690818285474
Energy: 1.3960709822196211
Energy: 1.3866690818243
Energy: 1.6271506213801379
Energy: 1.3766151338977892
Energy: 1.3913108493537947
Energy: 1.3766151338867456
Energy: 1.5174977551110707
Energy: 1.5201139970278545
Energy: 1.9192127664901562
Energy: 1.5201139970244564
Energy: 1.518330660593031
Energy: 1.478268555439549
Energy: 1.52122185241574
Energy: 1.478268555437
Energy: 1.5104447387705777
Energy: 1.471420247638836
Energy: 1.5213515960146706
Energy: 1.4714202476328897
Energy: 1.5232315814893895
Energy: 1.4703717014409503
Energy: 1.393471291905285
Energy: 1.4703717014316058
Energy: 1.6011348175216376
Energy: 1.5184452529129837
Energy: 1.5186556535013611
Energy: 1.5184452529163819

minimum gb energy = 1.3702905861282169 eV
minimum distance =  2.19935141401502 Angstroms
sigma value = 29


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

Energy: 1.2928844083836997
Energy: 1.2948627961441013
Energy: 1.3438787172639457
Energy: 1.5743774270931066
Energy: 1.3414584123849003
Energy: 1.45540144862205
Energy: 1.3402622862824112
Energy: 1.45540144862205
Energy: 1.33358891973918
Energy: 1.408726295697862
Energy: 1.301785011409282
Energy: 1.4087262957047992
Energy: 1.3016471712190711
Energy: 1.3266764542645497
Energy: 1.3418647510120345
Energy: 1.3266764542631029
Energy: 1.3356356984895938
Energy: 1.334974842811352
Energy: 1.2991516509562764
Energy: 1.334974842811352
Energy: 1.3411557800900724
Energy: 1.4343466015830908
Energy: 1.3001819577900176
Energy: 1.4343466015810855
Energy: 1.300036823397078
Energy: 1.4096379487109751
Energy: 1.3346422022237634
Energy: 1.4096379486944701
Energy: 1.337464320318236
Energy: 1.33996837787681
Energy: 1.3023338659732933
Energy: 1.3399683778759552
Energy: 1.3020313598712496
Energy: 1.3334105391403042
Energy: 1.341098384959517
Energy: 1.3334105391397122

minimum gb energy = 1.2928844083836997 eV
minimum distance =  2.23856129088104 Angstroms
sigma value = 5


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

Energy: 1.7735646212857803
Energy: 1.2660310627278992
Energy: 1.5067339002728464
Energy: 1.2993713795451112
Energy: 1.3210879506633095
Energy: 1.3015967816148266
Energy: 1.5241433574462222
Energy: 1.3015967816180365
Energy: 1.5240691220089002
Energy: 1.4091346286919753
Energy: 1.5254314428781777
Energy: 1.4091346286903703
Energy: 1.3240633929612244
Energy: 1.293859291548994
Energy: 1.4782123676985097
Energy: 1.293859291545784
Energy: 1.4771458471821526
Energy: 1.2955208182479718
Energy: 1.520600691879503
Energy: 1.2955208182479718
Energy: 1.2959508224808933
Energy: 1.2970969491708106
Energy: 1.5199641843983829
Energy: 1.297096949171613
Energy: 1.2955767108295013
Energy: 1.2942951494744839
Energy: 1.4798852327145842
Energy: 1.2942951494720765
Energy: 1.2979190691208418
Energy: 1.302407762441109
Energy: 1.7000781961028084
Energy: 1.3024077624419117
Energy: 1.3259611484772484
Energy: 1.3502666317558087
Energy: 1.7045937353802445
Energy: 1.3502666317582162
Energy: 1.5454203060548939
Energy: 1.2721732351875483
Energy: 1.282527557646014
Energy: 1.272173235189153
Energy: 1.3245249620969621
Energy: 1.269368218435422
Energy: 1.274011085941844
Energy: 1.2693682184346198
Energy: 1.7106261003329228
Energy: 1.2675080095851894
Energy: 1.2688932971730273
Energy: 1.2675080095835844
Energy: 1.6977425286253132
Energy: 1.268744935439726
Energy: 1.2971516224078437
Energy: 1.2687449354421336
Energy: 1.324495900264497
Energy: 1.3462167011990835
Energy: 1.5211541310643273
Energy: 1.3462167011958737
Energy: 1.2952738342222132
Energy: 1.295849260477064
Energy: 1.5193466799440103
Energy: 1.2958492604778664
Energy: 1.303255878899487
Energy: 1.2992772335667016
Energy: 1.4756290128136575
Energy: 1.2992772335642944
Energy: 1.2961018451171515
Energy: 1.296020807084968
Energy: 1.3191538974112114
Energy: 1.2960208070769434
Energy: 1.5502782687387715
Energy: 1.3013368946627448
Energy: 1.3206824837684217
Energy: 1.3013368946643498
Energy: 1.5283328173089288
Energy: 1.4120350754194524
Energy: 1.4962987229486342
Energy: 1.412035075423465
Energy: 1.4817442290406195
Energy: 1.2938742798329799
Energy: 1.3195279407853495
Energy: 1.2938742798297702
Energy: 1.5190751323385068
Energy: 1.3033044948469654
Energy: 1.4805768892798818
Energy: 1.3033044948469654
Energy: 1.5206489072384666
Energy: 1.294772260277305
Energy: 1.2941034496811261
Energy: 1.2947722602789102
Energy: 1.4775497469010925
Energy: 1.2949002682496678
Energy: 1.2983150724119863
Energy: 1.2949002682504702
Energy: 1.701809901064751
Energy: 1.299810659978614
Energy: 1.3045152085429212
Energy: 1.2998106599794166
Energy: 1.7087314539014966
Energy: 1.3473744489408304
Energy: 1.327058701024849
Energy: 1.3473744489376203
Energy: 1.2684847966125916
Energy: 1.2737105120140615
Energy: 1.5452661308973186
Energy: 1.2737105120172711
Energy: 1.280374368846092
Energy: 1.2720783593532594
Energy: 1.325462757453525
Energy: 1.272078359349247
Energy: 1.2707800494064183
Energy: 1.2738106834085396
Energy: 1.3901845498795717
Energy: 1.2738106834077372
Energy: 1.2669307462189798
Energy: 1.2701360049242143
Energy: 1.6961392582568076
Energy: 1.2701360049226094
Energy: 1.5202015558052815
Energy: 1.3452806993728617
Energy: 1.3256745748074714
Energy: 1.345280699373664
Energy: 1.5204139862256856
Energy: 1.2974732426486753
Energy: 1.2992154079295095
Energy: 1.2974732426486753
Energy: 1.475811624848424
Energy: 1.2975732763009973
Energy: 1.298242520826959
Energy: 1.2975732763009973
Energy: 1.3215697007447684
Energy: 1.2944804854178475
Energy: 1.2947910997236065
Energy: 1.2944804854162426

minimum gb energy = 1.2660310627278992 eV
minimum distance =  2.20888769021339 Angstroms
sigma value = 1


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

Energy: 1.8931972799874148
Energy: 1.2058568902681874
Energy: 1.463668104536748
Energy: 1.2404519528393427
Energy: 1.2643092530689235
Energy: 1.2448901545898814
Energy: 1.5143745978222487
Energy: 1.2448901545943196
Energy: 1.5158078106756956
Energy: 1.3828796919634958
Energy: 1.5164785973496304
Energy: 1.3828796919646054
Energy: 1.2676469168181081
Energy: 1.3839811428118403
Energy: 1.493967987238597
Energy: 1.3839811428096214
Energy: 1.2394616987735008
Energy: 1.2383846187998024
Energy: 1.506695486061512
Energy: 1.2383846187998024
Energy: 1.2385325410596202
Energy: 1.240365939355196
Energy: 1.5075846812064182
Energy: 1.2403659393563053
Energy: 1.2358380210642836
Energy: 1.23798105967456
Energy: 1.4953314135143714
Energy: 1.2379810596756695
Energy: 1.2525312554813481
Energy: 1.2490567143173297
Energy: 1.7121018810128075
Energy: 1.2490567143151103
Energy: 1.4969569241594607
Energy: 1.3185901122810522
Energy: 1.711458579384836
Energy: 1.3185901122821617
Energy: 1.5109581466518516
Energy: 1.2505436387561975
Energy: 1.2525894592011975
Energy: 1.250543638757307
Energy: 1.4979428731507778
Energy: 1.237259455199676
Energy: 1.2360918543945307
Energy: 1.2372594551919094
Energy: 1.7053299949018221
Energy: 1.2562140457725874
Energy: 1.239345251259436
Energy: 1.256214045771478
Energy: 1.7052673484678291
Energy: 1.2390508039803867
Energy: 1.2380646829323345
Energy: 1.239050803978168
Energy: 1.492575430861514
Energy: 1.3824648884853705
Energy: 1.514976207403972
Energy: 1.3824648884864803
Energy: 1.270160208976767
Energy: 1.3823161592761186
Energy: 1.514119450587506
Energy: 1.382316159270571
Energy: 1.2640305856620695
Energy: 1.2417458464408622
Energy: 1.4954897192113097
Energy: 1.241745846443081
Energy: 1.2393618812962408
Energy: 1.2400475601496932
Energy: 1.5072070147570553
Energy: 1.2400475601508025
Energy: 1.2530650117360018
Energy: 1.2487636485725515
Energy: 1.4875899785585536
Energy: 1.2487636485769895
Energy: 1.2359719229556396
Energy: 1.2383178244224184
Energy: 1.7117357504652746
Energy: 1.238317824421309
Energy: 1.2432606703350166
Energy: 1.2510107944885052
Energy: 1.712539645283211
Energy: 1.2510107944973814
Energy: 1.506977058355514
Energy: 1.3135566593317434
Energy: 1.4950823589666558
Energy: 1.3135566593328531
Energy: 1.5089559958933265
Energy: 1.2414893827773668
Energy: 1.244775701591362
Energy: 1.2414893827740383
Energy: 1.4948374921827128
Energy: 1.2376628552163296
Energy: 1.2396326876422068
Energy: 1.23766285521522
Energy: 1.7053499932695146
Energy: 1.2388045816493465
Energy: 1.237668137962851
Energy: 1.2388045816449085

minimum gb energy = 1.2058568902681874 eV
minimum distance =  2.21798011535937 Angstroms
sigma value = 17


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

Energy: 2.0203477998201635
Energy: 1.2026854821180901
Energy: 1.4646223160495475
Energy: 1.2297144774694877
Energy: 1.2419471044025205
Energy: 1.2277413348570514
Energy: 1.398308248338893
Energy: 1.2277413348563655
Energy: 1.5559681091223996
Energy: 1.22218330392562
Energy: 1.425905199207335
Energy: 1.2221833039249341
Energy: 1.6048141673371372
Energy: 1.3011635996768218
Energy: 1.3839812742945437
Energy: 1.301163599672021
Energy: 1.3663608938730256
Energy: 1.2041481168186285
Energy: 1.6066419594980097
Energy: 1.2041481168186285
Energy: 1.2056240440055115
Energy: 1.2039030520978622
Energy: 1.554895258006929
Energy: 1.2039030520978622
Energy: 1.2054015007692491
Energy: 1.2030093484921838
Energy: 1.2450177420318922
Energy: 1.203009348490812
Energy: 1.2168036721334603
Energy: 1.2067521336062461
Energy: 1.5804465881440048
Energy: 1.2067521336069318
Energy: 1.5676479176710985
Energy: 1.2071508741340236
Energy: 1.5310385998741713
Energy: 1.2071508741347092
Energy: 1.429996824941074
Energy: 1.302753981089323
Energy: 1.4008504542569282
Energy: 1.3027539810865798
Energy: 1.5614027538746347
Energy: 1.223004633994764
Energy: 1.239116852902307
Energy: 1.223004633994078
Energy: 1.553433800384664
Energy: 1.2337485636428558
Energy: 1.3871060671854432
Energy: 1.2337485636421703
Energy: 1.5563099355723975
Energy: 1.223707335844584
Energy: 1.2243576828858869
Energy: 1.2237073358432125
Energy: 1.2256170428349065
Energy: 1.2230345312041981
Energy: 1.2264991963738197
Energy: 1.2230345312041981
Energy: 1.5964680965824363
Energy: 1.2269579266708666
Energy: 1.2307443756583734
Energy: 1.2269579266763528
Energy: 1.5819757487916766
Energy: 1.2241991006294746
Energy: 1.2286172077316069
Energy: 1.224199100634275
Energy: 1.2236737730233833
Energy: 1.2298512427590842
Energy: 1.596284504464323
Energy: 1.2298512427481119
Energy: 1.2231720878761876
Energy: 1.2228741896929334
Energy: 1.5691770881328515
Energy: 1.2228741896970479
Energy: 1.2291541391119005
Energy: 1.228314772667538
Energy: 1.5256508557164141
Energy: 1.2283147726709671
Energy: 1.225897603148915
Energy: 1.2231108666693382
Energy: 1.5805916617938636
Energy: 1.223110866670024
Energy: 1.4301087223757736
Energy: 1.2261929559340097
Energy: 1.225548771395316
Energy: 1.2261929559319522
Energy: 1.4266600102883178
Energy: 1.2284497993633003
Energy: 1.5958600907093046
Energy: 1.2284497993660435
Energy: 1.3846120445802845
Energy: 1.297241460296965
Energy: 1.5997482911906504
Energy: 1.297241460296965
Energy: 1.6068458659473266
Energy: 1.206227619335709
Energy: 1.3653282914649134
Energy: 1.206227619335709
Energy: 1.5540302001995554
Energy: 1.2030434523947358
Energy: 1.2036203972893136
Energy: 1.2030434523919926
Energy: 1.3872265256958454
Energy: 1.2051299493189798
Energy: 1.211583046472739
Energy: 1.2051299493203516
Energy: 1.5804616724728313
Energy: 1.2091480514627642
Energy: 1.2190176426693928
Energy: 1.2091480514627642
Energy: 1.3878823615454856
Energy: 1.2080533963394453
Energy: 1.5738329086688296
Energy: 1.2080533963415023
Energy: 1.3979342702156627
Energy: 1.3045605559861913
Energy: 1.4244392607759677
Energy: 1.3045605559889346
Energy: 1.2406982094169803
Energy: 1.2227081316369224
Energy: 1.558255068583638
Energy: 1.222708131631436
Energy: 1.3854366460735508
Energy: 1.2242305960072977
Energy: 1.5544349793822259
Energy: 1.224230596009355
Energy: 1.223279807700788
Energy: 1.2243510270882338
Energy: 1.55624047504008
Energy: 1.2243510270820617
Energy: 1.2228882024505696
Energy: 1.2219079669504656
Energy: 1.417949508533908
Energy: 1.2219079669518371
Energy: 1.2362474644178878
Energy: 1.2282417281970157
Energy: 1.601906492532839
Energy: 1.2282417281970157
Energy: 1.425664679227788
Energy: 1.2728243392363359
Energy: 1.5824840903369612
Energy: 1.2728243392342788
Energy: 1.8228915765130265
Energy: 1.234733800783617
Energy: 1.226785729703062
Energy: 1.2347338007843027
Energy: 1.5633626498210749
Energy: 1.2228476124396264
Energy: 1.2247158070968203
Energy: 1.2228476124403123
Energy: 1.531163107873768
Energy: 1.2330842698919924
Energy: 1.2242800300691477
Energy: 1.2330842698871916

minimum gb energy = 1.2026854821180901 eV
minimum distance =  2.21447913973106 Angstroms
sigma value = 89


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

Energy: 2.148113399219577
Energy: 1.1705667076933612
Energy: 1.1264489457924671
Energy: 1.125672345122293
Energy: 1.12176121184528
Energy: 1.2452500225761136
Energy: 1.125452623847726
Energy: 1.2452500225743193
Energy: 1.111354675019106
Energy: 1.246669575517881
Energy: 1.1565870702972267
Energy: 1.2466695755160866
Energy: 1.1145340791851883
Energy: 1.2477645719356876
Energy: 1.1231271329312174
Energy: 1.2477645719356876
Energy: 1.1226311075129338
Energy: 1.1239952603430174
Energy: 1.1454240478816402
Energy: 1.123995260341223
Energy: 1.122645525944848
Energy: 1.1221810500024303
Energy: 1.144795306880977
Energy: 1.1221810500024303
Energy: 1.1222304357846467
Energy: 1.1201666396974135
Energy: 1.1246454596255662
Energy: 1.1201666396956191
Energy: 1.1238729766666324
Energy: 1.1248099431209242
Energy: 1.110963920373895
Energy: 1.1248099431227183
Energy: 1.1268768414446573
Energy: 1.1237379601504687
Energy: 1.1109821148526746
Energy: 1.123737960152263
Energy: 1.1560896980779112
Energy: 1.2503963128763453
Energy: 1.1273416447531577
Energy: 1.250396312874551
Energy: 1.1247583337185323
Energy: 1.2383534717353573
Energy: 1.1099225857482822
Energy: 1.238353471733563
Energy: 1.1443499604683844
Energy: 1.1227985564240983
Energy: 1.1255413391712665
Energy: 1.1227985564240983
Energy: 1.1454864010524513
Energy: 1.126113328895476
Energy: 1.1231373100443869
Energy: 1.1261133288936818
Energy: 1.1241796814505651
Energy: 1.1195742399076707
Energy: 1.119524448418039
Energy: 1.1195742399076707
Energy: 1.1107097737552591
Energy: 1.1242794983132198
Energy: 1.1265985047695626
Energy: 1.1242794983132198

minimum gb energy = 1.1099225857482822 eV
minimum distance =  2.23435744597492 Angstroms
sigma value = 13


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

Energy: 1.9086817616818856
Energy: 1.0599862818519
Energy: 1.3563679124548258
Energy: 1.0687217091989314
Energy: 1.0709474579099247
Energy: 1.065742859668574
Energy: 1.2640970879663347
Energy: 1.0657428596730867
Energy: 1.0700197268849414
Energy: 1.0640644122149947
Energy: 1.2733596738789554
Energy: 1.0640644122255238
Energy: 1.4723126569810505
Energy: 1.0688180455824463
Energy: 1.2506463449697356
Energy: 1.068818045580942
Energy: 1.4565254255284532
Energy: 1.066162949823496
Energy: 1.270263541722542
Energy: 1.0661629498265044
Energy: 1.252008175658752
Energy: 1.0653075480008027
Energy: 1.2673986619701545
Energy: 1.0653075480150924
Energy: 1.271903131567505
Energy: 1.064636342438389
Energy: 1.2456877713371874
Energy: 1.0646363424353806
Energy: 1.2512081398145372
Energy: 1.064018393921017
Energy: 1.2830515669457827
Energy: 1.06401839391124
Energy: 1.0625777404153753
Energy: 1.0693235200552411
Energy: 1.2551716974658569
Energy: 1.069323520064266
Energy: 1.063270505826295
Energy: 1.0641070957916123
Energy: 1.2552246416928412
Energy: 1.0641070957923642
Energy: 1.066243860540193
Energy: 1.084663308862099
Energy: 1.909342389956102
Energy: 1.0846633088711242
Energy: 1.2450324032900046
Energy: 1.062630962885141
Energy: 1.25505365060995
Energy: 1.0626309628746118
Energy: 1.2703009664649196
Energy: 1.1346396334654951
Energy: 1.244424877813397
Energy: 1.1346396334669993
Energy: 1.4528932785651927
Energy: 1.139794265490268
Energy: 1.4714660076676331
Energy: 1.1397942654947804
Energy: 1.2825079909947414
Energy: 1.067026807807528
Energy: 1.4520047935320406
Energy: 1.067026807806776
Energy: 1.2553775068413577
Energy: 1.0663639066669506
Energy: 1.0691116788399762
Energy: 1.0663639066526611
Energy: 1.449595135817224
Energy: 1.063815463661695
Energy: 1.068966188874287
Energy: 1.0638154636421409
Energy: 1.069001281528508
Energy: 1.0633181139436405
Energy: 1.066508320009591
Energy: 1.063318113932359
Energy: 1.413347124044142
Energy: 1.0681859170188406
Energy: 1.2442544785249705
Energy: 1.0681859170286176
Energy: 1.2541854672505013
Energy: 1.0630344920572528
Energy: 1.2733878000910088
Energy: 1.0630344920595087
Energy: 1.4777189150029413
Energy: 1.0650297560413564
Energy: 1.2457693569289574
Energy: 1.065029756044365
Energy: 1.2542229592544665
Energy: 1.1555654420104358
Energy: 1.242743989482452
Energy: 1.1555654419976502
Energy: 1.2554046128620584
Energy: 1.067102059997458
Energy: 1.267969110571191
Energy: 1.0671020600034746
Energy: 1.0705496224796072
Energy: 1.0627304947203275
Energy: 1.4543407403600581
Energy: 1.062730494715815
Energy: 1.2481229240228913
Energy: 1.0655049446932219
Energy: 1.2827470555303766
Energy: 1.0655049446879574
Energy: 1.0658502342036722
Energy: 1.0629776750498114
Energy: 1.2796188914749853
Energy: 1.062977675035522
Energy: 1.0639894161399923
Energy: 1.062080401190278
Energy: 1.4586545429370257
Energy: 1.062080401189526
Energy: 1.0862787966572485
Energy: 1.070206540343518
Energy: 1.1121853104407196
Energy: 1.0702065403570555
Energy: 1.2432113746795164
Energy: 1.0675125950123245
Energy: 1.4145445631644367
Energy: 1.0675125950100681
Energy: 1.272408214890642
Energy: 1.1399554395582965
Energy: 1.243966954357169
Energy: 1.139955439553784
Energy: 1.2460515431919608
Energy: 1.1339890573065061
Energy: 1.4792717213687683
Energy: 1.133989057314779
Energy: 1.2560740946826057
Energy: 1.0657625021247314
Energy: 1.2439456584854809
Energy: 1.065762502136765
Energy: 1.2837367182425246
Energy: 1.067601913876892
Energy: 1.0897011467699
Energy: 1.067601913876892
Energy: 1.4562525513867757
Energy: 1.0622770368455852
Energy: 1.0640304128812106
Energy: 1.062277036852354
Energy: 1.4133255632566917
Energy: 1.0657577611488165
Energy: 1.0710077098281472
Energy: 1.0657577611488165

minimum gb energy = 1.0599862818519 eV
minimum distance =  2.2259171737373 Angstroms
sigma value = 37


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

Energy: 1.8678777249522895
Energy: 0.9907672764866736
Energy: 1.0008646724887302
Energy: 1.0017556045441516
Energy: 1.4572308767619004
Energy: 1.0014742325661548
Energy: 1.3281527787675136
Energy: 1.0014742325648611
Energy: 1.45797610956893
Energy: 0.9995601060109238
Energy: 1.3214912206496403
Energy: 0.999560106008336
Energy: 1.4576165092252178
Energy: 1.133183391012954
Energy: 1.2964118905410973
Energy: 1.1331833910103661
Energy: 1.6010249179687914
Energy: 0.9842180735477981
Energy: 1.46459642242235
Energy: 0.9842180735465043
Energy: 1.293657713351187
Energy: 0.9843691294490374
Energy: 1.484254820889014
Energy: 0.9843691294490374
Energy: 1.151391049852677
Energy: 0.9831912718432221
Energy: 1.5974985800283652
Energy: 0.983191271844516
Energy: 1.281468293701382
Energy: 0.9720656126775427
Energy: 1.4984159010052267
Energy: 0.9720656126749548
Energy: 1.1338555790565483
Energy: 0.9779331517170937
Energy: 1.469149932693201
Energy: 0.9779331517170937
Energy: 1.1334917570692367
Energy: 0.9675368550859736
Energy: 1.5927374511048742
Energy: 0.9675368550846798
Energy: 1.1809731496053828
Energy: 1.181539851391467
Energy: 1.6789451051217352
Energy: 1.1815398513927609
Energy: 1.4468167254672073
Energy: 0.9674796674738456
Energy: 1.5924732575315075
Energy: 0.9674796674725518
Energy: 1.4456611573378977
Energy: 0.9669563599275703
Energy: 1.4578684707431562
Energy: 0.9669563599249824
Energy: 1.6009342578215198
Energy: 1.095568303237792
Energy: 1.4573343629333289
Energy: 1.0955683032352046
Energy: 1.46459642242235
Energy: 1.1159740521047057
Energy: 1.596301723861737
Energy: 1.1159740521047057
Energy: 1.4842548208967778
Energy: 1.1139177343942541
Energy: 0.9768124435821579
Energy: 1.1139177343942541
Energy: 1.6018321552005503
Energy: 1.0973664807489212
Energy: 1.1513313955288522
Energy: 1.0973664807502153
Energy: 1.4984159007568791
Energy: 1.0002833249970042
Energy: 0.9684667552183543
Energy: 1.0002833249970042
Energy: 1.4691499326970825
Energy: 1.0055157512681718
Energy: 0.9999014019865208
Energy: 1.0055157512642898
Energy: 1.6006184820334026
Energy: 1.0015547252711934
Energy: 1.013095186393983
Energy: 1.001554725273781

minimum gb energy = 0.9669563599249824 eV
minimum distance =  2.22370814011731 Angstroms
sigma value = 25


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

Energy: 1.9917411705399521
Energy: 0.8829778681259985
Energy: 1.2126047685454686
Energy: 0.8735742980610742
Energy: 1.3846418357968135
Energy: 0.8710579360657882
Energy: 1.128014760780139
Energy: 0.871057936067809
Energy: 1.8003015349054323
Energy: 0.8695267471131435
Energy: 1.1329724148131692
Energy: 0.8695267471101122
Energy: 1.4055325436019883
Energy: 0.8719229343779468
Energy: 1.1282691643545681
Energy: 0.871922934375926
Energy: 1.4064616952100302
Energy: 0.9742627383190068
Energy: 1.5956704805075725
Energy: 0.9742627383159757
Energy: 1.384810984864123
Energy: 0.9725779423529353
Energy: 1.5962318630236838
Energy: 0.9725779423519247
Energy: 1.3887094931034927
Energy: 0.9746367262438006
Energy: 1.5971613397193627
Energy: 0.974636726244811
Energy: 1.1276658954474998
Energy: 0.877217612528
Energy: 1.590360264846417
Energy: 0.8772176125290104
Energy: 1.1328017628319897
Energy: 0.8693944448281347
Energy: 1.595676057969052
Energy: 0.8693944448251035
Energy: 1.1351086079531818
Energy: 0.8710093019929097
Energy: 1.5959926294693498
Energy: 0.871009301990889
Energy: 0.871193482260218
Energy: 0.8769329960605249
Energy: 1.698481078336745
Energy: 0.8769329960615354
Energy: 0.8764656199411299
Energy: 0.8706476070346263
Energy: 1.5965868866751805
Energy: 0.8706476070346263
Energy: 0.8724698020330998
Energy: 0.8692220351459067
Energy: 1.3848010817178145
Energy: 0.8692220351448964
Energy: 0.894564037921195
Energy: 0.8700818530154577
Energy: 1.79135669165269
Energy: 0.8700818530164681
Energy: 1.1331817780331035
Energy: 0.869159988507491
Energy: 1.8030533509248161
Energy: 0.8691599885054702
Energy: 1.1354560118827293
Energy: 0.871497580106507
Energy: 1.7959850067522791
Energy: 0.8714975801085277
Energy: 1.4094887694083778
Energy: 0.8728557143243972
Energy: 1.796569089849307
Energy: 0.8728557143243972
Energy: 1.1370138323183887
Energy: 0.9793194102587022
Energy: 1.596161578737041
Energy: 0.9793194102566813
Energy: 1.5952786390248888
Energy: 0.974101557158538
Energy: 1.3891176756942294
Energy: 0.9741015571575276
Energy: 1.5972643922585017
Energy: 0.9732802563210712
Energy: 1.3852680985054604
Energy: 0.9732802563190504
Energy: 1.701007098351223
Energy: 0.8748691499200794
Energy: 1.1287235398493114
Energy: 0.8748691499231105
Energy: 1.5997120346674747
Energy: 0.8684375374742537
Energy: 0.8705101833081336
Energy: 0.8684375374742537
Energy: 1.5943568727585586
Energy: 0.8740915998522235
Energy: 1.1281061836772712
Energy: 0.8740915998522235
Energy: 1.5888857691474922
Energy: 0.8743625209965494
Energy: 0.8716794730934226
Energy: 0.8743625209985703
Energy: 1.600314160075228
Energy: 0.8693012309896233
Energy: 0.8703380342616154
Energy: 0.8693012309876026
Energy: 1.7910477409418237
Energy: 0.8723191916387224
Energy: 0.8783097064193527
Energy: 0.872319191637712

minimum gb energy = 0.8684375374742537 eV
minimum distance =  2.23661385441665 Angstroms
sigma value = 41


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

Energy: 2.184061782200471
Energy: 0.8108106996962217
Energy: 1.156949825796758
Energy: 0.7971169413200024
Energy: 1.5902248103066596
Energy: 0.7946788875230189
Energy: 1.0084285297981055
Energy: 0.794678887525504
Energy: 1.9323059567403982
Energy: 0.7928528212243039
Energy: 1.0160248001218952
Energy: 0.7928528212259606
Energy: 1.5832355720624796
Energy: 0.796596888791104
Energy: 1.2509287878294644
Energy: 0.7965968887902757
Energy: 1.6005963218906514
Energy: 0.7905536588978193
Energy: 1.4142194545724345
Energy: 0.7905536588961625
Energy: 1.5880196261477724
Energy: 0.792455084343789
Energy: 1.4084993990135366
Energy: 0.792455084337162
Energy: 1.5942288057714178
Energy: 0.8817033105662614
Energy: 1.6003444921854924
Energy: 0.8817033105662614
Energy: 1.4094750425377722
Energy: 0.8842710293585136
Energy: 1.4150679294686657
Energy: 0.8842710293601702
Energy: 1.2263807464490268
Energy: 0.7941521054062121
Energy: 1.7608840746729661
Energy: 0.7941521054028988
Energy: 1.225613313036105
Energy: 0.7908197886534708
Energy: 1.7593477671574678
Energy: 0.7908197886584408
Energy: 1.009866672146155
Energy: 0.7989795737885775
Energy: 1.7551015854742937
Energy: 0.7989795737819506
Energy: 1.0110337123378783
Energy: 0.7915710751481491
Energy: 1.758231070797134
Energy: 0.7915710751531192
Energy: 1.0106621243124954
Energy: 0.7953767845221527
Energy: 1.756028451631052
Energy: 0.795376784522981
Energy: 0.7933213413618051
Energy: 0.7980394266253327
Energy: 1.7527607201112443
Energy: 0.7980394266245043
Energy: 0.7953955585530453
Energy: 0.7933253825384999
Energy: 1.7614005826048325
Energy: 0.7933253825434701
Energy: 0.8012345475262747
Energy: 0.7949738964579703
Energy: 1.9324393075506368
Energy: 0.7949738964538285
Energy: 1.0212158295846665
Energy: 0.7984173502619386
Energy: 1.9200534220761263
Energy: 0.7984173502635954
Energy: 1.0120177982181415
Energy: 0.790949053332028
Energy: 1.9285140325717804
Energy: 0.790949053332028
Energy: 1.0124903877328808
Energy: 0.7968953504616535
Energy: 1.5914945879577882
Energy: 0.7968953504624819
Energy: 1.4131016836198407
Energy: 0.7942935907968307
Energy: 1.5879339248815647
Energy: 0.7942935907976592
Energy: 1.420871002255911
Energy: 0.7922244653304013
Energy: 1.757813554702258
Energy: 0.7922244653337146
Energy: 1.413824314067066
Energy: 0.8794666347319522
Energy: 1.5987476725585517
Energy: 0.8794666347278104
Energy: 1.761245006957349
Energy: 0.8765707938712558
Energy: 1.5863691931424961
Energy: 0.8765707938704275
Energy: 1.4153411448496642
Energy: 0.8800960274773728
Energy: 1.4116706707732263
Energy: 0.8800960274806864
Energy: 1.7604121734260216
Energy: 0.7922638274632885
Energy: 1.2297662333519652
Energy: 0.7922638274649451
Energy: 1.760471072090142
Energy: 0.7936501500908036
Energy: 1.4086487512814574
Energy: 0.7936501500949454
Energy: 1.768370970984283
Energy: 0.7972325702627622
Energy: 1.0252415276840876
Energy: 0.7972325702619338
Energy: 1.9284850158724829
Energy: 0.791571427097792
Energy: 1.0112856962256065
Energy: 0.7915714270936502
Energy: 1.753769205680019
Energy: 0.7974908374136315
Energy: 1.0201787132253741
Energy: 0.7974908374119748
Energy: 1.761218909576908
Energy: 0.795677029116415
Energy: 0.794874657229917
Energy: 0.7956770291147582
Energy: 1.9283345152699187
Energy: 0.7933695294047793
Energy: 0.7943995946840375
Energy: 0.7933695294056078
Energy: 1.9194605635334787
Energy: 0.8016172100572025
Energy: 0.808043981729096
Energy: 0.8016172100638295

minimum gb energy = 0.7905536588961625 eV
minimum distance =  2.23953831099529 Angstroms
sigma value = 15


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

Energy: 1.9986604403788848
Energy: 0.7592825751010145
Energy: 1.1195261686701805
Energy: 0.7453463132112286
Energy: 1.797590115828344
Energy: 0.7391710477051574
Energy: 0.9277996306711079
Energy: 0.7391710477156196
Energy: 1.948481546566981
Energy: 0.737755799256473
Energy: 0.9281591575179863
Energy: 0.7377557992473505
Energy: 1.7959707460616492
Energy: 0.7466985796492551
Energy: 1.282835393231106
Energy: 0.7466985796443429
Energy: 1.7404495438589296
Energy: 0.7355294327881164
Energy: 1.269129272417626
Energy: 0.7355294328049581
Energy: 1.8062215340160457
Energy: 0.7359276143289866
Energy: 1.2673852765236104
Energy: 0.73592761433039
Energy: 1.5030436726632257
Energy: 0.7369886050281519
Energy: 1.5827996731829108
Energy: 0.7369886050463968
Energy: 1.5908621397596188
Energy: 0.8158360277609691
Energy: 1.350401106671594
Energy: 0.8158360277553552
Energy: 1.5009828930290023
Energy: 0.8089607381469565
Energy: 1.5763624460689738
Energy: 0.8089607381644999
Energy: 1.4985847700322188
Energy: 0.7384512158858917
Energy: 1.8719047530850481
Energy: 0.7384512159286974
Energy: 1.2800188448276208
Energy: 0.7375602149661676
Energy: 1.6492181836997135
Energy: 0.7375602149598519
Energy: 1.1861586059178055
Energy: 0.7341197054556883
Energy: 1.871772271911248
Energy: 0.7341197054472675
Energy: 1.2679332948397712
Energy: 0.7354639338744002
Energy: 1.9473841629276072
Energy: 0.735463933861769
Energy: 0.9208334384177086
Energy: 0.7329927989997436
Energy: 1.6639411623182185
Energy: 0.7329927990046556
Energy: 0.9150055775069525
Energy: 0.7346722620583493
Energy: 1.7284194338141814
Energy: 0.7346722620646651
Energy: 0.9153656291157903
Energy: 0.7331650586407572
Energy: 1.9493565115009746
Energy: 0.733165058641459
Energy: 0.8409476024844368
Energy: 0.7364915016787937
Energy: 1.9376701322835157
Energy: 0.7364915016794954
Energy: 0.8242064079297227
Energy: 0.7333796857169071
Energy: 2.0111716100966213
Energy: 0.7333796857176089
Energy: 0.8435364407950614
Energy: 0.73773429808377
Energy: 1.7346521713247232
Energy: 0.7377342980753493
Energy: 1.0252367720706175
Energy: 0.7356655603126862
Energy: 2.0248952544543988
Energy: 0.7356655603098793
Energy: 1.0090403581969196
Energy: 0.7333969751068379
Energy: 2.0098656948232807
Energy: 0.7333969751152587
Energy: 1.027711053593828
Energy: 0.7364129112134759
Energy: 1.8144093643410217
Energy: 0.736412911221195
Energy: 1.2517782019215478
Energy: 0.732271067162398
Energy: 1.8007971787653307
Energy: 0.7322710671588893
Energy: 1.2637060197177352
Energy: 0.734997759987132
Energy: 1.724568501034915
Energy: 0.7349977599562557
Energy: 1.2655547491350925
Energy: 0.7338943226002158
Energy: 1.5105850710690176
Energy: 0.7338943225756552
Energy: 1.580415368639602
Energy: 0.8078985352733639
Energy: 1.724244924700859
Energy: 0.8078985352761707
Energy: 1.3446008891865917
Energy: 0.8083216707291752
Energy: 1.5755178002558397
Energy: 0.8083216707221579
Energy: 1.5884106926646337
Energy: 0.8148148815287809
Energy: 1.510998462446515
Energy: 0.814814881395515
Energy: 1.6593971537389023
Energy: 0.8152562768465874
Energy: 1.5205328691987094
Energy: 0.8152562768374648
Energy: 1.6534347058214915
Energy: 0.7363555875793217
Energy: 1.2681660194909068
Energy: 0.7363555875687957
Energy: 1.7383729612301841
Energy: 0.7352325614067653
Energy: 1.1859479491682465
Energy: 0.7352325614151862
Energy: 1.6651776165424204
Energy: 0.7432273092933506
Energy: 1.28202477465203
Energy: 0.7432273093010696
Energy: 1.9492316828914211
Energy: 0.7385986822127665
Energy: 0.9296281103082139
Energy: 0.7385986822106613
Energy: 1.8746654673857805
Energy: 0.7377879966393122
Energy: 0.9271421848478396
Energy: 0.7377879966351018
Energy: 1.93792875145713
Energy: 0.7452349760933794
Energy: 0.7621354005350852
Energy: 0.7452349760933794
Energy: 1.8004495691654898
Energy: 0.7388217283526356
Energy: 0.7454339570113178
Energy: 0.7388217283610565
Energy: 1.9448598135179387
Energy: 0.739138854773491
Energy: 0.7472014250459225
Energy: 0.7391388547692805

minimum gb energy = 0.7322710671588893 eV
minimum distance =  2.23568461967842 Angstroms
sigma value = 85


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

Energy: 2.023584982507584
Energy: 0.7002979197188
Energy: 0.6628226446480041
Energy: 0.6641826748930608
Energy: 1.8098573628200312
Energy: 0.6645574409611785
Energy: 0.8261711207412019
Energy: 0.6645574409593525
Energy: 1.8089819165257324
Energy: 0.6641243110891121
Energy: 0.8324795961216928
Energy: 0.6641243110878948
Energy: 1.5374223255901869
Energy: 0.6624640528971284
Energy: 1.1317470033240165
Energy: 0.6624640528989543
Energy: 1.8186272917282396
Energy: 0.6617101093454238
Energy: 1.131615254651408
Energy: 0.6617101093460324
Energy: 1.5410663584567714
Energy: 0.6628636602258454
Energy: 1.1335255951679306
Energy: 0.6628636602270627
Energy: 1.5390410923162445
Energy: 0.6633409326798917
Energy: 1.408094208014078
Energy: 0.6633409326786744
Energy: 1.679284521450225
Energy: 0.66165419288956
Energy: 1.1295823165222145
Energy: 0.6616541928871255
Energy: 1.542249164160073
Energy: 0.6631672994717638
Energy: 1.4089730252612649
Energy: 0.6631672994717638
Energy: 1.545672952478442
Energy: 0.7849471757384404
Energy: 1.676845465472944
Energy: 0.7849471757353974
Energy: 1.40826820768942
Energy: 0.7844377560685366
Energy: 1.40537456321625
Energy: 0.7844377560673195
Energy: 1.273340044821661
Energy: 0.6619013954838587
Energy: 1.6779916513076387
Energy: 0.661901395485076
Energy: 1.4068128804174518
Energy: 0.6619274185904302
Energy: 1.6759885817449278
Energy: 0.6619274186062541
Energy: 1.1317247202935499
Energy: 0.6640743766346403
Energy: 1.4023473926473538
Energy: 0.6640743766352489
Energy: 0.9816048899678228
Energy: 0.6618096971679471
Energy: 1.9359376362424927
Energy: 0.6618096971703816
Energy: 1.1314940472371653
Energy: 0.6651792961657989
Energy: 1.676160591266419
Energy: 0.6651792961645817
Energy: 0.8288738234425693
Energy: 0.662245059760446
Energy: 1.6724196300745127
Energy: 0.662245059760446
Energy: 0.8230224668893953
Energy: 0.6620467500021092
Energy: 1.817882595377662
Energy: 0.6620467500015006
Energy: 0.8263250852037963
Energy: 0.662010649775555
Energy: 1.9297034455504547
Energy: 0.6620106497749464
Energy: 0.6644922939953576
Energy: 0.6628938735245732
Energy: 1.929698624497079
Energy: 0.6628938735245732
Energy: 0.6633010077155188
Energy: 0.6627122875881035
Energy: 1.9388953331953054
Energy: 0.662712287588712
Energy: 0.6626821258004937
Energy: 0.6629863546033443
Energy: 1.802973466205089
Energy: 0.6629863546045616
Energy: 0.8344981931890024
Energy: 0.6656559247965878
Energy: 2.0536300701180576
Energy: 0.6656559247977774
Energy: 0.8260218047581006
Energy: 0.6620697921703247
Energy: 1.9380399887483013
Energy: 0.6620697921709333
Energy: 0.826629923488772
Energy: 0.6622639656390433
Energy: 1.5380970364699316
Energy: 0.6622639656390433
Energy: 1.1317235270234585
Energy: 0.6625900747440776
Energy: 2.058627840694253
Energy: 0.6625900747446862
Energy: 1.1307497532632838
Energy: 0.6620515086500756
Energy: 1.810616406593974
Energy: 0.6620515086494668
Energy: 1.3003711435965242
Energy: 0.6648431993196607
Energy: 1.5399351835901436
Energy: 0.6648431993184435
Energy: 1.4111745336953307
Energy: 0.6618830090965158
Energy: 1.8184199575153728
Energy: 0.6618830091001674
Energy: 1.407682580344189
Energy: 0.6632233772836003
Energy: 1.542662383120992
Energy: 0.66322337727934
Energy: 1.6837919610092147
Energy: 0.7854298797499372
Energy: 1.2701091124837272
Energy: 0.7854298797511543
Energy: 1.4047241521238663
Energy: 0.7857462926644527
Energy: 1.5610009283095077
Energy: 0.7857462926668872
Energy: 1.6785622014614316
Energy: 0.663342532742635
Energy: 1.2678139963182766
Energy: 0.6633425326909302
Energy: 1.8213743030000722
Energy: 0.6615996409453528
Energy: 1.2686856955551407
Energy: 0.6615996409447443
Energy: 1.4031494350682496
Energy: 0.6651993004818237
Energy: 1.1318539645053598
Energy: 0.6651993004818237
Energy: 1.9386666037774545
Energy: 0.6618858797118933
Energy: 1.1308002720982935
Energy: 0.6618858797124741
Energy: 1.9324926756543805
Energy: 0.6628438377773878
Energy: 1.1318335101426105
Energy: 0.6628438377731274
Energy: 1.6733475229377666
Energy: 0.6622541368527263
Energy: 0.8268188311086725
Energy: 0.662254136853335
Energy: 1.9380226973368793
Energy: 0.6618990922603465
Energy: 0.8256804614535564
Energy: 0.6618990922591292
Energy: 1.9297303925519733
Energy: 0.6653370852634112
Energy: 0.8266837844154101
Energy: 0.6653370852628026
Energy: 1.6712964593987658
Energy: 0.6631198588333045
Energy: 0.6627842433223133
Energy: 0.6631198588339131
Energy: 1.9388569886854898
Energy: 0.6625401001095447
Energy: 0.6627600510467591
Energy: 0.6625401001089359
Energy: 1.8028914102532345
Energy: 0.6623790802184522
Energy: 0.6624327401815432
Energy: 0.6623790802178436

minimum gb energy = 0.6615996409447443 eV
minimum distance =  2.23998145160645 Angstroms
sigma value = 113


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

Energy: 0.020486645654990476
Energy: 0.021176750803698536
Energy: 1.5884779464167194
Energy: 0.5989354336884866
Energy: 0.02146506956125426
Energy: 0.167948101564479
Energy: 1.152864319106691
Energy: 0.16794810156583062
Energy: 0.021231143264035558
Energy: 0.16539280578959656
Energy: 1.149985825773742
Energy: 0.16539280578866083
Energy: 0.023180701921518033
Energy: 0.166724346822706
Energy: 1.1464899381589462
Energy: 0.1667243468208865
Energy: 1.151502290002428
Energy: 0.1675468894234145
Energy: 1.1508360837223164
Energy: 0.16754688942611776
Energy: 0.021163544621703445
Energy: 0.1651188315830497
Energy: 1.1498989458077076
Energy: 0.16511883158123022

minimum gb energy = 0.020486645654990476 eV
minimum distance =  2.45652953117965 Angstroms
sigma value = 1