Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.608429037034512
cohesive_energy=4.2554470964142315
mass=55.845
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=[1.82683384161948e-19, 2.67023564352342e-19, 3.2946038777932195e-19, 3.80467283099346e-19, 4.23421638656886e-19, 4.60247668589376e-19, 4.92179048904996e-19, 5.200665353964e-19, 5.44528568244312e-19, 5.660361873791279e-19, 5.84953086896766e-19, 6.01572465121248e-19, 6.161827138466939e-19, 6.290497943943479e-19, 6.40196137237086e-19, 6.49737099092556e-19, 6.57815273681184e-19, 6.645556307804219e-19, 6.70060709694846e-19, 6.744202323159599e-19, 6.77706296592294e-19, 6.79984591765842e-19, 6.813127961954279e-19, 6.817437817099739e-19, 6.81280752662748e-19, 6.797875240398599e-19, 6.7708304988166795e-19, 6.72955842872484e-19, 6.67155963457404e-19, 6.59382202429236e-19, 6.4927407004533e-19, 6.36398978614506e-19, 6.20231414200812e-19, 6.00128903974014e-19, 5.753079835600859e-19, 5.4479613174219e-19, 5.07386909514924e-19, 4.6156305560589e-19, 4.05401958054288e-19, 3.36447480080196e-19, 2.5151129018195396e-19, 1.464214806222894e-19, 1.562311274992812e-20, -1.4837982112202759e-19, -3.5591713053656397e-19, -6.21734255883504e-19, -9.688586410526759e-19, -1.436152682478384e-18, -2.09426916536676e-18, -3.0829082791428e-18, -4.70581707878676e-18, -7.6987791616968e-18, -1.407259029060828e-17, -3.0048502335343197e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016472974146502735
Energy: 0.1075338443762056
Energy: 1.1283985559440417
Energy: 0.0168709618025756
Energy: 0.1075338443762056
Energy: 1.2858664268745916
Energy: 0.10753384437680015
Energy: 1.2858664268752211
Energy: 1.1283985559440417
Energy: 0.10753384437498158
Energy: 0.016472974146502735
Energy: 0.1075338443762056
Energy: 0.0168709618025756
Energy: 1.2858664268733675
Energy: 0.10753384437680015
Energy: 1.2858664268733675

minimum gb energy = 0.016472974146502735 eV
minimum distance =  2.49980727373484 Angstroms
sigma value = 1


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

Energy: 1.0968522896610113
Energy: 0.9184823247697158
Energy: 0.9205875879076462
Energy: 0.8532546917656744
Energy: 0.9088228964495196
Energy: 0.9373986940638402
Energy: 0.908727468865592
Energy: 0.9373986940630766
Energy: 0.9189973821185372
Energy: 0.9088046716479994
Energy: 1.0058518308527782
Energy: 0.908804671648763
Energy: 1.0190264126991109
Energy: 0.9105525923531219
Energy: 0.9086442736262255
Energy: 0.9105525923538854
Energy: 1.0073230764498893
Energy: 0.9833774757320551
Energy: 0.9108224656728515
Energy: 0.9833774757320551
Energy: 1.0191250849712583
Energy: 1.0535279340926578
Energy: 0.9295745166633224
Energy: 1.0535279340926578
Energy: 1.0157054946037838
Energy: 1.05868792054881
Energy: 1.0058294035862392
Energy: 1.0586879205480464
Energy: 1.0056890728272734
Energy: 1.0732706123661244
Energy: 1.0032732203598977
Energy: 1.0732706123653613
Energy: 1.032182392450686
Energy: 1.1330247970685652
Energy: 1.0312627233705338
Energy: 1.1330247970685652
Energy: 1.0048233499019061
Energy: 1.0813413820626039
Energy: 1.003220800871291
Energy: 1.0813413820626039
Energy: 1.0026703604708493
Energy: 1.1317649417799924
Energy: 1.0305766398495855
Energy: 1.1317649417799924
Energy: 1.0022411881379814
Energy: 1.1335392911209106
Energy: 1.0076228725971164
Energy: 1.1335392911209106
Energy: 1.0173162117420145
Energy: 1.0581375054064495
Energy: 1.00260660203037
Energy: 1.0581375054064495
Energy: 1.0186357043829806
Energy: 1.058373485123335
Energy: 1.0000060762252792
Energy: 1.0583734851240982
Energy: 1.0058756655722099
Energy: 0.9114447720204546
Energy: 0.9101862223807387
Energy: 0.9114447720196911
Energy: 0.9258511422324117
Energy: 0.9104921049557451
Energy: 0.9089013467407303
Energy: 0.9104921049542182
Energy: 0.9079434988238025
Energy: 0.906766984351996
Energy: 1.0017396477324298
Energy: 0.9067669843512324
Energy: 0.9086358691393361
Energy: 0.9101765641717351
Energy: 1.0327921606089525
Energy: 0.9101765641709717
Energy: 1.0059972865803228
Energy: 0.9106674651896987
Energy: 0.9103390150167029
Energy: 0.9106674651896987
Energy: 1.0207352967212546
Energy: 0.9100994617705683
Energy: 0.9413552477501355
Energy: 0.9100994617720952
Energy: 0.9100592713260548
Energy: 0.9103598077580984
Energy: 1.0071282656099685
Energy: 0.9103598077580984
Energy: 0.9290788330520601
Energy: 0.9106313449565512
Energy: 1.019138790267808
Energy: 0.9106313449573146
Energy: 1.0050939986031957
Energy: 1.0579827679367373
Energy: 1.014124500221631
Energy: 1.0579827679367373
Energy: 1.0033632005213176
Energy: 1.0590573621905317
Energy: 1.0031410512719616
Energy: 1.0590573621905317
Energy: 1.0324666612450373
Energy: 1.1326112147908705
Energy: 1.0320332786052595
Energy: 1.132611214791634
Energy: 1.0055427114948787
Energy: 1.134637293368906
Energy: 1.0067257372704084
Energy: 1.134637293368906
Energy: 1.030740968221075
Energy: 1.1331943756232685
Energy: 1.0023384107744187
Energy: 1.1331943756232685
Energy: 1.0046584215267316
Energy: 1.1320262009065925
Energy: 1.002753401897193
Energy: 1.1320262009073558
Energy: 1.0024617512782417
Energy: 1.056428920540487
Energy: 1.019017610556081
Energy: 1.0564289205397235
Energy: 0.9998884654496025
Energy: 1.0563647276329682
Energy: 1.0185529316932533
Energy: 1.0563647276322048
Energy: 0.9105849080707643
Energy: 0.9106436082582858
Energy: 1.0053829299695514
Energy: 0.9106436082575223
Energy: 0.9090124100312846
Energy: 0.9105455808768536
Energy: 0.9995521411822201
Energy: 0.9105455808776171
Energy: 1.0015797988842607
Energy: 0.9061083571177291
Energy: 0.9066071503440644
Energy: 0.9061083571184926

minimum gb energy = 0.8532546917656744 eV
minimum distance =  2.25405341969736 Angstroms
sigma value = 1


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

Energy: 2.035854781118411
Energy: 0.9700417356562882
Energy: 0.9704773398164972
Energy: 0.8960151140242042
Energy: 0.9622644008839182
Energy: 0.9880659855548048
Energy: 0.9623812069213353
Energy: 0.9880659855548048
Energy: 0.9694099671091082
Energy: 0.9561922188606421
Energy: 1.0758049534725849
Energy: 0.9561922188632536
Energy: 0.9969220967787054
Energy: 0.9644799985417373
Energy: 0.9626072479152009
Energy: 0.9644799985347734
Energy: 1.0724617576199273
Energy: 1.0428859135072412
Energy: 0.9621111612552465
Energy: 1.042885913510723
Energy: 1.0873252531487947
Energy: 1.1674266224051495
Energy: 0.983558121700699
Energy: 1.16742662240602
Energy: 1.086035382149936
Energy: 1.1319457502956896
Energy: 1.105957509687938
Energy: 1.1319457502956896
Energy: 1.0674812617944565
Energy: 1.1482600624176573
Energy: 1.07136617139141
Energy: 1.1482600624150459
Energy: 1.0715919286673368
Energy: 1.205978841314165
Energy: 1.0714145986805441
Energy: 1.205978841312424
Energy: 1.0725112574651565
Energy: 1.2070357070966142
Energy: 1.068274070918027
Energy: 1.2070357070948736
Energy: 1.0707310721242647
Energy: 1.1308511391121714
Energy: 1.0539235840913528
Energy: 1.1308511391130418
Energy: 1.0674756963265275
Energy: 1.132438387532049
Energy: 1.0879365350737087
Energy: 1.1324383875346604
Energy: 0.9628628524554944
Energy: 0.962312601021569
Energy: 1.0731860860982656
Energy: 0.962312601021569
Energy: 0.9619413743743603
Energy: 0.9641134243224793
Energy: 0.9803992189642288
Energy: 0.9641134243224793
Energy: 1.0703470236785988
Energy: 0.9554023589890198
Energy: 0.9571737699724069
Energy: 0.9554023589890198
Energy: 1.1020923483409528
Energy: 0.9634828723990774
Energy: 0.9621735404153459
Energy: 0.9634828723955955
Energy: 0.9595076866246179
Energy: 0.9606521631418444
Energy: 1.0756421380471988
Energy: 0.9606521631392331
Energy: 0.996821317689078
Energy: 0.9968805867878343
Energy: 1.055074100100838
Energy: 0.996880586785223
Energy: 1.0725065945660293
Energy: 0.9637409005489467
Energy: 0.9631122302621744
Energy: 0.9637409005454649
Energy: 1.087315934113127
Energy: 0.9646226517504505
Energy: 0.9637206653524316
Energy: 0.9646226517504505
Energy: 1.0551458066412673
Energy: 1.1959745420652468
Energy: 1.07195905072246
Energy: 1.195974542067858
Energy: 1.067306735077176
Energy: 1.1339644963717863
Energy: 1.0715812101716196
Energy: 1.1339644963700455
Energy: 1.070131740842694
Energy: 1.2058249380098784
Energy: 1.1393101978911977
Energy: 1.2058249380063966
Energy: 1.0718815146332095
Energy: 1.2086189454366605
Energy: 1.069425408045868
Energy: 1.2086189454375307
Energy: 1.0700598053279815
Energy: 1.1310706358771594
Energy: 1.0863782835091467
Energy: 1.1310706358797709
Energy: 1.0675218938783493
Energy: 1.1322087947555401
Energy: 1.0872858328554853
Energy: 1.132208794757281
Energy: 0.9625148767631582
Energy: 0.96243117269202
Energy: 1.073725960385094
Energy: 0.9624311726946315
Energy: 0.9622460378428156
Energy: 0.9634447722674857
Energy: 1.068629292518461
Energy: 0.9634447722666153
Energy: 1.070069008255004
Energy: 0.9547748767377582
Energy: 0.955562914886512
Energy: 0.9547748767351468

minimum gb energy = 0.8960151140242042 eV
minimum distance =  2.25136272819963 Angstroms
sigma value = 25


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

Energy: 1.9160145484576847
Energy: 1.0278386897268936
Energy: 1.0279022925778256
Energy: 0.9442988072644537
Energy: 1.025577490010438
Energy: 1.0446587323449175
Energy: 1.0259665963982685
Energy: 1.0446587323449175
Energy: 1.0262247972998881
Energy: 1.0116212076808515
Energy: 1.1554508577153044
Energy: 1.0116212076808515
Energy: 1.0623804053444226
Energy: 1.0261972576003175
Energy: 1.025435721263582
Energy: 1.0261972576013294
Energy: 1.156439231073237
Energy: 1.1134340168849262
Energy: 1.0254326146810664
Energy: 1.1134340168849262
Energy: 1.1712175911739746
Energy: 1.23586246804336
Energy: 1.025648118485166
Energy: 1.2358624680423482
Energy: 1.1390585315855108
Energy: 1.2798373890342272
Energy: 1.139212272845712
Energy: 1.2798373890352392
Energy: 1.1499883395261568
Energy: 1.2214429071657864
Energy: 1.1513296775232251
Energy: 1.2214429071647745
Energy: 1.13734816157409
Energy: 1.2773639657174631
Energy: 1.1519885145912023
Energy: 1.2773639657174631
Energy: 1.172046352643668
Energy: 1.2770008048931207
Energy: 1.1302706280627284
Energy: 1.2770008048921087
Energy: 1.1502531367410602
Energy: 1.0265083006652975
Energy: 1.0254133010377782
Energy: 1.0265083006642857
Energy: 1.045884483508128
Energy: 1.026182271265794
Energy: 1.0669647038369243
Energy: 1.026182271265794
Energy: 1.0120672454931936
Energy: 1.0105743670679648
Energy: 1.1544365487460895
Energy: 1.0105743670679648
Energy: 1.025519221382198
Energy: 1.0631551743618899
Energy: 1.186950607767208
Energy: 1.0631551743629017
Energy: 1.161441328370884
Energy: 1.0107705440374826
Energy: 1.0170420068656043
Energy: 1.0107705440364707
Energy: 1.1733704933704114
Energy: 1.062312656507285
Energy: 1.062478602444209
Energy: 1.062312656507285
Energy: 1.0269385992981916
Energy: 1.1137276215103522
Energy: 1.1563422508268881
Energy: 1.1137276215113643
Energy: 1.0258791406592978
Energy: 1.0270937730949221
Energy: 1.171514476939842
Energy: 1.0270937730949221
Energy: 1.1392265131524257
Energy: 1.2848816307569515
Energy: 1.139284962422171
Energy: 1.2848816307569515
Energy: 1.152100013539493
Energy: 1.2788611009716195
Energy: 1.1372144140054308
Energy: 1.2788611009716195
Energy: 1.1540272374437517
Energy: 1.2781520211346877
Energy: 1.1376037039075928
Energy: 1.2781520211346877
Energy: 1.1496855951720497
Energy: 1.2790739959618256
Energy: 1.1712960890386688
Energy: 1.2790739959628372
Energy: 1.0260794901443788
Energy: 1.02636135798517
Energy: 1.1501775919087056
Energy: 1.0263613579841582
Energy: 1.0665631231853978
Energy: 1.0285986745560725
Energy: 1.045402780296857
Energy: 1.0285986745570845
Energy: 1.1538160191070563
Energy: 1.0102992662638395
Energy: 1.0110821495016882
Energy: 1.0102992662648513

minimum gb energy = 0.9442988072644537 eV
minimum distance =  2.25098583257375 Angstroms
sigma value = 9


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

Energy: 1.3603672760739043
Energy: 1.0923610179568937
Energy: 1.0940563947087423
Energy: 0.997881537698418
Energy: 1.1473996489943996
Energy: 1.1053749093348175
Energy: 1.1474456471144077
Energy: 1.1053749093360246
Energy: 1.0693497992754315
Energy: 1.0709298045487514
Energy: 1.2114259455616139
Energy: 1.0709298045487514
Energy: 1.1375409083011971
Energy: 1.2168326208684497
Energy: 1.1068331596052983
Energy: 1.2168326208684497
Energy: 1.2501997042414468
Energy: 1.1987464478130685
Energy: 1.1068056613391735
Energy: 1.1987464478130685
Energy: 1.2700949548407314
Energy: 1.2325998655810826
Energy: 1.1064791008467243
Energy: 1.2325998655822896
Energy: 1.2218170479320152
Energy: 1.370312574726564
Energy: 1.24495716967199
Energy: 1.370312574726564
Energy: 1.2580434429523404
Energy: 1.3303980637167454
Energy: 1.2699440006244733
Energy: 1.3303980637167454
Energy: 1.1060394705532732
Energy: 1.1838378203249547
Energy: 1.2445894626444898
Energy: 1.1838378203249547
Energy: 1.1473807742011595
Energy: 1.1840102302629971
Energy: 1.120207323353647
Energy: 1.18401023026179
Energy: 1.2542222270136965
Energy: 1.0705933836396557
Energy: 1.0706994954148992
Energy: 1.0705933836396557
Energy: 1.2915737798400242
Energy: 1.1380503042734358
Energy: 1.1474317308649509
Energy: 1.1380503042722285
Energy: 1.0820440972734946
Energy: 1.0700028515500695
Energy: 1.2109146489979603
Energy: 1.0700028515500695
Energy: 1.1381381211913502
Energy: 1.1383321350260307
Energy: 1.2771777009780347
Energy: 1.1383321350272377
Energy: 1.24992938313848
Energy: 1.1992827837592452
Energy: 1.1060746788245908
Energy: 1.1992827837592452
Energy: 1.2702812495351317
Energy: 1.1075054731945935
Energy: 1.10672174063238
Energy: 1.1075054731958005
Energy: 1.222308091481911
Energy: 1.3744802599570711
Energy: 1.2446532430964359
Energy: 1.3744802599570711
Energy: 1.2237714318357908
Energy: 1.371198055162022
Energy: 1.2699510441598172
Energy: 1.371198055162022
Energy: 1.1076325093630284
Energy: 1.1839854256966176
Energy: 1.2455444277556633
Energy: 1.1839854256966176
Energy: 1.1474130719733775
Energy: 1.1842340435695644
Energy: 1.2452215270486588
Energy: 1.1842340435695644
Energy: 1.2549848382557744
Energy: 1.070546522007053
Energy: 1.070162622243503
Energy: 1.070546522007053

minimum gb energy = 0.997881537698418 eV
minimum distance =  2.24882511725988 Angstroms
sigma value = 25


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

Energy: 1.4728502082471282
Energy: 1.1878180720324083
Energy: 1.1900530725169016
Energy: 1.067276345343731
Energy: 1.41109119775488
Energy: 1.1432437115275922
Energy: 1.2546355212735367
Energy: 1.1432437115275922
Energy: 1.154864571534641
Energy: 1.154661936740269
Energy: 1.3406984521593723
Energy: 1.154661936740269
Energy: 1.2430281626131054
Energy: 1.1433255524693178
Energy: 1.086039128650277
Energy: 1.1433255524693178
Energy: 1.2256136434293585
Energy: 1.2910878769886291
Energy: 1.2250132098476951
Energy: 1.2910878769886291
Energy: 1.2431829782131696
Energy: 1.2919727249908903
Energy: 1.2257998752463084
Energy: 1.2919727249893973
Energy: 1.3893414483312905
Energy: 1.2841133351849894
Energy: 1.2244879588507465
Energy: 1.2841133351849894
Energy: 1.237129042390133
Energy: 1.2815703776534937
Energy: 1.2546734351065583
Energy: 1.2815703776534937
Energy: 1.1550222750787766
Energy: 1.154649328572326
Energy: 1.246617905389981
Energy: 1.154649328572326
Energy: 1.1673725153198753
Energy: 1.2417960036198126
Energy: 1.4306486722435592
Energy: 1.2417960036183198
Energy: 1.3399527602710863
Energy: 1.1539551455978365
Energy: 1.168659739138387
Energy: 1.1539551455978365
Energy: 1.4392867024709919
Energy: 1.2423148176476722
Energy: 1.1567390912328492
Energy: 1.2423148176476722
Energy: 1.2275259587170115
Energy: 1.2917361694814153
Energy: 1.2255786167808915
Energy: 1.2917361694799225
Energy: 1.2251212669842877
Energy: 1.282589735531639
Energy: 1.4365396098675267
Energy: 1.282589735531639
Energy: 1.2259839266326262
Energy: 1.281296888459803
Energy: 1.3863778183138549
Energy: 1.281296888459803
Energy: 1.2543936421086683
Energy: 1.283414883812648
Energy: 1.386363255840934
Energy: 1.2834148838141406
Energy: 1.3448797319064887
Energy: 1.1543312818950149
Energy: 1.1535470497859297
Energy: 1.1543312818935219

minimum gb energy = 1.067276345343731 eV
minimum distance =  2.25505330592065 Angstroms
sigma value = 17


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

Energy: 2.122432139271074
Energy: 1.2985935658993668
Energy: 1.3011977064120797
Energy: 1.202059626735441
Energy: 1.2825470582176597
Energy: 1.3904294117903562
Energy: 1.2865569766407705
Energy: 1.3904294117903562
Energy: 1.1458767792645166
Energy: 1.1456835238274468
Energy: 1.255162614504351
Energy: 1.1456835238274468
Energy: 1.1456521275131182
Energy: 1.388894241710024
Energy: 1.3487898901021074
Energy: 1.388894241710024
Energy: 1.2606009381462857
Energy: 1.4334798014586179
Energy: 1.3005068712125747
Energy: 1.433479801457772
Energy: 1.3254953184493317
Energy: 1.4361461197135048
Energy: 1.2609696490007503
Energy: 1.4361461197135048
Energy: 1.5570586860447921
Energy: 1.1447538487115363
Energy: 1.148310581338213
Energy: 1.1447538487123816
Energy: 1.4838533388115533
Energy: 1.1447379236954203
Energy: 1.1822984140912591
Energy: 1.1447379236971111
Energy: 1.2860605997635575
Energy: 1.2520558930584544
Energy: 1.497130889805644
Energy: 1.252055893057609
Energy: 1.253081873420026
Energy: 1.3045358754717518
Energy: 1.4036829543591474
Energy: 1.3045358754717518
Energy: 1.4306967441411496
Energy: 1.3113207834412905
Energy: 1.204577584724862
Energy: 1.3113207834404452
Energy: 1.4308702168072913
Energy: 1.2631138399131931
Energy: 1.2018789113912318
Energy: 1.2631138399123478
Energy: 1.3122485483511694
Energy: 1.2634985828356815
Energy: 1.2024451254644033
Energy: 1.2634985828356815
Energy: 1.1863583043534531
Energy: 1.2625074892736081
Energy: 1.2037858935235866
Energy: 1.2625074892736081
Energy: 1.2518475096594257
Energy: 1.2510030948231492
Energy: 1.3266693470081397
Energy: 1.2510030948231492
Energy: 1.2876185135934737
Energy: 1.2511672335400905
Energy: 1.3171022888912698
Energy: 1.2511672335400905
Energy: 1.252946432700218
Energy: 1.1452868292731193
Energy: 1.1812175938672573
Energy: 1.1452868292731193
Energy: 1.3066863849087191
Energy: 1.1457239055001436
Energy: 1.1441258196789825
Energy: 1.1457239055001436
Energy: 1.4337960745054334
Energy: 1.4335714555075172
Energy: 1.2607456399683152
Energy: 1.4335714555075172
Energy: 1.3029980761744115
Energy: 1.4369010422115083
Energy: 1.3246763157154144
Energy: 1.4369010422115083
Energy: 1.1457337560241525
Energy: 1.2079283375048164
Energy: 1.4842021115959412
Energy: 1.2079283375048164
Energy: 1.1836744463038886
Energy: 1.1818946133577612
Energy: 1.5470963664585609
Energy: 1.1818946133586068
Energy: 1.3724660711643255
Energy: 1.3694792436045176
Energy: 1.2872736624826788
Energy: 1.3694792436045176
Energy: 1.497000579943888
Energy: 1.2519879055967795
Energy: 1.252475864185633
Energy: 1.2519879055967795
Energy: 1.1249596388815783
Energy: 1.2625828197007796
Energy: 1.3049802771470655
Energy: 1.2625828196999342
Energy: 1.2018455974660631
Energy: 1.26321251916821
Energy: 1.4285829810328878
Energy: 1.26321251916821
Energy: 1.2025511010431142
Energy: 1.4391866563514077
Energy: 1.4308411779857673
Energy: 1.4391866563514077
Energy: 1.2053819092308538
Energy: 1.2627201429651538
Energy: 1.1861887110812053
Energy: 1.2627201429651538
Energy: 1.3095741675771684
Energy: 1.3883595893410534
Energy: 1.1865604335697435
Energy: 1.3883595893410534
Energy: 1.3171753487354885
Energy: 1.2516189740179442
Energy: 1.2506155832170291
Energy: 1.2516189740187897

minimum gb energy = 1.1249596388815783 eV
minimum distance =  2.25703701256423 Angstroms
sigma value = 53


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

Energy: 1.9051554523807401
Energy: 1.1985493277141914
Energy: 1.2659955461052523
Energy: 1.1060964559521775
Energy: 1.2001303434178767
Energy: 1.1976388724651112
Energy: 1.2175323114743797
Energy: 1.197638872463165
Energy: 1.197660501829185
Energy: 1.198581087864277
Energy: 1.2216947145732664
Energy: 1.198581087864277
Energy: 1.1978540817257213
Energy: 1.1643047079403113
Energy: 1.3679310919656285
Energy: 1.1643047079422577
Energy: 1.2205763164278995
Energy: 1.163515129976384
Energy: 1.0850606604315107
Energy: 1.1635151299744375
Energy: 1.3466921292627299
Energy: 1.164642811152089
Energy: 1.0854094693427603
Energy: 1.1646428111540355
Energy: 1.3001488569894495
Energy: 1.1977837820035002
Energy: 1.1995343597262997
Energy: 1.1977837820054467
Energy: 1.300135664570516
Energy: 1.1983354339508347
Energy: 1.2176994192240453
Energy: 1.1983354339488883
Energy: 1.2003408769882848
Energy: 1.1980593714552352
Energy: 1.2233785832321789
Energy: 1.1980593714552352
Energy: 1.1985793947082373
Energy: 1.1974188326669775
Energy: 1.2178317557558354
Energy: 1.197418832668924
Energy: 1.2184555818552416
Energy: 1.1649186137323515
Energy: 1.0851639093045895
Energy: 1.1649186137323515
Energy: 1.3494667799390423
Energy: 1.163541606557257
Energy: 1.0885651301801083
Energy: 1.163541606557257
Energy: 1.3005226739327957
Energy: 1.198515315304228
Energy: 1.1971275945073552
Energy: 1.198515315304228

minimum gb energy = 1.0850606604315107 eV
minimum distance =  2.25463738084634 Angstroms
sigma value = 9


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

Energy: 1.8044119898724016
Energy: 1.2958945765116712
Energy: 1.3848971861661004
Energy: 1.2406199328818452
Energy: 1.2809397445590798
Energy: 1.1730581625869128
Energy: 1.385473903753438
Energy: 1.1730581625861922
Energy: 1.174352435128391
Energy: 1.1738768713945427
Energy: 1.414225524298321
Energy: 1.1738768713938224
Energy: 1.1786248758274458
Energy: 1.1746268929471024
Energy: 1.3807327776913672
Energy: 1.174626892948543
Energy: 1.1766791639219134
Energy: 1.173549080934546
Energy: 1.3560239182343579
Energy: 1.173549080934546
Energy: 1.2713851757271812
Energy: 1.1729646234620865
Energy: 1.3553182355934916
Energy: 1.1729646234592046
Energy: 1.3841125199043511
Energy: 1.2907990947591619
Energy: 1.3790233322886611
Energy: 1.2907990947591619
Energy: 1.3832797127289733
Energy: 1.2909875639328303
Energy: 1.2903739223628001
Energy: 1.2909875639328303
Energy: 1.222872130464655
Energy: 1.4099156047421213
Energy: 1.3194752664686749
Energy: 1.4099156036734997
Energy: 1.1928490751507839
Energy: 1.3760267932901917
Energy: 1.294453436098326
Energy: 1.3760267932901917
Energy: 1.1877908870190617
Energy: 1.1878178286248207
Energy: 1.3941230631714607
Energy: 1.1878178286241001
Energy: 1.2858767235570923
Energy: 1.2500689756063743
Energy: 1.3581545397475725
Energy: 1.2500689756070946
Energy: 1.381913755906126
Energy: 1.1886275485626416
Energy: 1.4034102989265405
Energy: 1.1886275485626416
Energy: 1.381881511477565
Energy: 1.189011700782015
Energy: 1.1913086680406426
Energy: 1.1890117007827354
Energy: 1.3372530342764302
Energy: 1.3768781074032455
Energy: 1.2224157403487272
Energy: 1.3768781074032455
Energy: 1.4416756079796322
Energy: 1.4069303379074753
Energy: 1.3244123318507155
Energy: 1.406930337906755
Energy: 1.2956674532985968
Energy: 1.4082748573151518
Energy: 1.1910376545645918
Energy: 1.4082748573129906
Energy: 1.2892796486797706
Energy: 1.2908457152834463
Energy: 1.3606220580283102
Energy: 1.2908457152827257
Energy: 1.384406014221226
Energy: 1.5166112309975686
Energy: 1.3228262615070443
Energy: 1.5166112309968482
Energy: 1.4144741929404763
Energy: 1.1739161682944779
Energy: 1.1742340239282314
Energy: 1.1739161682951984
Energy: 1.3831208264158097
Energy: 1.1743098661710487
Energy: 1.176437817326421
Energy: 1.1743098661696076
Energy: 1.3548115133173098
Energy: 1.1732842640532037
Energy: 1.1744297451701093
Energy: 1.1732842640524832
Energy: 1.354984547829057
Energy: 1.1728123797040613
Energy: 1.2707077919731353
Energy: 1.1728123797047816
Energy: 1.3789569028518114
Energy: 1.2905967873309145
Energy: 1.3820938242018905
Energy: 1.290596787330194
Energy: 1.2908752520843016
Energy: 1.291228482862892
Energy: 1.383792481471566
Energy: 1.291228482863612
Energy: 1.3205320195845816
Energy: 1.4628538288372677
Energy: 1.224606830231288
Energy: 1.4628538288387085
Energy: 1.2964842056132226
Energy: 1.3762854755545324
Energy: 1.1919901480682948
Energy: 1.376285475552371
Energy: 1.4005360100089805
Energy: 1.1880306662444902
Energy: 1.1891781119970661
Energy: 1.1880306662437696
Energy: 1.3581557936006876
Energy: 1.2076354466692445
Energy: 1.1884803912995823
Energy: 1.207635446668524
Energy: 1.4065137848924751
Energy: 1.1889476167126352
Energy: 1.3839840807650807
Energy: 1.1889476167119146
Energy: 1.1932094632421288
Energy: 1.1894439161605834
Energy: 1.4203439195364636
Energy: 1.1894439161605834
Energy: 1.189171505062196
Energy: 1.3677390218473313
Energy: 1.3386542984176402
Energy: 1.3677390218451697
Energy: 1.3227840363633918
Energy: 1.4018361180535583
Energy: 1.4411628510751844
Energy: 1.4018361180542787
Energy: 1.1897960580026883
Energy: 1.4088415561251555
Energy: 1.2306012807370015
Energy: 1.408841556128037
Energy: 1.3600867787632467
Energy: 1.2905623005127738
Energy: 1.2896043545233524
Energy: 1.2905623005127738

minimum gb energy = 1.1728123797040613 eV
minimum distance =  2.26811675754759 Angstroms
sigma value = 73


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

Energy: 1.6931705449709862
Energy: 1.227452236452238
Energy: 1.2268926598293428
Energy: 1.1687798844645718
Energy: 1.1564216188450183
Energy: 1.462485147359354
Energy: 1.343298605489132
Energy: 1.4624851473604972
Energy: 1.1728416171245588
Energy: 1.174009797793818
Energy: 1.403156692815475
Energy: 1.174009797793818
Energy: 1.172821420856834
Energy: 1.1735403343253472
Energy: 1.3125464591997305
Energy: 1.1735403343253472
Energy: 1.1733015510617044
Energy: 1.1731225856569456
Energy: 1.3132091260033172
Energy: 1.1731225856580885
Energy: 1.2520175395685307
Energy: 1.4621241462174284
Energy: 1.3131476702081863
Energy: 1.4621241462174284
Energy: 1.3482088941399366
Energy: 1.2282530222032497
Energy: 1.3437375776250817
Energy: 1.2282530222032497
Energy: 1.347324956834743
Energy: 1.2274195712584999
Energy: 1.2277798730378375
Energy: 1.2274195712584999
Energy: 1.280866796734028
Energy: 1.4794764792054114
Energy: 1.2802013365017177
Energy: 1.4794764792054114
Energy: 1.2041299725622492
Energy: 1.4793303604453554
Energy: 1.2279338053403124
Energy: 1.4793303604453554
Energy: 1.2276313279311784
Energy: 1.2277555175111925
Energy: 1.1392033823445409
Energy: 1.2277555175111925
Energy: 1.2580406312657935
Energy: 1.256716810909173
Energy: 1.3200282439605244
Energy: 1.256716810909173
Energy: 1.2312703351003647
Energy: 1.462196581399281
Energy: 1.1579217768463632
Energy: 1.462196581399281
Energy: 1.282847379820855
Energy: 1.1733389738240685
Energy: 1.173781833105823
Energy: 1.1733389738240685
Energy: 1.3129546445219362
Energy: 1.1736457767105342
Energy: 1.173581710518672
Energy: 1.1736457767105342
Energy: 1.3137296564221796
Energy: 1.1739588767086528
Energy: 1.1738615903382061
Energy: 1.1739588767086528
Energy: 1.3130949263369502
Energy: 1.462413635112926
Energy: 1.156384043570502
Energy: 1.462413635112926
Energy: 1.2567644819017971
Energy: 1.2564711524927752
Energy: 1.3487613870618758
Energy: 1.2564711524927752
Energy: 1.2294196490599931
Energy: 1.2276922003852322
Energy: 1.3467540791412567
Energy: 1.2276922003852322
Energy: 1.2797043473689262
Energy: 1.4797341911114696
Energy: 1.2800162971262774
Energy: 1.4797341911114696
Energy: 1.227338658003322
Energy: 1.4791058840921394
Energy: 1.2039828588829717
Energy: 1.479105884090996
Energy: 1.5916503767980796
Energy: 1.2283064994062476
Energy: 1.229408057351092
Energy: 1.2283064994062476

minimum gb energy = 1.1392033823445409 eV
minimum distance =  2.25792041959586 Angstroms
sigma value = 7


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

Energy: 1.4733931734224794
Energy: 1.2605393467285513
Energy: 1.258431186368943
Energy: 1.2420776945668004
Energy: 1.2812595441370704
Energy: 1.4349416098751264
Energy: 1.3677511698123737
Energy: 1.4349416099098795
Energy: 1.2212316226616797
Energy: 1.4016613356146261
Energy: 1.4684709997663112
Energy: 1.401661335613818
Energy: 1.2264124095709892
Energy: 1.2222686241722904
Energy: 1.3370669321033484
Energy: 1.2222686241690575
Energy: 1.1955408374196668
Energy: 1.1912840092461867
Energy: 1.4837999707161809
Energy: 1.1912840092469947
Energy: 1.3810158959402905
Energy: 1.190918320731099
Energy: 1.3697471216037105
Energy: 1.190918320731099
Energy: 1.3727653304787246
Energy: 1.194445818916574
Energy: 1.3758802271228467
Energy: 1.194445818916574
Energy: 1.3763663568087654
Energy: 1.191442506705329
Energy: 1.1918681076772553
Energy: 1.191442506704521
Energy: 1.3278345695019704
Energy: 1.227893993697269
Energy: 1.2288939734733346
Energy: 1.2278939936980773
Energy: 1.457121012145537
Energy: 1.618160948965086
Energy: 1.2385891579445976
Energy: 1.618160948965086
Energy: 1.3541817661348232
Energy: 1.284485750527503
Energy: 1.371761039992441
Energy: 1.284485750527503
Energy: 1.2839570319507385
Energy: 1.2859591563521966
Energy: 1.3750615250288154
Energy: 1.2859591563513884
Energy: 1.2842249806277706
Energy: 1.550777672912805
Energy: 1.2265841285821846
Energy: 1.550777672911997
Energy: 1.3543163088882506
Energy: 1.4022304329016997
Energy: 1.3273361609941698
Energy: 1.4022304328976585
Energy: 1.3477063879063982
Energy: 1.3797562684318192
Energy: 1.226074742548359
Energy: 1.3797562684326274
Energy: 1.3789933050920091
Energy: 1.2393505983540176
Energy: 1.244484629550333
Energy: 1.2393505983548259
Energy: 1.37896204780588
Energy: 1.182603488561964
Energy: 1.3413180811470626
Energy: 1.182603488562772
Energy: 1.2371348161328837
Energy: 1.404673340273393
Energy: 1.4698168696768383
Energy: 1.4046733402725848
Energy: 1.272968932850729
Energy: 1.309898917954572
Energy: 1.3227204996821822
Energy: 1.3098989179553797
Energy: 1.2163443662307898
Energy: 1.216034762470452
Energy: 1.37679973798715
Energy: 1.2160347624696441
Energy: 1.3631364829978836
Energy: 1.2174176596509867
Energy: 1.4854414045180975
Energy: 1.2174176596526032
Energy: 1.3763765707545672
Energy: 1.1975502767422337
Energy: 1.33761636919426
Energy: 1.1975502767422337
Energy: 1.3779068047713081
Energy: 1.1971115518308326
Energy: 1.2014922452277592
Energy: 1.197111551831641
Energy: 1.3485797408722962
Energy: 1.2242920483904753
Energy: 1.2279872595528711
Energy: 1.2242920483912834
Energy: 1.4576365109176341
Energy: 1.4240382643120326
Energy: 1.2233858489560199
Energy: 1.4240382643120326
Energy: 1.3692803442125208
Energy: 1.6030376481675404
Energy: 1.2788325272509646
Energy: 1.6030376481667319
Energy: 1.2598649990799435
Energy: 1.2619752611239439
Energy: 1.560627198362982
Energy: 1.2619752611223274
Energy: 1.2622792858577376
Energy: 1.4355839299990956
Energy: 1.2696141881814658
Energy: 1.4355839299974793
Energy: 1.3986892081284072
Energy: 1.4671201125867845
Energy: 1.3030025566108205
Energy: 1.4671201125875928
Energy: 1.2594847400269416
Energy: 1.4571804483821746
Energy: 1.3269818516611323
Energy: 1.4571804483805584
Energy: 1.3794987175147124
Energy: 1.2593209243985526
Energy: 1.2638030142733159
Energy: 1.259320924399361

minimum gb energy = 1.182603488561964 eV
minimum distance =  2.26482963176328 Angstroms
sigma value = 29


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

Energy: 1.204994750287613
Energy: 1.42528739257619
Energy: 1.1557534277483443
Energy: 1.2063775305114601
Energy: 1.154838443209229
Energy: 1.2304275659368054
Energy: 1.1546297137998331
Energy: 1.2304275659368054
Energy: 1.1570881137149445
Energy: 1.2725914242563827
Energy: 1.1849860363746292
Energy: 1.2725914242563827
Energy: 1.1479829847219483
Energy: 1.224782477262412
Energy: 1.154696770047703
Energy: 1.224782477262412
Energy: 1.18584591742979
Energy: 1.1852384809403969
Energy: 1.2067542295421363
Energy: 1.1852384809398337
Energy: 1.1544458414714467
Energy: 1.2718122854044744
Energy: 1.2067351456965942
Energy: 1.2718122854041929
Energy: 1.1859477879657403
Energy: 1.2720867286432163
Energy: 1.155231342679741
Energy: 1.2720867286432163
Energy: 1.1546081330796147
Energy: 1.1838509901296512
Energy: 1.150204866106486
Energy: 1.1838509901294012
Energy: 1.1484886071575366
Energy: 1.1837911642667087
Energy: 1.1829369267714087
Energy: 1.183791164266427

minimum gb energy = 1.1479829847219483 eV
minimum distance =  2.23113222140549 Angstroms
sigma value = 5


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

Energy: 1.4985191863465548
Energy: 1.178288128624763
Energy: 1.170645822276506
Energy: 1.1654108287112845
Energy: 1.3675698426520917
Energy: 1.3190575574989767
Energy: 1.3043413544146423
Energy: 1.3190575574989767
Energy: 1.3035527102026407
Energy: 1.4071688930383337
Energy: 1.3423251210301328
Energy: 1.4071688930390973
Energy: 1.1898873297094525
Energy: 1.3932260599738155
Energy: 1.358360172598048
Energy: 1.3932260599738155
Energy: 1.301073512991586
Energy: 1.165269254228636
Energy: 1.3882005186495037
Energy: 1.165269254228636
Energy: 1.1684914139758416
Energy: 1.164767310043304
Energy: 1.3843950639301066
Energy: 1.1647673100440676
Energy: 1.1646053227530657
Energy: 1.1634022193194404
Energy: 1.3578508607997555
Energy: 1.1634022193186773
Energy: 1.176181126137025
Energy: 1.1784480866941025
Energy: 1.4943065501066652
Energy: 1.1784480866933387
Energy: 1.3194988071302014
Energy: 1.591102392713539
Energy: 1.3979402363544775
Energy: 1.5911023927127756
Energy: 1.345126528392769
Energy: 1.150125109264881
Energy: 1.1478591023834135
Energy: 1.1501251092641176
Energy: 1.317323338354908
Energy: 1.1426765293361387
Energy: 1.1425427097833825
Energy: 1.1426765293361387
Energy: 1.4358658524278642
Energy: 1.1359412839271545
Energy: 1.1394015022786557
Energy: 1.1359412839271545
Energy: 1.491325230862015
Energy: 1.4081248964608342
Energy: 1.3593540728281237
Energy: 1.4081248964608342
Energy: 1.3161287449786585
Energy: 1.6251182488204174
Energy: 1.356971954042268
Energy: 1.6251182488204174
Energy: 1.184667862028921
Energy: 1.1641648027606808
Energy: 1.3334949272588097
Energy: 1.1641648027599174
Energy: 1.1748557976411473
Energy: 1.171442240180902
Energy: 1.3639738235870074
Energy: 1.171442240180902
Energy: 1.1626667440529619
Energy: 1.175981865935927
Energy: 1.3162127429648607
Energy: 1.175981865935927
Energy: 1.2963619095104544
Energy: 1.1712248926032762
Energy: 1.3131563146503895
Energy: 1.1712248926032762
Energy: 1.317648344807113
Energy: 1.3924980177488089
Energy: 1.3025613693029339
Energy: 1.3924980177488089
Energy: 1.35757858429759
Energy: 1.3924319942813004
Energy: 1.1873970354661627
Energy: 1.3924319942813004
Energy: 1.384521691869366
Energy: 1.1643171525948033
Energy: 1.2984186704899476
Energy: 1.1643171525948033
Energy: 1.414290839278949
Energy: 1.1656457591169307
Energy: 1.171633885881696
Energy: 1.165645759115404
Energy: 1.3594271188050164
Energy: 1.1646021124224302
Energy: 1.1784472760814313
Energy: 1.1646021124216668
Energy: 1.4399554277315565
Energy: 1.3756132982281901
Energy: 1.1884444757979638
Energy: 1.3756132982281901
Energy: 1.399106499041298
Energy: 1.4117506937244306
Energy: 1.3172683708420856
Energy: 1.4117506937259579
Energy: 1.148353454180966
Energy: 1.415640418301376
Energy: 1.344853056451239
Energy: 1.4156404183021394
Energy: 1.1357097117446047
Energy: 1.1355555061700748
Energy: 1.3191133847810652
Energy: 1.1355555061700748
Energy: 1.1368738118375845
Energy: 1.13534566883804
Energy: 1.3198777010423173
Energy: 1.13534566883804
Energy: 1.3620773979685634
Energy: 1.408673140614378
Energy: 1.4929133351650097
Energy: 1.408673140614378
Energy: 1.3336809255147457
Energy: 1.6256070222058066
Energy: 1.3168890163324332
Energy: 1.6256070222058066
Energy: 1.3425168873585405
Energy: 1.1775035747046225
Energy: 1.1756295026579755
Energy: 1.1775035747046225
Energy: 1.360869064936653
Energy: 1.1784105344789377
Energy: 1.1755091288924988
Energy: 1.1784105344789377
Energy: 1.3166655220923424
Energy: 1.1745476676554654
Energy: 1.1624911347643665
Energy: 1.1745476676554654

minimum gb energy = 1.13534566883804 eV
minimum distance =  2.2799540098413 Angstroms
sigma value = 1


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

Energy: 1.5275798994883147
Energy: 1.1187218690736562
Energy: 1.1121613294523276
Energy: 1.0811972501441887
Energy: 1.388597313599737
Energy: 1.409873367124175
Energy: 1.2911968027231757
Energy: 1.409873367124175
Energy: 1.3008773420616193
Energy: 1.2124181429198269
Energy: 1.291089194888526
Energy: 1.2124181429208825
Energy: 1.1272092236145745
Energy: 1.3927984313410648
Energy: 1.3887715819231639
Energy: 1.3927984313410648
Energy: 1.290809418797772
Energy: 1.1149997243050214
Energy: 1.3897381488775364
Energy: 1.1149997243050214
Energy: 1.1129787448784827
Energy: 1.1141727853340238
Energy: 1.3902264560499966
Energy: 1.1141727853340238
Energy: 1.1021740859183955
Energy: 1.1023471051897102
Energy: 1.388337020963021
Energy: 1.1023471051886544
Energy: 1.1204524164464666
Energy: 1.3926368329114622
Energy: 1.4342570026974373
Energy: 1.3926368329114622
Energy: 1.3903601521350033
Energy: 1.3934045434377607
Energy: 1.4368502487488841
Energy: 1.3934045434377607
Energy: 1.2922253721436454
Energy: 1.109017267355282
Energy: 1.1166491575492288
Energy: 1.1090172673563377
Energy: 1.3884203902945518
Energy: 1.10168981407263
Energy: 1.101263999304787
Energy: 1.101689814074741
Energy: 1.5089194788084164
Energy: 1.1132368739512848
Energy: 1.116612352772284
Energy: 1.1132368739523402
Energy: 1.4370749195235029
Energy: 1.1248531760323606
Energy: 1.2904854111268445
Energy: 1.1248531760323606
Energy: 1.3906243488172012
Energy: 1.3928858198241771
Energy: 1.3029668024720298
Energy: 1.392885819822066
Energy: 1.129553102036409
Energy: 1.2108456437929136
Energy: 1.2919500193111084
Energy: 1.210845643791858
Energy: 1.1609629482231432
Energy: 1.3942591848525432
Energy: 1.38817145146824
Energy: 1.3942591848525432
Energy: 1.145188718599192
Energy: 1.1320833177435308
Energy: 1.389792052319861
Energy: 1.1320833177424752
Energy: 1.1129324180887514
Energy: 1.120221302953944
Energy: 1.3915390374506813
Energy: 1.120221302953944
Energy: 1.1019505974635073
Energy: 1.1028162386908895
Energy: 1.4355014558755181
Energy: 1.1028162386919451
Energy: 1.115886168477811
Energy: 1.4027939396004268
Energy: 1.434403281669552
Energy: 1.4027939396004268
Energy: 1.302227018319854
Energy: 1.396225045463245
Energy: 1.3884105891051948
Energy: 1.396225045463245
Energy: 1.2901735304355784
Energy: 1.1129216278078988
Energy: 1.1246434887086945
Energy: 1.1129216278078988
Energy: 1.3910591328875304
Energy: 1.1109756592192588
Energy: 1.126718700710282
Energy: 1.1109756592182032
Energy: 1.4370406632785007
Energy: 1.1255181725025027
Energy: 1.112060529132005
Energy: 1.125518172501447

minimum gb energy = 1.0811972501441887 eV
minimum distance =  2.27231738842108 Angstroms
sigma value = 17


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

Energy: 1.5649940014584651
Energy: 1.1159640594894684
Energy: 1.368872164474618
Energy: 1.085300642223557
Energy: 1.4845392955066186
Energy: 1.2746815521866182
Energy: 1.2305114123948317
Energy: 1.2746815521872705
Energy: 1.3259260051880113
Energy: 1.0888992453419055
Energy: 1.228415162564931
Energy: 1.0888992453282635
Energy: 1.3548028211264993
Energy: 1.56894061868165
Energy: 1.3712615664177603
Energy: 1.5689406186823023
Energy: 1.4161162775727472
Energy: 1.0787229795883642
Energy: 1.4535662229588098
Energy: 1.0787229795883642
Energy: 1.08187177578831
Energy: 1.084191758571719
Energy: 1.482102022721488
Energy: 1.0841917585710663
Energy: 1.0857408086674256
Energy: 1.0786010369705608
Energy: 1.4442803414098302
Energy: 1.0786010369699084
Energy: 1.091060699188827
Energy: 1.0807407516609382
Energy: 1.5142170353650297
Energy: 1.0807407516609382
Energy: 1.4107647377200454
Energy: 1.3071902948667085
Energy: 1.4496257259124674
Energy: 1.3071902948654035
Energy: 1.2305693488215128
Energy: 1.4835430035125634
Energy: 1.2316918985562115
Energy: 1.4835430035145205
Energy: 1.4134676052421737
Energy: 1.2752561791496675
Energy: 1.0973340940273046
Energy: 1.275256179156192
Energy: 1.4810773309093583
Energy: 1.1155803552133585
Energy: 1.2320729744089505
Energy: 1.1155803552127062
Energy: 1.491057868513511
Energy: 1.105518791201219
Energy: 1.1208840069691397
Energy: 1.105518791201219
Energy: 1.4780187395360993
Energy: 1.0896851952279811
Energy: 1.0911748778586616
Energy: 1.0896851952266762
Energy: 1.3510020799346032
Energy: 1.0911188003317196
Energy: 1.105640492584726
Energy: 1.0911188003310672
Energy: 1.5115523297146554
Energy: 1.405655917256859
Energy: 1.4753689651746846
Energy: 1.4056559172588163
Energy: 1.12461281515897
Energy: 1.4103098322514263
Energy: 1.4373732302767455
Energy: 1.4103098322488166
Energy: 1.0850197481908856
Energy: 1.083955966956306
Energy: 1.4773897230808322
Energy: 1.083955966956306
Energy: 1.1148757386948136
Energy: 1.115795083171116
Energy: 1.4466560696281616
Energy: 1.115795083171116
Energy: 1.2403624420949253
Energy: 1.090104342851764
Energy: 1.562040349487751
Energy: 1.0901043428524166
Energy: 1.239078535718242
Energy: 1.2763404121548199
Energy: 1.4812290719134311
Energy: 1.2763404121528625
Energy: 1.2417216598987397
Energy: 1.3202350812504067
Energy: 1.3446348550351854
Energy: 1.3202350812504067
Energy: 1.4434537615676577
Energy: 1.572187403007307
Energy: 1.3511611587865502
Energy: 1.5721874030060023
Energy: 1.4555036835951694
Energy: 1.080519455435996
Energy: 1.4174071973408908
Energy: 1.0805194554353437
Energy: 1.4825894028414628
Energy: 1.0790001880283557
Energy: 1.081370682945086
Energy: 1.0790001880283557
Energy: 1.4472000506124865
Energy: 1.0868240618885698
Energy: 1.0754890500888103
Energy: 1.0868240618885698
Energy: 1.5141175978309556
Energy: 1.0757842002060416
Energy: 1.0951611267991588
Energy: 1.0757842002053892
Energy: 1.4464036690890125
Energy: 1.2619022964153508
Energy: 1.4112752176500882
Energy: 1.2619022962242443
Energy: 1.2295494787198673
Energy: 1.3091357571135018
Energy: 1.229288466467278
Energy: 1.3091357571128492
Energy: 1.0985526539592296
Energy: 1.2727493319894128
Energy: 1.4162756348541354
Energy: 1.2727493319868033
Energy: 1.2348083874630529
Energy: 1.1160195269481024
Energy: 1.4856103658551711
Energy: 1.1160195269481024
Energy: 1.121953718695224
Energy: 1.1116574252336882
Energy: 1.4875665427050049
Energy: 1.1116574252336882
Energy: 1.0891425688898972
Energy: 1.0890359336892046
Energy: 1.4764006379167847
Energy: 1.089035933689857
Energy: 1.1190958562848998
Energy: 1.0914415337114205
Energy: 1.354209635068424
Energy: 1.0914415337127252
Energy: 1.4758527221294826
Energy: 1.401325504419703
Energy: 1.508274418309558
Energy: 1.4013255044177455
Energy: 1.440422056597932
Energy: 1.4127824478230133
Energy: 1.1192756765642842
Energy: 1.4127824478230133
Energy: 1.475672700699195
Energy: 1.0834882272904784
Energy: 1.0836729486321712
Energy: 1.0834882272904784
Energy: 1.4519365592078202
Energy: 1.1152244957896544
Energy: 1.117246687752468
Energy: 1.1152244957909594

minimum gb energy = 1.0754890500888103 eV
minimum distance =  2.2753126067515 Angstroms
sigma value = 89


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

Energy: 1.9751591424627921
Energy: 0.9773027798118991
Energy: 0.978455319460956
Energy: 1.0073214205804137
Energy: 1.2813308466219488
Energy: 1.3462748627385652
Energy: 1.280869640291134
Energy: 1.346274862736858
Energy: 1.0024052375068768
Energy: 1.0641584931793635
Energy: 1.2616886396297209
Energy: 1.0641584931810704
Energy: 0.9705158853931505
Energy: 1.064665204144956
Energy: 1.2814553355295872
Energy: 1.064665204146663
Energy: 1.0101725590786965
Energy: 0.9764126022318202
Energy: 1.2603577383115994
Energy: 0.9764126022318202
Energy: 1.0270282971777547
Energy: 0.9753096243280015
Energy: 1.2602660600374072
Energy: 0.9753096243280015
Energy: 0.9991861756068046
Energy: 0.9739505820290003
Energy: 1.5379494751138738
Energy: 0.9739505820290003
Energy: 1.001012872830333
Energy: 0.9792402424595035
Energy: 1.530656055300739
Energy: 0.9792402424595035
Energy: 1.2806965143101063
Energy: 1.3706850449512071
Energy: 1.533101155467855
Energy: 1.3706850449512071
Energy: 1.2631908834550274
Energy: 1.065701623868488
Energy: 1.2645585083293547
Energy: 1.065701623868488
Energy: 1.2839889132808298
Energy: 1.066197571143756
Energy: 0.9675241815859948
Energy: 1.066197571143756
Energy: 1.260522664193377
Energy: 0.9745731511133738
Energy: 1.2821688469886088
Energy: 0.9745731511133738
Energy: 1.2610500329408534
Energy: 0.9775834964689244
Energy: 1.0009723022387982
Energy: 0.9775834964689244
Energy: 1.5370174291520369
Energy: 0.9735542205153787
Energy: 0.9737902433740879
Energy: 0.9735542205136716
Energy: 1.5306925499007418
Energy: 0.9764013349557651
Energy: 1.0008385288301984
Energy: 0.9764013349557651

minimum gb energy = 0.9675241815859948 eV
minimum distance =  2.27077391447037 Angstroms
sigma value = 13


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

Energy: 1.5008706619345855
Energy: 0.9186452031579676
Energy: 1.2452429638900384
Energy: 0.9212529714143114
Energy: 1.5875756325451351
Energy: 1.1052915907597134
Energy: 1.0699760780573326
Energy: 1.1052915907611442
Energy: 1.483814376371906
Energy: 1.103095351886677
Energy: 1.0569210554021744
Energy: 1.1030953519553022
Energy: 1.2530813048658505
Energy: 0.9155029780038308
Energy: 1.306703184462927
Energy: 0.9155029780095549
Energy: 1.4845935786899245
Energy: 1.107288536345587
Energy: 1.3664385896188562
Energy: 1.1072885361446558
Energy: 1.0597667685025112
Energy: 1.0136005351211272
Energy: 1.3646025472790304
Energy: 1.013600535105386
Energy: 1.056761356624654
Energy: 1.103201854732471
Energy: 1.6699909449274866
Energy: 1.1032018547317555
Energy: 1.0532040421242947
Energy: 0.9167831938426536
Energy: 1.6260544780064297
Energy: 0.916783193841938
Energy: 0.9472332550049102
Energy: 0.9212707817120391
Energy: 1.6412842316622513
Energy: 0.9212707817134701
Energy: 0.924366596112749
Energy: 0.914607522747943
Energy: 1.6670767552046504
Energy: 0.9146075227493741
Energy: 0.9407967561435288
Energy: 0.9208108060804028
Energy: 1.5003565784946948
Energy: 0.9208108060804028
Energy: 1.2977032726231477
Energy: 1.4139779752313553
Energy: 1.6669408409967594
Energy: 1.4139779752313553
Energy: 1.3057682671264836
Energy: 1.0904084798759557
Energy: 1.315803169562594
Energy: 1.0904084798730938
Energy: 1.5212323996589012
Energy: 1.2638129286405995
Energy: 1.252022834743635
Energy: 1.263812928641315
Energy: 1.6200436862457919
Energy: 1.1591149482469139
Energy: 1.2376396538134276
Energy: 1.1591149482461984
Energy: 1.6177762388927666
Energy: 1.0023857498140036
Energy: 0.9757928038257584
Energy: 1.0023857498161501
Energy: 1.6192505214968715
Energy: 1.0004614348019565
Energy: 0.9734256791304684
Energy: 1.0004614347876462
Energy: 1.4286020992226398
Energy: 0.9055235933784296
Energy: 0.9780541071881943
Energy: 0.9055235933791451
Energy: 1.6771777278940772
Energy: 1.1915398381113247
Energy: 1.0996263418413663
Energy: 1.1915398381120403
Energy: 1.472854312641825
Energy: 1.193554220535145
Energy: 1.1272290301297303
Energy: 1.193554220533714
Energy: 1.3008022695160444
Energy: 1.247228865886693
Energy: 1.1270746372467593
Energy: 1.247228865885262
Energy: 1.472931977463432
Energy: 1.3309682561866332
Energy: 1.3643949357623686
Energy: 1.3309682561873486
Energy: 1.0586626928894378
Energy: 1.0796517534409595
Energy: 1.3677906738851506
Energy: 1.0796517534402439
Energy: 0.986876828098428
Energy: 1.0946384164261187
Energy: 1.6036452078042414
Energy: 1.0946384164261187
Energy: 1.0426155759202784
Energy: 0.9828760944902982
Energy: 1.620324618533555
Energy: 0.9828760944902982
Energy: 0.9432334264653923
Energy: 0.9326269582310673
Energy: 1.6180178912470544
Energy: 0.9326269582317829
Energy: 0.9136916365219954
Energy: 0.9131269266369232
Energy: 1.6650020946492776
Energy: 0.9131269266362076
Energy: 0.9461061511818898
Energy: 0.9182183430380548
Energy: 1.4944189950481308
Energy: 0.9182183430380548
Energy: 1.3110848548298197
Energy: 1.4224109598247594
Energy: 1.6674808444399207
Energy: 1.4224109598233283
Energy: 1.1263509460488146
Energy: 1.1343487588536074
Energy: 1.312012067024235
Energy: 1.1343487587127152
Energy: 1.3174234465899184
Energy: 1.321663644309132
Energy: 1.3052940969226796
Energy: 1.3216636443098477
Energy: 1.617050091957339
Energy: 1.2843535834609525
Energy: 1.2981056870293386
Energy: 1.284353583461668
Energy: 1.6207919696836603
Energy: 0.9149332009667356
Energy: 0.931604116371563
Energy: 0.9149332009681667
Energy: 1.6521614773315907
Energy: 0.9111511309400199
Energy: 0.9116047151403506
Energy: 0.9111511309378734
Energy: 1.674379389123746
Energy: 0.9242366237003979
Energy: 0.9292672753003106
Energy: 0.9242366236996824

minimum gb energy = 0.9055235933784296 eV
minimum distance =  2.25615010392141 Angstroms
sigma value = 37


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

Energy: 1.2884619163261468
Energy: 0.8099430495135951
Energy: 0.8095940760977277
Energy: 0.8464627141485151
Energy: 1.495658067120632
Energy: 1.1158485428059313
Energy: 1.0814659182500466
Energy: 1.1158485428059313
Energy: 1.2706679700848766
Energy: 1.1142509410246013
Energy: 1.0451923368729306
Energy: 1.1142509410246013
Energy: 1.2700190645091736
Energy: 1.1470642398082882
Energy: 1.0452398071293998
Energy: 1.1470642398070572
Energy: 1.2860251835274243
Energy: 1.4085610798530257
Energy: 1.0448823894618715
Energy: 1.4085610798530257
Energy: 0.9460822393995025
Energy: 1.1156891581150155
Energy: 1.496887931319018
Energy: 1.1156891581150155
Energy: 0.8074078431012227
Energy: 1.1139071960622218
Energy: 1.497281143809337
Energy: 1.1139071960622218
Energy: 0.8361114275594005
Energy: 0.8098016159763936
Energy: 1.4955585564522293
Energy: 0.8098016159763936
Energy: 0.8092752366338523
Energy: 0.8126618726732042
Energy: 1.4955717902180274
Energy: 0.8126618726732042
Energy: 0.8494562765879413
Energy: 0.8103317991299683
Energy: 1.6109615454657618
Energy: 0.8103317991299683
Energy: 0.8099823127904604
Energy: 0.8099430529737063
Energy: 1.2884619163261468
Energy: 0.8099430529798615
Energy: 1.0814659182500466
Energy: 1.1158485428059313
Energy: 1.6108633588512813
Energy: 1.1158485428059313
Energy: 1.0451923368729306
Energy: 1.1142509410246013
Energy: 1.2706679700848766
Energy: 1.1142509410246013
Energy: 1.0452398070912379
Energy: 1.1470642398132123
Energy: 1.2700190645104044
Energy: 1.1470642398058262
Energy: 1.0448823894631025
Energy: 1.4085610798530257
Energy: 1.2860251835274243
Energy: 1.4085610798530257
Energy: 1.4025736783168123
Energy: 1.1156891581150155
Energy: 1.046652469259799
Energy: 1.1156891581137847
Energy: 1.497281143809337
Energy: 1.113907196063453
Energy: 0.8074078431012227
Energy: 1.113907196063453
Energy: 1.4955585564522293
Energy: 0.8098016159751625
Energy: 0.8361114275618625
Energy: 0.8098016159763936
Energy: 1.4955717902180274
Energy: 0.8126618726732042
Energy: 0.8092752366350833
Energy: 0.8126618726732042
Energy: 1.4956356427544655
Energy: 0.8103317991311714
Energy: 0.8494562765891723
Energy: 0.8103317991299683

minimum gb energy = 0.8074078431012227 eV
minimum distance =  2.27410524145768 Angstroms
sigma value = 25


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

Energy: 1.4680749713684296
Energy: 0.7101278624159978
Energy: 0.7103224139615294
Energy: 0.7424913528002713
Energy: 1.6387758845785307
Energy: 0.9620153423056381
Energy: 0.906140670313143
Energy: 0.9620153423056381
Energy: 1.4490213890808197
Energy: 0.9616059493592447
Energy: 0.9082322946498474
Energy: 0.9616059493582835
Energy: 1.106338570783857
Energy: 1.0291525308827825
Energy: 1.2756465852573036
Energy: 1.0291525308827825
Energy: 1.4587988872181583
Energy: 1.2563267286957753
Energy: 1.2792903806481017
Energy: 1.2563267286957753
Energy: 1.0996381704497113
Energy: 1.2174928743673137
Energy: 1.2765208503071657
Energy: 1.2174928743673137
Energy: 1.1024209637586782
Energy: 1.2558504572482336
Energy: 1.4585856529505636
Energy: 1.2558504572472724
Energy: 1.1153478331939692
Energy: 1.0287415590932443
Energy: 1.282634482930452
Energy: 1.0287415590932443
Energy: 0.9082620251766814
Energy: 0.9617362293799987
Energy: 1.6408748338141959
Energy: 0.9617362293790375
Energy: 0.9099308130832092
Energy: 0.9618696308602726
Energy: 1.6394637566180872
Energy: 0.9618696308593112
Energy: 0.7105392345383931
Energy: 0.7098253329110197
Energy: 1.2887557198230848
Energy: 0.7098253329110197
Energy: 0.7133522648246993
Energy: 0.7106005261129867
Energy: 1.6397648146302244
Energy: 0.7106005261129867
Energy: 0.7115484467202484
Energy: 0.7126571890458014
Energy: 1.828597182612458
Energy: 0.7126571890458014
Energy: 0.906002629838854
Energy: 0.7167015834405099
Energy: 1.4487381508585624
Energy: 0.7167015834414713
Energy: 0.9078922825767152
Energy: 0.9611233414285167
Energy: 1.458772102160669
Energy: 0.9611233414285167
Energy: 0.911036029770121
Energy: 0.9638466031616881
Energy: 1.4522105117617423
Energy: 0.9638466031607268
Energy: 1.2810696368842815
Energy: 1.2560944055677512
Energy: 1.4557690729556054
Energy: 1.2560944055677512
Energy: 0.9093024380620133
Energy: 1.2556973913031793
Energy: 1.4573271669482306
Energy: 1.2556973913031793
Energy: 1.2766339441420391
Energy: 1.219252289384633
Energy: 1.1015865052088023
Energy: 1.219252289384633
Energy: 1.6385333571306606
Energy: 1.2550681578076515
Energy: 1.099716954679154
Energy: 1.2550681578076515
Energy: 1.2891367745231166
Energy: 1.0262603177617118
Energy: 0.9098937541330451
Energy: 1.0262603177617118
Energy: 1.6394779936449146
Energy: 0.9611296208529203
Energy: 0.7106556316804674
Energy: 0.9611296208519592
Energy: 1.6399507316625817
Energy: 0.9640095480683798
Energy: 0.9128632490159835
Energy: 0.9640095480683798
Energy: 1.2761533868363684
Energy: 0.7174489208565269
Energy: 0.7174212537727327
Energy: 0.7174489208565269
Energy: 1.6397407298317304
Energy: 0.709497611005775
Energy: 0.7102226892093203
Energy: 0.7094976110048137
Energy: 1.452065546797596
Energy: 0.7115425342721127
Energy: 0.714914569203828
Energy: 0.711542534273074

minimum gb energy = 0.7094976110048137 eV
minimum distance =  2.28219419161211 Angstroms
sigma value = 41


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

Energy: 1.5895510257680747
Energy: 0.6445274810965653
Energy: 0.6452804017374835
Energy: 0.6677553128482704
Energy: 1.5810922940695156
Energy: 0.8525134804099386
Energy: 0.8101495272723321
Energy: 0.8525134804099386
Energy: 1.5722933786552666
Energy: 0.8531241478156796
Energy: 0.8111377848426559
Energy: 0.8531241478156796
Energy: 1.2724464882743978
Energy: 0.8586103448158187
Energy: 1.1191915378352408
Energy: 0.8586103448126662
Energy: 1.578422293768735
Energy: 1.1161519162090057
Energy: 1.1222499120179843
Energy: 1.1161519162090057
Energy: 1.2636816892965825
Energy: 1.1304462718560735
Energy: 1.1195389907212703
Energy: 1.1304462718568615
Energy: 1.2690136257044884
Energy: 1.1739055983319895
Energy: 1.4226984354747647
Energy: 1.1739055983319895
Energy: 1.2747313195549814
Energy: 1.1307790784598946
Energy: 1.12425326084137
Energy: 1.1307790784606828
Energy: 0.9736148746605903
Energy: 1.1189641163592443
Energy: 1.41860491722009
Energy: 1.1189641163600323
Energy: 0.9738437566433681
Energy: 1.1162130425051644
Energy: 1.5811522575603367
Energy: 1.1162130425067407
Energy: 0.8094838109242437
Energy: 0.8567616464829243
Energy: 1.4185652937126738
Energy: 0.8567616463734523
Energy: 0.8095827877094043
Energy: 0.852609923786325
Energy: 1.7335542740542131
Energy: 0.852609923786325
Energy: 0.813920553309026
Energy: 0.8538134523692889
Energy: 1.7358711970108989
Energy: 0.8538134523677127
Energy: 0.6391180861505953
Energy: 0.6458631648581964
Energy: 1.4283734195598188
Energy: 0.6458631648581964
Energy: 0.6404328941243411
Energy: 0.6391429811860883
Energy: 1.7401430630355934
Energy: 0.6391429811853001
Energy: 0.6446552859906987
Energy: 0.6404702607850566
Energy: 1.5763990388621258
Energy: 0.6404702607858447
Energy: 0.8165736862697597
Energy: 0.8556586570595197
Energy: 1.5806956067628886
Energy: 0.855658657043758
Energy: 0.810576974861634
Energy: 0.8517833420256481
Energy: 1.5770466055004824
Energy: 0.8517833420264362
Energy: 0.8161857768953262
Energy: 0.8583797285961328
Energy: 1.2676530634988408
Energy: 0.8583797285961328
Energy: 1.1243377037026372
Energy: 1.1199748427237024
Energy: 1.2653925588680555
Energy: 1.1199748427237024
Energy: 1.128281426459659
Energy: 1.1146616484269587
Energy: 1.4223644303363514
Energy: 1.1146616484277467
Energy: 1.1257648702317093
Energy: 1.1275689357274108
Energy: 1.2698551464239172
Energy: 1.127568935728199
Energy: 1.4185789630041623
Energy: 1.1702452208570628
Energy: 1.2631760012422917
Energy: 1.1702452208570628
Energy: 1.1264435431214364
Energy: 1.1294471052373918
Energy: 1.1242998445957855
Energy: 1.1294471052366037
Energy: 1.4240634579534903
Energy: 1.114862232792192
Energy: 0.9796290526645963
Energy: 1.1148622327914035
Energy: 1.4213633529024252
Energy: 1.1206045911886842
Energy: 1.1213910489583474
Energy: 1.1206045911886842
Energy: 1.423529179444629
Energy: 0.9174763877797337
Energy: 0.8174336051012218
Energy: 0.9174763877789457
Energy: 1.7375738604935584
Energy: 0.8525634290322527
Energy: 0.8102112309253118
Energy: 0.8525634290314645
Energy: 1.4245569948076369
Energy: 0.8549218357479396
Energy: 0.8154176266553087
Energy: 0.8549218357479396
Energy: 1.4222375037592128
Energy: 0.6409564116320068
Energy: 0.64566270623353
Energy: 0.6409564116327949
Energy: 1.7346574200257063
Energy: 0.6395242665029466
Energy: 0.6397751379038212
Energy: 0.6395242665029466
Energy: 1.5824403697537064
Energy: 0.6449900782274482
Energy: 0.6384949690651408
Energy: 0.6449900782274482

minimum gb energy = 0.6384949690651408 eV
minimum distance =  2.28771979298119 Angstroms
sigma value = 15


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

Energy: 1.4025369970834467
Energy: 0.5919812828278878
Energy: 0.5928379242422228
Energy: 0.6105754271584287
Energy: 1.6676083485898752
Energy: 0.7719740738084826
Energy: 0.7359718957094532
Energy: 0.7719740738084826
Energy: 1.6609900256216754
Energy: 0.7716322077000768
Energy: 0.7354203928635137
Energy: 0.7716322076994091
Energy: 1.4004123915740418
Energy: 0.9547519808169334
Energy: 1.0151417188559393
Energy: 0.954751980780882
Energy: 1.667826456190066
Energy: 1.0022303480649046
Energy: 1.0038111458541892
Energy: 1.0022303480655723
Energy: 1.389970701107377
Energy: 1.0756656531329432
Energy: 1.0026095923417273
Energy: 1.0756656531316078
Energy: 1.1288625293388448
Energy: 1.0771727834328237
Energy: 1.2634239225898307
Energy: 1.0771727834321563
Energy: 1.3963492720177413
Energy: 1.0752242827992304
Energy: 1.0052605729035025
Energy: 1.0752242827985627
Energy: 1.1263145232422354
Energy: 1.074509791491852
Energy: 1.2578215848882763
Energy: 1.0745097914925197
Energy: 1.1251036605737565
Energy: 1.0740043612686159
Energy: 1.52451880690638
Energy: 1.0740043612686159
Energy: 1.0131794807422
Energy: 1.0284017086339325
Energy: 1.2687241715394393
Energy: 1.028401708635268
Energy: 0.8784494071484611
Energy: 0.9487600557142611
Energy: 1.5247157836153749
Energy: 0.9487600557122583
Energy: 1.0043962176084875
Energy: 1.0037480081810706
Energy: 1.524909145086389
Energy: 1.003748008181738
Energy: 0.7489224451973617
Energy: 0.7777487894884293
Energy: 1.265922912857891
Energy: 0.777748788547512
Energy: 0.7351495136096264
Energy: 0.7707063068185525
Energy: 1.7992827282679005
Energy: 0.7707063068152143
Energy: 0.7430188262686871
Energy: 0.7736696997673885
Energy: 1.5286861517216832
Energy: 0.7736696997660533
Energy: 0.5969876849688613
Energy: 0.5887304745856413
Energy: 1.5325804384379325
Energy: 0.588730474586309
Energy: 0.5853935094070186
Energy: 0.5851416083632516
Energy: 1.6665098621500665
Energy: 0.5851416083632516
Energy: 0.5958627484394624
Energy: 0.5883372292043921
Energy: 1.39478448681835
Energy: 0.5883372292037246
Energy: 0.7392621946944354
Energy: 0.7747350304933346
Energy: 1.6665481541903249
Energy: 0.7747350304933346
Energy: 0.7483077752473736
Energy: 0.7700852421196979
Energy: 1.6670748353397733
Energy: 0.7700852421196979
Energy: 0.7462300937578055
Energy: 0.7754939757028345
Energy: 1.3980042667754435
Energy: 0.7754939757014992
Energy: 1.0045062898455057
Energy: 1.0037437665716913
Energy: 1.388643242647979
Energy: 1.0037437665730267
Energy: 1.0059006490882831
Energy: 0.9490176018499061
Energy: 1.5278194575986217
Energy: 0.9490176018565825
Energy: 1.0120982083925694
Energy: 1.0292991679284733
Energy: 1.1341083222955302
Energy: 1.029299167921797
Energy: 1.2579098708944292
Energy: 1.0728868179980502
Energy: 1.5261287373047057
Energy: 1.0728868179973825
Energy: 1.0026681398519788
Energy: 1.0742811890117308
Energy: 1.2599240588927914
Energy: 1.0742811890117308
Energy: 1.266756497614502
Energy: 1.0786156387525807
Energy: 1.133883335758759
Energy: 1.0786156387519132
Energy: 1.261467561286458
Energy: 1.0766182808732614
Energy: 1.263210131858986
Energy: 1.0766182808719262
Energy: 1.2582703457697448
Energy: 1.012518890092109
Energy: 1.0044988198085412
Energy: 1.012518890092109
Energy: 1.5341257833454311
Energy: 0.9488146208915789
Energy: 0.8782588045226873
Energy: 0.9488146208935817
Energy: 1.2646156437854816
Energy: 1.0038682114520614
Energy: 1.0140770924016684
Energy: 1.0038682114507262
Energy: 1.5256661710989097
Energy: 0.7700036787624531
Energy: 0.7364950167571058
Energy: 0.7700036787637884
Energy: 1.6693496165671962
Energy: 0.7716285757307874
Energy: 0.7349737435708986
Energy: 0.7716285757287845
Energy: 1.5391755926708588
Energy: 0.5930729989859677
Energy: 0.8370170270341604
Energy: 0.5930729989853
Energy: 1.799531639297085
Energy: 0.5877078887692592
Energy: 0.5906699321152019
Energy: 0.5877078887692592
Energy: 1.659906269339786
Energy: 0.5869891469230433
Energy: 0.5889005241510784
Energy: 0.5869891469237108

minimum gb energy = 0.5851416083632516 eV
minimum distance =  2.28979624030708 Angstroms
sigma value = 85


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

Energy: 1.4873731679148137
Energy: 0.5179670430506375
Energy: 0.5533565929677593
Energy: 0.5550421843412793
Energy: 1.7044232636879144
Energy: 0.6845052011119406
Energy: 0.6545269043761028
Energy: 0.6845052011119406
Energy: 1.465652223463748
Energy: 0.68435948726998
Energy: 0.6536037094090178
Energy: 0.68435948726998
Energy: 1.2259962368494317
Energy: 0.8419105112487031
Energy: 0.8913516345695797
Energy: 0.8419105112492822
Energy: 1.7053557463545346
Energy: 0.888488721352147
Energy: 0.8921698937683133
Energy: 0.888488721352147
Energy: 1.228035818254653
Energy: 0.8424173375441691
Energy: 0.8930304804151075
Energy: 0.8424173375413003
Energy: 1.2322075061708224
Energy: 0.9160723173945844
Energy: 1.1210663819109306
Energy: 0.9160723173945844
Energy: 1.3477793755917997
Energy: 0.9157580006835571
Energy: 0.903443013293323
Energy: 0.915758000682978
Energy: 1.2323476011929724
Energy: 0.9859921271354666
Energy: 1.1165083816617047
Energy: 0.9859921271348876
Energy: 1.2311884802834134
Energy: 0.9844767146347717
Energy: 1.3477418935940313
Energy: 0.9844767146347717
Energy: 1.115366900022469
Energy: 0.9673650606802361
Energy: 1.1135225815426184
Energy: 0.9673650606802361
Energy: 1.0020273640835176
Energy: 0.9609036229038455
Energy: 1.3486690013576648
Energy: 0.9609036229038455
Energy: 1.1151448408776599
Energy: 0.9616878873308495
Energy: 1.3478587629075378
Energy: 0.9616878873308495
Energy: 0.8915406215622644
Energy: 0.8430681847624455
Energy: 1.1115623993952983
Energy: 0.8430681847624455
Energy: 0.8055576881484885
Energy: 0.8892883790586292
Energy: 1.5842411535121719
Energy: 0.8892883790592083
Energy: 0.8957536124428493
Energy: 0.8431604163830025
Energy: 1.3485047187486223
Energy: 0.8431604163835815
Energy: 0.651954717497628
Energy: 0.6854926388871169
Energy: 1.3464887294058596
Energy: 0.6854926388865379
Energy: 0.652075525410798
Energy: 0.682775690074327
Energy: 1.703402966463081
Energy: 0.682775690074327
Energy: 0.6505008034407967
Energy: 0.6884654945359984
Energy: 1.5849017129520333
Energy: 0.6884654945348404
Energy: 0.5174403207097088
Energy: 0.5223905422743327
Energy: 1.585123400737394
Energy: 0.5223905422743327
Energy: 0.5183875806498294
Energy: 0.5177701996181809
Energy: 1.7038149489925676
Energy: 0.5177701996181809
Energy: 0.5174674457131294
Energy: 0.5177630681429516
Energy: 1.464226162072118
Energy: 0.5177630681429516
Energy: 0.6541954552470595
Energy: 0.6871531477844132
Energy: 1.7065716906847592
Energy: 0.687153147784992
Energy: 0.6511787352058964
Energy: 0.682959384484755
Energy: 1.7048975667763324
Energy: 0.6829593844703057
Energy: 0.6518817606677049
Energy: 0.6829962144939036
Energy: 1.2256426328660608
Energy: 0.6829962144678472
Energy: 0.8918024383733073
Energy: 0.8423153217717214
Energy: 1.7015538849346525
Energy: 0.8423153217699845
Energy: 0.8912683020909363
Energy: 0.8428387998494629
Energy: 1.4644704021629886
Energy: 0.8428387998506209
Energy: 1.1151203468059996
Energy: 0.8445310818393967
Energy: 1.2276721265523654
Energy: 0.8445310818399756
Energy: 1.117521957110196
Energy: 0.9158679250342645
Energy: 1.4713873693844788
Energy: 0.9158679250342645
Energy: 1.1152744472528664
Energy: 0.9597310726104387
Energy: 1.2291853217684128
Energy: 0.9597310726104387
Energy: 1.3510899998896209
Energy: 0.9840393670489643
Energy: 1.0005991697751973
Energy: 0.9840393670489643
Energy: 1.1177662717557844
Energy: 0.9832676619413531
Energy: 1.3521487107241656
Energy: 0.9832676619401949
Energy: 1.3473678606005484
Energy: 0.9668146797557845
Energy: 0.9983941466819735
Energy: 0.9668146797563635
Energy: 1.5824181297873225
Energy: 0.9615152366683907
Energy: 0.9990608530123086
Energy: 0.9615152366683907
Energy: 1.1112661508200556
Energy: 0.8431066704208997
Energy: 1.0642503505043943
Energy: 0.8431066704197416
Energy: 1.5829013245092833
Energy: 0.8896299651205184
Energy: 0.892053612976334
Energy: 0.8896299651205184
Energy: 1.5848991348785701
Energy: 0.8425312553313979
Energy: 0.8919419163779723
Energy: 0.842531255330819
Energy: 1.3465065288541889
Energy: 0.6826955243101114
Energy: 0.6519133923159836
Energy: 0.6826955243101114
Energy: 1.8203416853949146
Energy: 0.6828099837672617
Energy: 0.6523521917842487
Energy: 0.6828099837666826
Energy: 1.5877694284279176
Energy: 0.6879223100253075
Energy: 0.6524005736472931
Energy: 0.6879223100253075
Energy: 1.344884110741202
Energy: 0.5179037233720636
Energy: 0.5174630002204683
Energy: 0.5179037233720636
Energy: 1.7037140939918385
Energy: 0.5176454777260373
Energy: 0.5180291350661674
Energy: 0.5176454777266164
Energy: 1.468218963410417
Energy: 0.5228227618614923
Energy: 0.5175166353070858
Energy: 0.5228227618614923

minimum gb energy = 0.5174403207097088 eV
minimum distance =  2.29235203516812 Angstroms
sigma value = 113


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

Energy: 0.01863704276347171
Energy: 0.4763285090578079
Energy: 1.3392897286083827
Energy: 0.01916966483034936
Energy: 0.982803418120361
Energy: 0.11604970249563899
Energy: 0.9837369783721138
Energy: 0.11604970249563899
Energy: 0.01915890074535215
Energy: 0.1149791292079844
Energy: 0.9825537831958409
Energy: 0.11497912920842955
Energy: 0.020549025498553395
Energy: 0.1185957344727184
Energy: 0.9876535472113435
Energy: 0.11859573447227326
Energy: 0.9849981554232319
Energy: 0.11780606825254755
Energy: 0.9859276072207511
Energy: 0.11780606825254755
Energy: 0.019130643458099863
Energy: 0.11519458076230729
Energy: 0.9823205231477274
Energy: 0.11519458076230729

minimum gb energy = 0.01863704276347171 eV
minimum distance =  2.51767473886169 Angstroms
sigma value = 1