Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002
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=3.608116634190083
cohesive_energy=4.229961104259564
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=[3.8353705353009e-21, 2.3689303057333798e-20, 4.1711066489556e-20, 6.480932658660719e-20, 9.74046488993568e-20, 1.3667880472859879e-19, 1.7437770049129197e-19, 2.05963010653968e-19, 4.904679242598839e-19, 5.27521463274402e-19, 5.601978557248319e-19, 5.8758225875316e-19, 6.0942793715775e-19, 6.26374159415568e-19, 6.394879751648579e-19, 6.49692238146804e-19, 6.57642238604712e-19, 6.6379299470263795e-19, 6.68495383123428e-19, 6.7201696736496e-19, 6.74569234742922e-19, 6.763108007440799e-19, 6.773281829066699e-19, 6.776614356465419e-19, 6.77302548080526e-19, 6.76139367844242e-19, 6.740244946873619e-19, 6.70778484826878e-19, 6.6620907706671e-19, 6.601656668032619e-19, 6.52488036373134e-19, 6.430255811727299e-19, 6.323855261463359e-19, 6.22182865341024e-19, 6.13479841865136e-19, 6.079250954750579e-19, 6.01774339377132e-19, 5.832083165423399e-19, 5.358591904777379e-19, 4.3828342911387e-19, 2.6200394495801997e-19, -3.0512652906213e-20, -4.88357857632906e-19, -1.176612885183456e-18, -2.1641400883755e-18, -3.3543810880077597e-18, -4.537668641048459e-18, -5.61743956176642e-18, -6.890176636283339e-18, -8.75619971837046e-18, -1.1612464090867619e-17, -1.6314163575705e-17, -2.5074865410416998e-17, -4.210039541161799e-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: 0.016375437219863207
Energy: 0.1250699014903371
Energy: 1.6778569654902264
Energy: 0.01663241720130301
Energy: 0.12506994438001875
Energy: 2.120810751083778
Energy: 0.016632417201897644
Energy: 2.1208107506585803
Energy: 1.6778569660415918
Energy: 0.01663241720130301
Energy: 0.016375437219863207
Energy: 0.12506986579281618
Energy: 0.016632417200673398
Energy: 2.120810750291831
Energy: 0.1250698846642761
Energy: 2.1208107508314784

minimum gb energy = 0.016375437219863207 eV
minimum distance =  2.27761139221139 Angstroms
sigma value = 1


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

Energy: 1.6431243529995403
Energy: 1.0039594894707153
Energy: 0.9441221971849884
Energy: 1.0109070029389395
Energy: 0.9233897311619516
Energy: 1.0043448041178888
Energy: 0.9272553292605318
Energy: 0.9955356638973603
Energy: 0.9446886812983616
Energy: 0.9659245588597966
Energy: 1.0379160740940137
Energy: 0.9427660925433912
Energy: 0.9130031598040413
Energy: 1.1418621752273748
Energy: 0.9172396184202192
Energy: 1.141861047466174
Energy: 1.0578238226039032
Energy: 1.1165466360878034
Energy: 0.9932297062099162
Energy: 1.1165403767147597
Energy: 0.9578741658537451
Energy: 0.9367002548378697
Energy: 0.9322461841147284
Energy: 0.9667077592399004
Energy: 0.9985344149906064
Energy: 1.1953414211537905
Energy: 0.9725603898472429
Energy: 1.1957252831443506
Energy: 0.9291506047488262
Energy: 1.1447505718683364
Energy: 0.9095492682149374
Energy: 1.1447506798406646
Energy: 0.9993489847878525
Energy: 1.206227377331946
Energy: 0.9960252971604608
Energy: 1.2062273776661874
Energy: 0.9103029734620296
Energy: 1.236565705086293
Energy: 0.9155785075212901
Energy: 1.2365657016196254
Energy: 0.9786069760114359
Energy: 1.2250019565796726
Energy: 1.133482419543452
Energy: 1.2250019564377155
Energy: 0.9347725147304881
Energy: 1.2366363001790195
Energy: 0.9180660192041794
Energy: 1.23663494009701
Energy: 1.0430965998222694
Energy: 1.2080119683648667
Energy: 0.9528044079529013
Energy: 1.208011961745989
Energy: 0.9372267468083532
Energy: 1.229183037232644
Energy: 0.9402573099446583
Energy: 1.2291828243135128
Energy: 1.275139609233251
Energy: 1.1131299021711116
Energy: 0.9805610318695784
Energy: 1.1131320436770082
Energy: 0.9130843462232603
Energy: 1.1036292920857251
Energy: 0.9782827813643675
Energy: 1.1067378006407513
Energy: 0.884254923808029
Energy: 0.9169366357758447
Energy: 1.0257648484215844
Energy: 0.9169434135298228
Energy: 0.9171062974325416
Energy: 0.967456996180147
Energy: 0.85047013335523
Energy: 0.9674165582170641
Energy: 1.2905485073602145
Energy: 1.0059342228506738
Energy: 0.8856297141194497
Energy: 1.005934222765222
Energy: 0.9798205483882945
Energy: 0.9089314561905018
Energy: 0.8834012469243875
Energy: 0.9086730798816922
Energy: 0.9637884154122673
Energy: 1.123802680748862
Energy: 1.0898149515828357
Energy: 1.1238026784232653
Energy: 0.9291687467613068
Energy: 1.075486309126742
Energy: 0.9841067650167633
Energy: 1.085490566825734
Energy: 1.0638388841719002
Energy: 1.2139863281224974
Energy: 0.97915582537813
Energy: 1.2139877176802751
Energy: 0.923584737810629
Energy: 1.2372533041453693
Energy: 0.9224085724214368
Energy: 1.2372532983881603
Energy: 0.9833480358514489
Energy: 1.210058462739524
Energy: 0.9837899540916252
Energy: 1.2100584627143953
Energy: 0.918671232059379
Energy: 1.2210307987210935
Energy: 0.9229035406956418
Energy: 1.2210308105215775
Energy: 1.1329985597493188
Energy: 1.2194565779161408
Energy: 1.0014304620905272
Energy: 1.2194565778687987
Energy: 0.8930981107948459
Energy: 1.249363920723854
Energy: 0.9413700213107574
Energy: 1.2493640118017653
Energy: 0.9566592183491646
Energy: 1.214969029205455
Energy: 1.038084401898825
Energy: 1.2149690527622041
Energy: 0.9393994772216423
Energy: 1.2243611520154636
Energy: 0.9453390924559474
Energy: 1.2243714676374753
Energy: 0.9742918097107433
Energy: 1.091094280389336
Energy: 0.9499033880808094
Energy: 1.0910951421446733
Energy: 1.049696005239548
Energy: 1.093955359322344
Energy: 0.9773484609205586
Energy: 1.0974566345071308
Energy: 1.0772242560386198
Energy: 0.9389445512003346
Energy: 0.8815168520014401
Energy: 0.9390317018086233

minimum gb energy = 0.85047013335523 eV
minimum distance =  2.24189270592938 Angstroms
sigma value = 1


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

Energy: 2.137837788330081
Energy: 1.0559177474652715
Energy: 1.026540679101952
Energy: 1.1112596530118308
Energy: 0.9751350466075425
Energy: 1.0427308556234705
Energy: 0.9650237741636631
Energy: 1.0656178053380785
Energy: 0.9989357123650286
Energy: 0.9949312529604719
Energy: 1.3066155773068362
Energy: 0.9756905699125573
Energy: 0.9456433924310834
Energy: 1.2102594739860186
Energy: 0.9678698835194545
Energy: 1.1514139224850084
Energy: 1.070012592271839
Energy: 1.167252437901214
Energy: 1.0695419729914653
Energy: 1.182997819188689
Energy: 1.0227587276306807
Energy: 0.9622350172822776
Energy: 1.015846304301637
Energy: 0.9974715527298663
Energy: 1.0763779415207746
Energy: 1.2967154520471407
Energy: 1.3393346774513035
Energy: 1.2967154598618145
Energy: 0.9762718767648934
Energy: 1.2140518010327004
Energy: 0.9763467570621194
Energy: 1.2140517843512095
Energy: 1.0019961610146333
Energy: 1.3018360275961725
Energy: 1.1774377407614012
Energy: 1.301836027604008
Energy: 0.9827379319829886
Energy: 1.3111693553202441
Energy: 0.9932567346313101
Energy: 1.3111693430812834
Energy: 1.1666183950774096
Energy: 1.2854762321945286
Energy: 1.1660695601024353
Energy: 1.2854762321544797
Energy: 0.998091533368204
Energy: 1.3153753778161146
Energy: 0.9169768867629732
Energy: 1.3154256616741964
Energy: 1.044379479320093
Energy: 1.1691203979880407
Energy: 1.1362284876200013
Energy: 1.1691206377413752
Energy: 1.0253416311122374
Energy: 1.1498697812668661
Energy: 1.0249148010415183
Energy: 1.185416116494093
Energy: 1.046797165020434
Energy: 1.0006850391641797
Energy: 0.9357200561022013
Energy: 1.0008207376975051
Energy: 1.1497671472608928
Energy: 0.9426768670829587
Energy: 0.950720391103815
Energy: 0.9667505825860264
Energy: 0.9297506338054617
Energy: 0.9901976141910681
Energy: 1.1096836577239948
Energy: 0.9719803494341606
Energy: 0.9560455666049706
Energy: 0.9841644691458391
Energy: 0.924598948914001
Energy: 0.9841636929039155
Energy: 1.0983335742755387
Energy: 1.1955389236323142
Energy: 1.0339252071228646
Energy: 1.189784712747453
Energy: 0.9618997222023165
Energy: 1.1459905419099976
Energy: 0.989836607410176
Energy: 1.1459962464590203
Energy: 1.0661931727508986
Energy: 1.3052135454060345
Energy: 1.0572229616798736
Energy: 1.3052135454260587
Energy: 0.9967124012985272
Energy: 1.294347579948141
Energy: 1.03043599577072
Energy: 1.2943496755048298
Energy: 1.0201261209657506
Energy: 1.2980877918887936
Energy: 1.1781059665898566
Energy: 1.2980877918087363
Energy: 0.97829771591501
Energy: 1.3402393028417199
Energy: 0.9969486225961487
Energy: 1.3402393063948734
Energy: 1.118261302237484
Energy: 1.314768482110007
Energy: 1.0869516017137169
Energy: 1.3147684819516332
Energy: 1.0157961438303793
Energy: 1.3030241344073266
Energy: 0.9900018676694357
Energy: 1.3030249945692234
Energy: 1.0465528908648742
Energy: 1.1555224294007689
Energy: 1.120747937439474
Energy: 1.15553991974444
Energy: 1.0449321492553973
Energy: 1.1800392415446124
Energy: 1.0419509433886407
Energy: 1.179775872939539
Energy: 1.1663036894402896
Energy: 1.0313021203052724
Energy: 0.9335968117895864
Energy: 1.031301305794865

minimum gb energy = 0.9169768867629732 eV
minimum distance =  2.22979479443011 Angstroms
sigma value = 25


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

Energy: 1.1856026332943943
Energy: 0.9953099988860822
Energy: 1.0884510391097244
Energy: 1.1811909994256238
Energy: 1.0214827690844965
Energy: 1.1513748809470172
Energy: 1.011708282232434
Energy: 1.1587518400123462
Energy: 1.0177457101388925
Energy: 0.992108783626585
Energy: 1.0945717688465617
Energy: 0.9861487084964425
Energy: 1.0112144564361778
Energy: 1.2573981422118619
Energy: 1.0037405089662323
Energy: 1.2311519432110645
Energy: 1.063804400553279
Energy: 1.2677938120331869
Energy: 1.14416219825626
Energy: 1.2687004208481363
Energy: 1.1580044689973683
Energy: 1.250209280676738
Energy: 1.0559066855265753
Energy: 1.25021419842192
Energy: 1.222455758750569
Energy: 1.39842638470143
Energy: 1.1493226063814925
Energy: 1.398426384717623
Energy: 1.0568616682748513
Energy: 1.4085684976500958
Energy: 1.0542708747254834
Energy: 1.4085276548115717
Energy: 1.1752626509591602
Energy: 1.3995885769378251
Energy: 1.2882086670319073
Energy: 1.3995885732413635
Energy: 1.1065429208799293
Energy: 1.4316786353851658
Energy: 1.0524664153251917
Energy: 1.4316786065589127
Energy: 1.1085903431648845
Energy: 1.2480174784333697
Energy: 1.1250580289734837
Energy: 1.2480174988054948
Energy: 1.0532130690975166
Energy: 1.2590245315269626
Energy: 1.0772896060367296
Energy: 1.2530101869904111
Energy: 1.0038910428952175
Energy: 1.03043404374383
Energy: 1.0448815158440137
Energy: 1.0304366900279414
Energy: 1.0018322386659728
Energy: 1.0106885343659808
Energy: 0.9453034584699427
Energy: 1.0430727346917643
Energy: 1.0955071868651576
Energy: 1.1087549134374914
Energy: 1.0046454612654296
Energy: 1.108792289197267
Energy: 1.2291921484058954
Energy: 1.0285493385793636
Energy: 1.0188683330009476
Energy: 1.0285484311006534
Energy: 1.1475737131431996
Energy: 1.2727407418853411
Energy: 1.1529288486969473
Energy: 1.2727321910771716
Energy: 1.0685727970283831
Energy: 1.2855400689844831
Energy: 1.194778966748526
Energy: 1.2855400893474538
Energy: 1.2414843899790042
Energy: 1.3900411109861932
Energy: 1.1581117837506594
Energy: 1.3900411101141534
Energy: 1.0541642077982691
Energy: 1.4086497965406095
Energy: 1.1147834665316325
Energy: 1.4086497448051463
Energy: 1.0390140242151473
Energy: 1.4047436816126497
Energy: 1.2548653685855822
Energy: 1.4047432531168527
Energy: 1.0664451094227216
Energy: 1.4018680288102139
Energy: 1.1018992811342678
Energy: 1.4018849980666248
Energy: 1.1263482224093146
Energy: 1.237801604071314
Energy: 1.0294862922894927
Energy: 1.2384640038382437
Energy: 1.0524230716640557
Energy: 1.2196515042635212
Energy: 1.0668240130640643
Energy: 1.2213739892377922
Energy: 1.1331704485015284
Energy: 1.001714201919757
Energy: 1.0275385663082246
Energy: 1.0013421025250637

minimum gb energy = 0.9453034584699427 eV
minimum distance =  2.23325154194971 Angstroms
sigma value = 9


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

Energy: 1.879421125158455
Energy: 1.1181995680276915
Energy: 1.1823891768428232
Energy: 1.2895223731694878
Energy: 1.1257173464551962
Energy: 1.282694154041707
Energy: 1.1242703519678459
Energy: 1.2826994476612321
Energy: 1.091332412241244
Energy: 1.0947499310468098
Energy: 1.1182628094281497
Energy: 1.1062859655829802
Energy: 1.0904663264498038
Energy: 1.3554623725020059
Energy: 1.1062978144103426
Energy: 1.3493741246187376
Energy: 1.380105587224693
Energy: 1.387505962455997
Energy: 1.247197694982683
Energy: 1.3863968807794511
Energy: 1.2369852730292625
Energy: 1.3407802343156847
Energy: 1.2097317113349622
Energy: 1.3406828503377635
Energy: 1.3614271791318207
Energy: 1.5045157978230417
Energy: 1.2879681003198682
Energy: 1.5045157155558075
Energy: 1.1871719087077148
Energy: 1.415017612958199
Energy: 1.1855453011152226
Energy: 1.4120793845696724
Energy: 1.2953669308006563
Energy: 1.3703873255662506
Energy: 1.1372971039018482
Energy: 1.3703805013348238
Energy: 1.280295040459429
Energy: 1.3922543368709919
Energy: 1.1448020205001723
Energy: 1.3738225996533169
Energy: 1.3783066887823394
Energy: 1.1178068318537129
Energy: 1.0950840585073698
Energy: 1.0953194375610202
Energy: 1.2005610451757582
Energy: 1.101903375647788
Energy: 1.10467777883876
Energy: 1.0945899800365075
Energy: 1.089617355038811
Energy: 1.126594014426805
Energy: 1.0892816106794994
Energy: 1.0978380825186538
Energy: 1.097445637439346
Energy: 1.1849489361583132
Energy: 1.0964647870658852
Energy: 1.1849431075979344
Energy: 1.3619643757676971
Energy: 1.3507168409955665
Energy: 1.2181586000824154
Energy: 1.3483462301467481
Energy: 1.252418387244071
Energy: 1.3380870911846992
Energy: 1.205228188473208
Energy: 1.3380688665250842
Energy: 1.354209838004996
Energy: 1.5139623628638692
Energy: 1.2960255841578685
Energy: 1.5139617312442557
Energy: 1.3196150313271584
Energy: 1.5314162577650896
Energy: 1.1695928109810199
Energy: 1.5314162596971486
Energy: 1.2741562518931167
Energy: 1.3712716028292575
Energy: 1.1533522905500424
Energy: 1.3712581691240313
Energy: 1.1965737867151482
Energy: 1.3459882830595176
Energy: 1.136157792375129
Energy: 1.3459896829634306
Energy: 1.14478968250108
Energy: 1.0877250003837369
Energy: 1.0864000386440233
Energy: 1.095795281383634

minimum gb energy = 1.0864000386440233 eV
minimum distance =  2.23428059937954 Angstroms
sigma value = 25


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

Energy: 1.6480981259284344
Energy: 1.368305822332509
Energy: 1.3006153990819507
Energy: 1.3809522616649885
Energy: 1.3086364573705351
Energy: 1.3655861076562255
Energy: 1.2953734388739289
Energy: 1.3655692425877521
Energy: 1.239391939208193
Energy: 1.2564392288157467
Energy: 1.6181181892474665
Energy: 1.295248921505009
Energy: 1.2379302891158344
Energy: 1.4080625175954
Energy: 1.383652695181472
Energy: 1.4080621904056498
Energy: 1.4422896738115891
Energy: 1.5160248960039344
Energy: 1.277821483540107
Energy: 1.516024895956189
Energy: 1.2657719548953836
Energy: 1.511992825210171
Energy: 1.2872035413004772
Energy: 1.5119928270503478
Energy: 1.4227675004672486
Energy: 1.501889840142828
Energy: 1.363807608594174
Energy: 1.5018898069017976
Energy: 1.404374192118619
Energy: 1.346220484318104
Energy: 1.2940738559205984
Energy: 1.347688826412871
Energy: 1.2140211254808035
Energy: 1.2196271933739955
Energy: 1.268452094874995
Energy: 1.2201202860068476
Energy: 1.284670682432571
Energy: 1.2689628494549061
Energy: 1.223981733766481
Energy: 1.2689617977725478
Energy: 1.2638847497495
Energy: 1.2834254693776492
Energy: 1.232023668507755
Energy: 1.2422816010437754
Energy: 1.2562147137001338
Energy: 1.3815990054021379
Energy: 1.2519450166788437
Energy: 1.3815989763130763
Energy: 1.2844517663216737
Energy: 1.5620808634669943
Energy: 1.4398692231764607
Energy: 1.5620808642684492
Energy: 1.314847856548343
Energy: 1.5356536384430413
Energy: 1.3689788066510025
Energy: 1.5356536446634947
Energy: 1.377186629645212
Energy: 1.5388833778951996
Energy: 1.2878766743030818
Energy: 1.538883707275801
Energy: 1.2842792271905823
Energy: 1.4828317766050627
Energy: 1.3391190500530574
Energy: 1.4828534007221008
Energy: 1.29266078463337
Energy: 1.3567392836901224
Energy: 1.21370743929488
Energy: 1.3567392816230965

minimum gb energy = 1.21370743929488 eV
minimum distance =  2.24679295867837 Angstroms
sigma value = 17


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

Energy: 1.3421667677014382
Energy: 1.4519529387641408
Energy: 1.364482919041766
Energy: 1.3329978783486358
Energy: 1.3503716272568904
Energy: 1.6479298345468303
Energy: 1.2927743721076586
Energy: 1.6479298322595826
Energy: 1.2680880752454082
Energy: 1.3220983246664422
Energy: 1.64790122609386
Energy: 1.3006574788815868
Energy: 1.2608503671403686
Energy: 1.5182358843278376
Energy: 1.3500826174229479
Energy: 1.518236006214579
Energy: 1.3931907152402583
Energy: 1.615811213842396
Energy: 1.429566657269222
Energy: 1.6158112138196026
Energy: 1.2840124912910802
Energy: 1.6112734185092925
Energy: 1.3027599675132293
Energy: 1.6112734298093472
Energy: 1.4873489004202005
Energy: 1.3622782722239144
Energy: 1.2814142147855985
Energy: 1.3622782387311085
Energy: 1.26898359595411
Energy: 1.3607002762500415
Energy: 1.336775335471105
Energy: 1.3607145019326967
Energy: 1.2673930922395644
Energy: 1.3839974475490067
Energy: 1.6256899381870937
Energy: 1.3839975761064578
Energy: 1.2577997420926335
Energy: 1.2873332738959402
Energy: 1.3556139737959172
Energy: 1.268378536528585
Energy: 1.4947098950028588
Energy: 1.4681115938812146
Energy: 1.2755954539648415
Energy: 1.468080258076661
Energy: 1.2580450555257905
Energy: 1.4911612604131723
Energy: 1.2922315246762093
Energy: 1.491161203598367
Energy: 1.28913256962995
Energy: 1.5039311390725212
Energy: 1.3718396741158372
Energy: 1.503930539392846
Energy: 1.318081168681426
Energy: 1.5019837668444789
Energy: 1.2837675408843876
Energy: 1.501984165529305
Energy: 1.2327280354140393
Energy: 1.2467031091371124
Energy: 1.2605519773121974
Energy: 1.279511092419211
Energy: 1.2572098392520306
Energy: 1.2930273019694187
Energy: 1.2710366701455977
Energy: 1.2949004231939856
Energy: 1.2725264604540736
Energy: 1.3453983762967456
Energy: 1.3264389585785679
Energy: 1.3454036761507995
Energy: 1.330633601030924
Energy: 1.3352696794034238
Energy: 1.2898327602093285
Energy: 1.333566400929484
Energy: 1.2518380907198878
Energy: 1.6220175056267567
Energy: 1.3268650466692424
Energy: 1.6220175050646888
Energy: 1.471769685723405
Energy: 1.609071905172571
Energy: 1.289022490293499
Energy: 1.6090720166070682
Energy: 1.265532005700244
Energy: 1.3497110009147135
Energy: 1.248077313008183
Energy: 1.289404892259897
Energy: 1.2789500075137212
Energy: 1.3330211666761262
Energy: 1.5676836741482332
Energy: 1.3333359945346053
Energy: 1.3545629616978585
Energy: 1.3082815958453509
Energy: 1.2824435273397699
Energy: 1.3046336066367052
Energy: 1.3465533478509768
Energy: 1.26794942224532
Energy: 1.2601957080883917
Energy: 1.2644221459390774
Energy: 1.3147606563137562
Energy: 1.5525989528343995
Energy: 1.2651553964355167
Energy: 1.5526098341652361
Energy: 1.392371273922751
Energy: 1.473423666122611
Energy: 1.5223236904179422
Energy: 1.4734235922685301
Energy: 1.2725135449657612
Energy: 1.6058677169785094
Energy: 1.3324171297266414
Energy: 1.6058676796516635
Energy: 1.372448377771417
Energy: 1.4988764204013925
Energy: 1.3375956694587592
Energy: 1.498876419540936
Energy: 1.3154928114707947
Energy: 1.580234970046183
Energy: 1.2568374580708381
Energy: 1.5802355068388503
Energy: 1.4088569885324558
Energy: 1.25179097874531
Energy: 1.2543293304861087
Energy: 1.282208130419797

minimum gb energy = 1.2327280354140393 eV
minimum distance =  2.23729958157338 Angstroms
sigma value = 53


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

Energy: 2.0467240587105144
Energy: 1.4147209482970213
Energy: 1.3605056272846265
Energy: 1.4157640139880385
Energy: 1.3335333676434287
Energy: 1.2715912617240637
Energy: 1.2804997418254631
Energy: 1.25532771837713
Energy: 1.3073679627113999
Energy: 1.39972076370028
Energy: 1.6687975937472006
Energy: 1.39971651465585
Energy: 1.2953648167784477
Energy: 1.3917011971789037
Energy: 1.4541324872780441
Energy: 1.3917008009336582
Energy: 1.3523953742689943
Energy: 1.4812603769807229
Energy: 1.3207647250029053
Energy: 1.4812603959999313
Energy: 1.5756208771991762
Energy: 1.3627819150784863
Energy: 1.2055393673591273
Energy: 1.3672956998536898
Energy: 1.2419378976857027
Energy: 1.2954250585334652
Energy: 1.2670404690229737
Energy: 1.227925404961913
Energy: 1.2428215698870226
Energy: 1.2848871192230014
Energy: 1.2700469666466703
Energy: 1.2670139213034588
Energy: 1.3402972833480793
Energy: 1.2296281501805029
Energy: 1.501290477013615
Energy: 1.2452574446508373
Energy: 1.3251313825765605
Energy: 1.3817437463632563
Energy: 1.3403556134972203
Energy: 1.3817438589101256
Energy: 1.4125923027896463
Energy: 1.3684001358953133
Energy: 1.2204091360936131
Energy: 1.3752545246388934
Energy: 1.3639896717318385
Energy: 1.328179368458115
Energy: 1.296264270525912
Energy: 1.3254657115807704
Energy: 1.2406523480846257
Energy: 1.303437773630054
Energy: 1.2621533728787455
Energy: 1.305530706977509

minimum gb energy = 1.2055393673591273 eV
minimum distance =  2.24824301579042 Angstroms
sigma value = 9


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

Energy: 2.06120620157538
Energy: 1.3185760213723263
Energy: 1.4418452664482713
Energy: 1.341510126208644
Energy: 1.4150643668894738
Energy: 1.882309537482754
Energy: 1.3714817509970285
Energy: 1.8823095374280594
Energy: 1.2507523276429402
Energy: 1.3213145191447273
Energy: 1.414066183079233
Energy: 1.3601462576310255
Energy: 1.2664943696051951
Energy: 1.3109005149582533
Energy: 1.363909283978636
Energy: 1.3296136968209293
Energy: 1.3577981712957987
Energy: 1.4936150740685996
Energy: 1.3718042926335234
Energy: 1.4936150848602279
Energy: 1.3722828085689174
Energy: 1.5369773884773752
Energy: 1.5275102899631825
Energy: 1.5369923575904103
Energy: 1.423576127580612
Energy: 1.3603303715990993
Energy: 1.3379096827173194
Energy: 1.3603303683033985
Energy: 1.6614780857522027
Energy: 1.3263244134980539
Energy: 1.2915505052575413
Energy: 1.324147346872453
Energy: 1.2583059043858518
Energy: 1.4674394155294068
Energy: 1.5012201634471498
Energy: 1.467437704908387
Energy: 1.4286379344431246
Energy: 1.5477430467912712
Energy: 1.3590243940977071
Energy: 1.5477429239293783
Energy: 1.2932918906526258
Energy: 1.3485062001166201
Energy: 1.424599152453635
Energy: 1.3485081612891028
Energy: 1.3641619505901224
Energy: 1.5688721852508607
Energy: 1.4780748384511906
Energy: 1.5688721857305366
Energy: 1.4124981335473619
Energy: 1.4796796479749164
Energy: 1.3721366506366337
Energy: 1.4796796364832614
Energy: 1.396954554560289
Energy: 1.3374563650137314
Energy: 1.2828400551698889
Energy: 1.3374427727751972
Energy: 1.369100779641556
Energy: 1.5949269272446265
Energy: 1.264369134484133
Energy: 1.5946878072909298
Energy: 1.4436592637768946
Energy: 1.5932353844498692
Energy: 1.2797278961092668
Energy: 1.5932353844959832
Energy: 1.2970997715380428
Energy: 1.632816423321916
Energy: 1.4183671490425878
Energy: 1.6328164233233569
Energy: 1.2844938334721192
Energy: 1.3436111097560568
Energy: 1.6372376960645623
Energy: 1.3436175715563121
Energy: 1.3704569248450813
Energy: 1.7930235563934405
Energy: 1.4142127391574315
Energy: 1.793023556741325
Energy: 1.4938064536029387
Energy: 1.4437869045682743
Energy: 1.2509378223336645
Energy: 1.4437868786976067
Energy: 1.3621638579419666
Energy: 1.4162847258118276
Energy: 1.2785064929677221
Energy: 1.4162863862061306
Energy: 1.3624924330745267
Energy: 1.5548955951066767
Energy: 1.3610691261072125
Energy: 1.5548955927947605
Energy: 1.3614397338339579
Energy: 1.6310680561318325
Energy: 1.314389348048626
Energy: 1.6310680561022908
Energy: 1.3172365371709955
Energy: 1.4342499132003632
Energy: 1.4174083229201968
Energy: 1.4342499142857423
Energy: 1.2900387185673057
Energy: 1.326804979566989
Energy: 1.5714554122681628
Energy: 1.3257784837839475
Energy: 1.424163526344456
Energy: 1.8504041288553925
Energy: 1.2619198992041265
Energy: 1.8504041288431434
Energy: 1.3234703032863866
Energy: 1.5202174923906777
Energy: 1.4633364451633992
Energy: 1.5202169052558412
Energy: 1.409780984554797
Energy: 1.3131946822096274
Energy: 1.2909610523982282
Energy: 1.313202669549345
Energy: 1.4149834390656313
Energy: 1.5027631167531268
Energy: 1.2908028114204224
Energy: 1.5027631709783882
Energy: 1.409961279417626
Energy: 1.3757171336025964
Energy: 1.5048310132322391
Energy: 1.375735222921083
Energy: 1.308481047822672
Energy: 1.4108344637820118
Energy: 1.4098481689001028
Energy: 1.4108344635097827
Energy: 1.2663795490072456
Energy: 1.5015920727416938
Energy: 1.387863184103699
Energy: 1.5015919830699318
Energy: 1.2889770828577085
Energy: 1.4878031673569359
Energy: 1.3438508946956116
Energy: 1.487803179179183
Energy: 1.318704983212781
Energy: 1.7447429624559319
Energy: 1.3039745156517293
Energy: 1.7447429624062154
Energy: 1.6717148905254866
Energy: 1.3602351580564225
Energy: 1.3042215353790951
Energy: 1.3602351794717957

minimum gb energy = 1.2507523276429402 eV
minimum distance =  2.23843478127798 Angstroms
sigma value = 73


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

Energy: 2.0356246319604265
Energy: 1.2766537601869792
Energy: 1.437470963395623
Energy: 1.273810471271049
Energy: 1.3907603742918067
Energy: 1.5524120420540264
Energy: 1.412566025538287
Energy: 1.5548399295388429
Energy: 1.2976407967094268
Energy: 1.2559729240636102
Energy: 1.497006738338608
Energy: 1.2722013526440044
Energy: 1.241519234851595
Energy: 1.2586577876507232
Energy: 1.390174419648849
Energy: 1.2590852421210208
Energy: 1.353201878917776
Energy: 1.5240332561766936
Energy: 1.464843998608809
Energy: 1.5240332349687065
Energy: 1.3314607188457142
Energy: 1.5850140522540572
Energy: 1.407015146894356
Energy: 1.585013994015558
Energy: 1.5329429079076973
Energy: 1.5259956818881006
Energy: 1.3083994265842502
Energy: 1.5259957107085391
Energy: 1.4824346489765585
Energy: 1.41624288070964
Energy: 1.298442731808888
Energy: 1.4162430463180848
Energy: 1.29607648331078
Energy: 1.463117052204715
Energy: 1.4545149033361033
Energy: 1.4631202649485748
Energy: 1.4642102562121215
Energy: 1.4798571846978374
Energy: 1.2650531730333778
Energy: 1.546096262688824
Energy: 1.3032562754460533
Energy: 1.307307757811272
Energy: 1.4584744403759113
Energy: 1.307307586789981
Energy: 1.3717651113447908
Energy: 1.2379702000801966
Energy: 1.5263811004388839
Energy: 1.2371663556679156
Energy: 1.4270425868469943
Energy: 1.4878799238557454
Energy: 1.3783544783085697
Energy: 1.4877473410044995
Energy: 1.487885859378864
Energy: 1.435708619028961
Energy: 1.3203303400359856
Energy: 1.4322262524452403
Energy: 1.3217673031374624
Energy: 1.4076132765508331
Energy: 1.2370722036918507
Energy: 1.4041501592311976
Energy: 1.348237886929471
Energy: 1.250852257422277
Energy: 1.2490959679991047
Energy: 1.251474143728281
Energy: 1.3956566452126755
Energy: 1.7469437271620218
Energy: 1.343438029211571
Energy: 1.7469437265289869
Energy: 1.393600402251183
Energy: 1.4173600994833064
Energy: 2.4992063562922295
Energy: 1.3210606921681813
Energy: 1.296905417764439
Energy: 1.3308762649970372
Energy: 1.4323405747879796
Energy: 1.380901063268654
Energy: 1.494023889740249
Energy: 1.3940989850062961
Energy: 1.2940089565859663
Energy: 1.3922292022539988
Energy: 1.277040459125494
Energy: 1.7601471364807726
Energy: 1.3006423600371317
Energy: 1.7601471364350716
Energy: 1.6201534438834786
Energy: 1.2821889025977382
Energy: 1.2831611884037333
Energy: 1.282180614214791

minimum gb energy = 1.2370722036918507 eV
minimum distance =  2.23749525718247 Angstroms
sigma value = 7


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

Energy: 2.5248704017726293
Energy: 1.3012818213570452
Energy: 1.43137740481516
Energy: 1.3033663758120626
Energy: 1.3643133738562527
Energy: 1.701043092860872
Energy: 1.361918953458951
Energy: 1.701043090920062
Energy: 1.2582220626406724
Energy: 1.506496974772361
Energy: 1.613067499417147
Energy: 1.5064429956045766
Energy: 1.257783767643485
Energy: 1.344753325099715
Energy: 1.3647476162477454
Energy: 1.344753253131206
Energy: 1.2451361206717193
Energy: 1.2723337871744929
Energy: 1.5069530603858357
Energy: 1.2723530291844933
Energy: 1.3894604893266016
Energy: 1.5563472676223402
Energy: 1.5190770226587398
Energy: 1.5563472675277998
Energy: 1.6790520328295342
Energy: 1.4905946041239195
Energy: 1.3566836892252114
Energy: 1.4905948594876555
Energy: 1.6353976070614877
Energy: 1.3537041235725338
Energy: 1.310353048801733
Energy: 1.3537090222047408
Energy: 1.3156621938889248
Energy: 1.296061341173314
Energy: 1.4015764817434055
Energy: 1.3482426751777778
Energy: 1.4889220503143366
Energy: 1.8141365084118564
Energy: 1.2349086529001811
Energy: 1.8141364888415006
Energy: 1.3076356621282537
Energy: 1.4940405658809317
Energy: 1.419898063677078
Energy: 1.494040551954397
Energy: 1.2728400429185815
Energy: 1.32630622611496
Energy: 1.6785411943460926
Energy: 1.3262988119534405
Energy: 1.2723236719302882
Energy: 1.6250445414582122
Energy: 1.3053188385878147
Energy: 1.6250773647656074
Energy: 1.2774672651623595
Energy: 1.7144734366594927
Energy: 1.2843764523470678
Energy: 1.7144734367556496
Energy: 1.3829469433758268
Energy: 1.6567155182579167
Energy: 1.2834663159480566
Energy: 1.656715517068541
Energy: 1.7568242673124579
Energy: 1.295283550014648
Energy: 1.2691012541716356
Energy: 1.295287856410112
Energy: 1.7082167669483272
Energy: 1.3471307443238234
Energy: 1.3558073950821412
Energy: 1.350980356800338
Energy: 1.2381359761686968
Energy: 1.7570862424307165
Energy: 1.5186544607608254
Energy: 1.757086242668261
Energy: 1.359633238084591
Energy: 1.4051333502324255
Energy: 1.4191741194810819
Energy: 1.4220924983615333
Energy: 1.313371946809312
Energy: 1.2739645617855544
Energy: 1.4360710729475614
Energy: 1.269531807616857
Energy: 1.35780478665866
Energy: 1.6510586179143956
Energy: 1.5185246031830917
Energy: 1.6510586182666889
Energy: 1.6693090227881
Energy: 1.5296460074054168
Energy: 1.3545451085789701
Energy: 1.5296460283452629
Energy: 1.6482614895212293
Energy: 1.320268663899058
Energy: 1.2774540121821099
Energy: 1.3194882801570613
Energy: 1.3705101987315467
Energy: 1.2885996817673981
Energy: 1.231872993413001
Energy: 1.2825686101347995
Energy: 1.4742344275238832
Energy: 1.3007892731217032
Energy: 1.2281143290130543
Energy: 1.2954062844044028
Energy: 1.4195639392907486
Energy: 1.657177823044087
Energy: 1.353720058638784
Energy: 1.6571771402680031
Energy: 1.2984377240544867
Energy: 1.330232581115669
Energy: 2.2250482113422616
Energy: 1.345713038015942
Energy: 1.3078107729739148
Energy: 1.5112687782249197
Energy: 1.353283825085976
Energy: 1.5134980676347223
Energy: 1.4263971095443198
Energy: 1.3246423958499616
Energy: 1.2856715402634946
Energy: 1.3255220025078887
Energy: 1.2792725200924888
Energy: 1.7084613966701394
Energy: 1.2928070886261296
Energy: 1.7084613966693312
Energy: 1.6032006291387362
Energy: 1.2926956789895605
Energy: 1.2831154620930867
Energy: 1.2926983746304384

minimum gb energy = 1.2281143290130543 eV
minimum distance =  2.23609489711847 Angstroms
sigma value = 29


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

Energy: 1.3907983023745216
Energy: 1.521972094839491
Energy: 1.3650677281592045
Energy: 1.7372515905418267
Energy: 1.2009782448669275
Energy: 1.2324658258146497
Energy: 1.1545255282072124
Energy: 1.2324675857653598
Energy: 1.1470491283292412
Energy: 1.4930359025441602
Energy: 1.3280255780504018
Energy: 1.4930366774583956
Energy: 1.1262453942922446
Energy: 1.2858592559560145
Energy: 1.196963014928409
Energy: 1.4065183833281463
Energy: 1.2198670770429976
Energy: 1.5204012647242688
Energy: 1.1292128550487388
Energy: 1.5202611438329832
Energy: 1.1949671569625608
Energy: 1.244118028395828
Energy: 1.1504740234957958
Energy: 1.2441180714701787
Energy: 1.300135486213501
Energy: 1.3531934403485286
Energy: 1.156822588658552
Energy: 1.351169921368878
Energy: 1.1541522170610243
Energy: 1.159777912725547
Energy: 1.1313972157835137
Energy: 1.162709770283769
Energy: 1.1438720901373667
Energy: 1.4512633653462075
Energy: 1.3254239096282938
Energy: 1.471058598237116

minimum gb energy = 1.1262453942922446 eV
minimum distance =  2.23516013870094 Angstroms
sigma value = 5


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

Energy: 1.8868517566605554
Energy: 1.1619926662098332
Energy: 1.341068483644066
Energy: 1.2930990077922642
Energy: 1.4790337800618119
Energy: 1.1217133755849884
Energy: 1.3457501297346148
Energy: 1.1275022963260415
Energy: 1.3415573067325677
Energy: 1.19831240563325
Energy: 1.3571554674927961
Energy: 1.1959877769921048
Energy: 1.2198267778841663
Energy: 1.4827476161189157
Energy: 1.3344044346549389
Energy: 1.4804554411306232
Energy: 1.3247810845816685
Energy: 1.1582066158375066
Energy: 1.556286065285148
Energy: 1.158486351052071
Energy: 1.1491368687728456
Energy: 1.150592577580195
Energy: 1.5502723775267893
Energy: 1.1505932236366805
Energy: 1.1767029073236006
Energy: 1.1901751483003369
Energy: 1.484124478857292
Energy: 1.1901758680723793
Energy: 1.1129298347136343
Energy: 1.4366793063502612
Energy: 1.5999018108322274
Energy: 1.4366792790673644
Energy: 1.4617883978903714
Energy: 1.4107285474773588
Energy: 1.5433757009959146
Energy: 1.4107282532498078
Energy: 1.586028691487489
Energy: 1.4272191386547968
Energy: 1.131711531440716
Energy: 1.4272131479314196
Energy: 1.4527687491771608
Energy: 1.127682211678987
Energy: 1.109330411291801
Energy: 1.1276804376224376
Energy: 1.5703790637629798
Energy: 1.1681441499663505
Energy: 1.107195744688146
Energy: 1.168044076859523
Energy: 1.57712530950579
Energy: 1.4256227261637482
Energy: 1.4479650629714462
Energy: 1.4256225826326703
Energy: 1.3001740370021286
Energy: 1.6504411917162678
Energy: 1.3400300139231314
Energy: 1.6504410328088457
Energy: 1.1114409966572452
Energy: 1.169919654039314
Energy: 1.3370097518194708
Energy: 1.169925254932651
Energy: 1.1038525535459298
Energy: 1.2155588353924343
Energy: 1.4791889399083697
Energy: 1.2155575931453322
Energy: 1.1615158425538017
Energy: 1.2823302255698368
Energy: 1.113499555185475
Energy: 1.2823296775078685
Energy: 1.338862933111725
Energy: 1.1821888101614095
Energy: 1.4625946092992355
Energy: 1.1822037917323895
Energy: 1.369957034436277
Energy: 1.4648320085124673
Energy: 1.3117108504647466
Energy: 1.5099384470582269
Energy: 1.3372149732586538
Energy: 1.5526588857347055
Energy: 1.2091808641578958
Energy: 1.552659049899398
Energy: 1.5480270706519457
Energy: 1.143515153365021
Energy: 1.3168286793505168
Energy: 1.1386106279607169
Energy: 1.567503802303186
Energy: 1.2082074476097535
Energy: 1.1478859947575322
Energy: 1.2082071617198367
Energy: 1.4992308470237157
Energy: 1.159994242273446
Energy: 1.1772070977427378
Energy: 1.1599790529779213
Energy: 1.5883180443658416
Energy: 1.1719802656507161
Energy: 1.1091845552932984
Energy: 1.1577883020988369
Energy: 1.5587932655420353
Energy: 1.4122162008925412
Energy: 1.4465138713041001
Energy: 1.412221396868823
Energy: 1.1297550072272553
Energy: 1.4405138292325939
Energy: 1.6159692343404117
Energy: 1.440511627385369
Energy: 1.2039619626336624
Energy: 1.1811742693609864
Energy: 1.4613953291502428
Energy: 1.1812301167743007
Energy: 1.1498727991585214
Energy: 1.1907062552381158
Energy: 1.4556104238811505
Energy: 1.1907063843316408
Energy: 1.226416157277796
Energy: 1.4292711132867135
Energy: 1.595212189820953
Energy: 1.4292888203186889
Energy: 1.3448464711149881
Energy: 1.6503849493096334
Energy: 1.3180587167198043
Energy: 1.6503849493042886
Energy: 1.3482370359596951
Energy: 1.1437266545239626
Energy: 1.1043748533954534
Energy: 1.1571172623784454
Energy: 1.4749223900106303
Energy: 1.1447936730543462
Energy: 1.1089952147502526
Energy: 1.144791847641413
Energy: 1.2001421819592515
Energy: 1.211482829400549
Energy: 1.1487224119466308
Energy: 1.211690667505673

minimum gb energy = 1.1038525535459298 eV
minimum distance =  2.23221923908219 Angstroms
sigma value = 1


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

Energy: 2.1965951744592807
Energy: 1.1190557919068775
Energy: 1.29780467821624
Energy: 1.0940130485205022
Energy: 1.5877156365355858
Energy: 1.0666578812012495
Energy: 1.356872602667604
Energy: 1.0677394145369987
Energy: 1.3350513671149125
Energy: 1.190958129718672
Energy: 1.4388390793156627
Energy: 1.1973265544988796
Energy: 1.2931137747383075
Energy: 1.42419010223664
Energy: 1.3604669478118878
Energy: 1.42199385905335
Energy: 1.2437138346529708
Energy: 1.0970144451170765
Energy: 1.6273830609355797
Energy: 1.1043766767576109
Energy: 1.0929639007594147
Energy: 1.110569212982847
Energy: 1.5883744643480013
Energy: 1.1105632515223156
Energy: 1.152439494685072
Energy: 1.1260776637366374
Energy: 1.5894976410121429
Energy: 1.1135622742545523
Energy: 1.0721080102232277
Energy: 1.510150561279652
Energy: 1.7084279354042538
Energy: 1.5101445675202079
Energy: 1.4351318329873979
Energy: 1.3020301116401394
Energy: 1.606293985271809
Energy: 1.3020031678040227
Energy: 1.8129311218546014
Energy: 1.3353117715972125
Energy: 1.219595493046161
Energy: 1.335312252779185
Energy: 1.4188115696942818
Energy: 1.267670598285372
Energy: 1.2273974379825268
Energy: 1.2907023096219283
Energy: 1.6926814206444987
Energy: 1.0605718009572704
Energy: 1.1953415476595728
Energy: 1.0605718502983494
Energy: 1.707667727087789
Energy: 1.0677973654924457
Energy: 1.4628924440696083
Energy: 1.067556954205205
Energy: 1.5265869571430675
Energy: 1.5887769437827444
Energy: 1.5593455813722161
Energy: 1.5887769148176025
Energy: 1.2321897258875962
Energy: 1.3297358739915477
Energy: 1.543161012759119
Energy: 1.329735872515135
Energy: 1.2242041686381093
Energy: 1.342346537843665
Energy: 1.509714106685816
Energy: 1.3423467465969707
Energy: 1.186915139406021
Energy: 1.3243206624911363
Energy: 1.4028700308816406
Energy: 1.3263122130074319
Energy: 1.0961916126877917
Energy: 1.0967997366649205
Energy: 1.5583088378516081
Energy: 1.0965142511382393
Energy: 1.1405978508917167
Energy: 1.1196090795414912
Energy: 1.6038879301650886
Energy: 1.121478662200002
Energy: 1.1055751483339635
Energy: 1.4661779783109636
Energy: 1.7203591499313586
Energy: 1.4661729104850918
Energy: 1.5411782522394044
Energy: 1.4067784179658414
Energy: 1.364780818645047
Energy: 1.4067779751381135
Energy: 1.5439683196183096
Energy: 1.1001876306036487
Energy: 1.0730313773732267
Energy: 1.0779961890681544
Energy: 1.4564161755216813
Energy: 1.104499427044567
Energy: 1.0668215984453613
Energy: 1.1499951485990958
Energy: 1.5752479392321959
Energy: 1.1046359542103676
Energy: 1.095058309928686
Energy: 1.101725349230104

minimum gb energy = 1.0605718009572704 eV
minimum distance =  2.23314053981919 Angstroms
sigma value = 17


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

Energy: 1.8907288025429576
Energy: 1.3462215576966166
Energy: 1.2693558218739054
Energy: 1.145160003688863
Energy: 1.6998028979523385
Energy: 1.1206795137772896
Energy: 1.234501833448434
Energy: 1.120673199535478
Energy: 1.4288787349233936
Energy: 1.3823483955172742
Energy: 1.2377018139695206
Energy: 1.3823482905010225
Energy: 1.4366336789914997
Energy: 1.6364745095753053
Energy: 1.2289432761087238
Energy: 1.6364745078741505
Energy: 1.3843347630273133
Energy: 1.111483236655598
Energy: 1.6185210898050124
Energy: 1.1114832641003984
Energy: 1.0556379108321514
Energy: 1.1223639870511835
Energy: 1.7653518390303855
Energy: 1.122364005931656
Energy: 1.0372836600278559
Energy: 1.0989721784784945
Energy: 1.391280812698417
Energy: 1.0989243458619744
Energy: 1.0604168511592513
Energy: 1.1194126989646567
Energy: 1.841500010141842
Energy: 1.1194186501144374
Energy: 1.5241426159242997
Energy: 1.112580098084123
Energy: 1.380975392470877
Energy: 1.1125827031314286
Energy: 1.2592884259482255
Energy: 1.6844648085826495
Energy: 1.2373632410996003
Energy: 1.684464816032886
Energy: 1.5619691544576328
Energy: 1.408511047528855
Energy: 1.108589249651374
Energy: 1.408511067601014
Energy: 1.7043842432074168
Energy: 1.111042555248169
Energy: 1.2310147156297844
Energy: 1.111048171831471
Energy: 1.7401469420308202
Energy: 1.0860668250732048
Energy: 1.0763686260981287
Energy: 1.086021617659084
Energy: 1.3894634115985438
Energy: 1.1332259191437213
Energy: 1.0409484129038125
Energy: 1.1332259179532804
Energy: 1.4361251379662652
Energy: 1.1296756283422218
Energy: 1.0521226880275953
Energy: 1.1296778664118794
Energy: 1.642481442414207
Energy: 1.4407769203168383
Energy: 1.3682480940710948
Energy: 1.4407769198719729
Energy: 1.0685673528014492
Energy: 1.7255817357861598
Energy: 1.6435682110731304
Energy: 1.7255817357822445
Energy: 1.0434049181784515
Energy: 1.1380401167307042
Energy: 1.649071956863324
Energy: 1.1380401312345403
Energy: 1.0692087599633662
Energy: 1.1007986055033223
Energy: 1.6601951538309039
Energy: 1.1007822183605303
Energy: 1.1927070357037879
Energy: 1.140654073909313
Energy: 1.8475435626164223
Energy: 1.1406541389448601
Energy: 1.2650568226240881
Energy: 1.3159071755554288
Energy: 1.6647116779573012
Energy: 1.3159083694759948
Energy: 1.2507241851147857
Energy: 1.3474000745947963
Energy: 1.428033177926045
Energy: 1.3474002387096966
Energy: 1.2372868353869924
Energy: 1.6129786844769092
Energy: 1.4370472511098031
Energy: 1.6129786852694092
Energy: 1.6254893373924841
Energy: 1.1078881314521334
Energy: 1.3819610363759454
Energy: 1.1272529493425454
Energy: 1.7034413691052195
Energy: 1.1033604940168886
Energy: 1.0568917125508461
Energy: 1.1033604901039233
Energy: 1.5025690405337573
Energy: 1.135661041418474
Energy: 1.0583372132563271
Energy: 1.135661046752766
Energy: 1.8884023175406672
Energy: 1.1796984206912233
Energy: 1.0651224495770721
Energy: 1.1796983985663592
Energy: 1.6614302945340509
Energy: 1.3340729123857051
Energy: 1.5255563939369392
Energy: 1.3340728219072227
Energy: 1.2310829059970891
Energy: 1.3349346998253502
Energy: 1.3145288831183808
Energy: 1.3342040667803117
Energy: 1.1125944717927267
Energy: 1.4047052578380987
Energy: 1.566073801597395
Energy: 1.4047054344764454
Energy: 1.237874983328949
Energy: 1.1266547300474132
Energy: 1.7389691171986235
Energy: 1.1266547233499307
Energy: 1.0775647466783969
Energy: 1.1164429458903364
Energy: 1.7802418384320815
Energy: 1.116442929127765
Energy: 1.0787732909358723
Energy: 1.1104613702833155
Energy: 1.6662001427042759
Energy: 1.1104613441150342
Energy: 1.056760644960533
Energy: 1.1236520791807756
Energy: 1.509810163928882
Energy: 1.123652582662122
Energy: 1.483712172803114
Energy: 1.3504090560046969
Energy: 1.730329812029049
Energy: 1.3504092933221836
Energy: 1.6703127091954697
Energy: 1.435203822204841
Energy: 1.0673299483996719
Energy: 1.4352307694976794
Energy: 1.6544140030634529
Energy: 1.1586885480622708
Energy: 1.1022931065632513
Energy: 1.1586869564044482
Energy: 1.673705708525227
Energy: 1.1187551054745586
Energy: 1.0762657088974077
Energy: 1.1187549994394885

minimum gb energy = 1.0372836600278559 eV
minimum distance =  2.22705886207895 Angstroms
sigma value = 89


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

Energy: 2.3377894220893762
Energy: 0.973643668475152
Energy: 1.1536292604401712
Energy: 1.8200617017109653
Energy: 1.4085958726372836
Energy: 1.0465965780765345
Energy: 0.9669321786024991
Energy: 1.0438811006953241
Energy: 0.9334418540218195
Energy: 1.0390041335540532
Energy: 1.001828888845443
Energy: 1.0391723987202879
Energy: 0.9323178218955143
Energy: 1.0524762779068617
Energy: 0.9498811159434007
Energy: 1.0332698710190629
Energy: 0.971300179908049
Energy: 1.0563797433040336
Energy: 1.4075878196703306
Energy: 0.934714331317313
Energy: 0.9615897419161529
Energy: 0.9650421668600037
Energy: 1.3977866239874648
Energy: 0.964310653596213
Energy: 0.9576035478153425
Energy: 1.046548207976564
Energy: 0.9503337161510425
Energy: 1.046536557824897
Energy: 0.9805604758884252
Energy: 0.9811778066754174
Energy: 0.9930915004184003
Energy: 0.9836616678653163
Energy: 1.4190224247289078
Energy: 1.0320164705526813
Energy: 1.802276454180187
Energy: 1.0307757217231501
Energy: 0.9758291971869301
Energy: 1.04113346079682
Energy: 0.9660310000732701
Energy: 1.045419451391282
Energy: 1.3946649477516664
Energy: 1.0326786352399424
Energy: 0.9207377623312328
Energy: 1.032472696614603
Energy: 1.4367674787347122
Energy: 1.0333152863479669
Energy: 0.9633283731776711
Energy: 0.9517434054233
Energy: 1.4049322037030312
Energy: 0.945384291464917
Energy: 0.9897816190785733
Energy: 0.9660213037348864
Energy: 0.9378168300029082
Energy: 0.9584865118133088
Energy: 0.9495853315942125
Energy: 0.9404318041310918
Energy: 1.0080706645569328
Energy: 0.9653014719110341
Energy: 0.9828458969778187
Energy: 0.9771773411463373

minimum gb energy = 0.9207377623312328 eV
minimum distance =  2.22777685229582 Angstroms
sigma value = 13


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

Energy: 1.9839109233898862
Energy: 1.2139853935108595
Energy: 1.135025930517245
Energy: 1.007378189311928
Energy: 1.6374692627194531
Energy: 0.9528734334856953
Energy: 1.1098394135586964
Energy: 0.935802924616288
Energy: 1.6514017639255398
Energy: 1.1981667867578545
Energy: 1.1154085576968014
Energy: 1.198164926920358
Energy: 1.3438400577368856
Energy: 1.3512602944514323
Energy: 1.2941153498004534
Energy: 1.3512602895006054
Energy: 1.2869340089647652
Energy: 1.3363803869432531
Energy: 1.4996519264586077
Energy: 1.3363803929870635
Energy: 1.1026570383631087
Energy: 1.2060539197543334
Energy: 1.5144473812266968
Energy: 1.20605462593111
Energy: 1.1048593533696893
Energy: 1.19019362900191
Energy: 1.6172995814147204
Energy: 1.1901935413622309
Energy: 1.1027288235348618
Energy: 0.9921842711383396
Energy: 1.8836390289355789
Energy: 0.9921842558303844
Energy: 0.92115971191111
Energy: 0.9649579664638556
Energy: 1.8053879265733794
Energy: 0.9649577712297992
Energy: 0.8743511117544984
Energy: 0.9474036467601376
Energy: 1.6213136344592596
Energy: 0.9473910151105699
Energy: 0.9052486472270692
Energy: 1.5174060332493993
Energy: 1.8296123420471984
Energy: 1.517406036036313
Energy: 1.4856431587582433
Energy: 1.182738877876489
Energy: 1.632249537447829
Energy: 1.1827431408897897
Energy: 1.4992422396932752
Energy: 1.4232061433443828
Energy: 1.4472182582683828
Energy: 1.4232061440740145
Energy: 1.4879536629502175
Energy: 1.545115795216673
Energy: 1.3239921891771602
Energy: 1.5451157952095165
Energy: 1.8818548503102315
Energy: 0.9937505644001471
Energy: 1.2775401585374804
Energy: 0.9937398600533537
Energy: 1.8495063381807806
Energy: 0.9493167467034547
Energy: 0.9158826038193564
Energy: 0.9451976126945386
Energy: 1.636271408755675
Energy: 0.9248563194927214
Energy: 0.8804370162914454
Energy: 0.9248563722058393
Energy: 1.733198393438851
Energy: 0.9836532155542917
Energy: 0.9440353350743953
Energy: 0.983650046896144
Energy: 1.817690126369173
Energy: 0.9579239926845317
Energy: 1.131784873938891
Energy: 0.9579234424203492
Energy: 1.611550197933196
Energy: 1.188736412478269
Energy: 1.1147660924003635
Energy: 1.1887339053561812
Energy: 1.4146266374390664
Energy: 1.6706060288072422
Energy: 1.124907316956639
Energy: 1.670606029069103
Energy: 1.27359061907759
Energy: 1.1817451445050824
Energy: 1.5015051907872539
Energy: 1.181745086130178
Energy: 1.1321315880192901
Energy: 1.2138767299581514
Energy: 1.4984093760509476
Energy: 1.2138767854216852
Energy: 0.869942976346101
Energy: 1.2019586403126805
Energy: 1.4291245412916773
Energy: 1.2019584595439412
Energy: 1.121955431327351
Energy: 0.9862194430367578
Energy: 1.8739734806514976
Energy: 0.9862194426018412
Energy: 0.9510376076454488
Energy: 0.9520799431456523
Energy: 1.88550063759793
Energy: 0.952079539654246
Energy: 0.873466770992308
Energy: 0.8924554124631888
Energy: 1.4291283735639864
Energy: 0.8903052586222752
Energy: 0.957220487523357
Energy: 0.9823406953762035
Energy: 1.7009151567052028
Energy: 0.9823395529611818
Energy: 1.4352707687108777
Energy: 0.9248743945072372
Energy: 1.6392212543003015
Energy: 0.9224991380354837
Energy: 1.1062726077865004
Energy: 1.5371875370337835
Energy: 1.2924434563115343
Energy: 1.537187557446364
Energy: 1.4782856520337637
Energy: 1.5431360452123628
Energy: 1.3330116873145812
Energy: 1.5431360453089098
Energy: 1.8717162419454287
Energy: 0.9967616733969359
Energy: 1.2815519057949851
Energy: 0.9967617794440904
Energy: 1.86593974163444
Energy: 1.0033657893360752
Energy: 0.9153958572592705
Energy: 0.9850842936219592
Energy: 1.7830626735775839
Energy: 0.9323737384593225
Energy: 0.8680069983484009
Energy: 0.9323737316573192
Energy: 2.0405025690488827
Energy: 0.9901614384308662
Energy: 0.9449063812832317
Energy: 0.9901583527362479

minimum gb energy = 0.8680069983484009 eV
minimum distance =  2.22382028305756 Angstroms
sigma value = 37


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

Energy: 1.751849777867862
Energy: 0.9367037537541
Energy: 1.0676554045444446
Energy: 0.8233114893049159
Energy: 1.5198190615120932
Energy: 1.1948192516105758
Energy: 1.2035686555465839
Energy: 1.1948312721557206
Energy: 1.645152234530282
Energy: 1.1977011938909703
Energy: 1.201123581966687
Energy: 1.1986081612575439
Energy: 1.661705721398424
Energy: 1.2389153525288528
Energy: 1.3070058710905241
Energy: 1.2377818297671144
Energy: 1.603842149850198
Energy: 1.2392716343498338
Energy: 1.4007016804121313
Energy: 1.2392716999839837
Energy: 0.9998371467827794
Energy: 1.0832437608784145
Energy: 1.8046908234305254
Energy: 1.083243244015131
Energy: 0.9977288037449427
Energy: 1.0211094780059458
Energy: 1.4696055797961087
Energy: 1.0299385436852566
Energy: 1.1842841826774673
Energy: 1.0771867218810918
Energy: 1.958512287980819
Energy: 1.0771872310143928
Energy: 1.0727492832764511
Energy: 0.7932527576526348
Energy: 1.9343645819379458
Energy: 0.7939145854381916
Energy: 0.9655543850998431
Energy: 1.0364406153053414
Energy: 1.4971889432908252
Energy: 1.0364407211007498
Energy: 0.9438897973526948
Energy: 0.981628270829847
Energy: 1.6970701841882625
Energy: 0.9803863767497509
Energy: 1.3520236737637574
Energy: 1.3815765882812867
Energy: 1.4994048863069243
Energy: 1.3815765842790542
Energy: 1.4530567246986952
Energy: 1.3876184325760739
Energy: 1.629330136429161
Energy: 1.3876184323606906
Energy: 1.4850669992745786
Energy: 1.4399706562223207
Energy: 1.6573160574546306
Energy: 1.4399706568339954
Energy: 1.4007016797783223
Energy: 1.0898966598713353
Energy: 1.4508030256137607
Energy: 1.0907373729841716
Energy: 1.8187222429040257
Energy: 1.0883827988663266
Energy: 1.000869360018647
Energy: 1.0874885756143577
Energy: 1.6224300099552926
Energy: 1.2359591609126033
Energy: 0.9952787802586576
Energy: 1.2359591604880211
Energy: 1.804705997547385
Energy: 0.8316465865761574
Energy: 1.0059421411350915
Energy: 0.8540038808908273
Energy: 1.9343645811256907
Energy: 0.8091672656372337
Energy: 0.9101700619699848
Energy: 0.8017788409613316
Energy: 1.643553418203007
Energy: 0.7902668378009269
Energy: 0.8182288745585584
Energy: 0.7980576837623271

minimum gb energy = 0.7902668378009269 eV
minimum distance =  2.23029498506055 Angstroms
sigma value = 25


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

Energy: 1.9838139358869151
Energy: 0.7960220402567655
Energy: 0.9868258602907545
Energy: 0.8662402942747582
Energy: 1.758578541908829
Energy: 1.0175940424082783
Energy: 0.9835951592363739
Energy: 1.0202244766494721
Energy: 1.8731779721272628
Energy: 1.0094986441931797
Energy: 0.9834112439798858
Energy: 1.014377108294209
Energy: 1.4814459801786704
Energy: 1.0965718207457869
Energy: 1.4783760910344235
Energy: 1.0965719806013081
Energy: 1.7398334140843794
Energy: 1.3568655766309106
Energy: 1.5612445036851201
Energy: 1.3568682249785757
Energy: 1.404667930442217
Energy: 1.3482674831520127
Energy: 1.5445265446958476
Energy: 1.348267483152974
Energy: 1.436711781600844
Energy: 1.3581475496891655
Energy: 1.6190399135993352
Energy: 1.3581475665828042
Energy: 1.3702305350094584
Energy: 0.962727116255864
Energy: 1.7110565593507099
Energy: 0.963558148251296
Energy: 0.9744908833393354
Energy: 0.9296033915688128
Energy: 1.6569774142194997
Energy: 0.9295358292638489
Energy: 0.9637484263542102
Energy: 0.9352189705802547
Energy: 1.726712422240822
Energy: 0.9352191167576653
Energy: 0.9186237072576969
Energy: 0.9751455581980959
Energy: 1.8571757980719639
Energy: 0.9750713690983455
Energy: 0.8425723012827175
Energy: 0.8599100896651132
Energy: 1.734730811379656
Energy: 0.859796819089238
Energy: 0.8846007644454803
Energy: 0.6388023809742073
Energy: 1.76604628238527
Energy: 0.6442762376995149
Energy: 1.1280481331176666
Energy: 0.7915957792727502
Energy: 1.8487456509913631
Energy: 0.8113014139866563
Energy: 1.1463449440488562
Energy: 1.215736732232324
Energy: 1.7488282013192162
Energy: 1.2157367326868653
Energy: 1.195330311613777
Energy: 1.2289906884336201
Energy: 1.877197418215926
Energy: 1.2289906898981953
Energy: 1.493957866705531
Energy: 1.241499045449744
Energy: 1.9194368680264657
Energy: 1.2414990057897874
Energy: 1.1841549106871694
Energy: 1.2344234164483476
Energy: 1.8415376331823852
Energy: 1.2344259344089477
Energy: 1.5258537643083983
Energy: 1.2375070554113197
Energy: 1.4792754887369484
Energy: 1.2375070567653734
Energy: 1.741571708178197
Energy: 1.240099649722547
Energy: 1.4230437884334362
Energy: 1.2400998759540598
Energy: 1.7161597975660399
Energy: 1.1119417372491516
Energy: 0.9961339530352016
Energy: 1.1119473050417863
Energy: 1.747081235931228
Energy: 1.0461382645516197
Energy: 0.8405475492906008
Energy: 1.0461368387259289
Energy: 1.9814321290673895
Energy: 0.6532330213163556
Energy: 1.002021082927811
Energy: 0.6893018018296142
Energy: 1.73913029934825
Energy: 0.8039031413890141
Energy: 0.7730043294192953
Energy: 0.7571197199518795
Energy: 1.8577634868609418
Energy: 0.6979580773912692
Energy: 0.6622172758637794
Energy: 0.6979491563899891
Energy: 1.903573113980201
Energy: 0.8134190733739934
Energy: 0.7635805076095821
Energy: 0.8134976539353632

minimum gb energy = 0.6388023809742073 eV
minimum distance =  2.22097969355933 Angstroms
sigma value = 41


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

Energy: 2.0183379580381158
Energy: 1.003886524398017
Energy: 0.9293030567630916
Energy: 0.7441277650940261
Energy: 1.8968691179876154
Energy: 0.9210210120005266
Energy: 0.9074959391987321
Energy: 0.9210216179105399
Energy: 1.8835959473159058
Energy: 0.9378403764134455
Energy: 0.9308778105257126
Energy: 0.9378216398319716
Energy: 1.5848382860228214
Energy: 0.980026172854349
Energy: 1.298210382867096
Energy: 0.9838628662877207
Energy: 1.9160730685654905
Energy: 1.2235662472567896
Energy: 1.344372098538869
Energy: 1.2235662469179978
Energy: 1.5797483911275263
Energy: 1.2406636351960982
Energy: 1.370818585241699
Energy: 1.240663635221321
Energy: 1.5491649777681433
Energy: 1.2403483184550113
Energy: 1.693957943782304
Energy: 1.2403483185140565
Energy: 1.5064286669986107
Energy: 1.2655076645943049
Energy: 1.3824580115945482
Energy: 1.265507665739805
Energy: 1.1849044113627847
Energy: 1.217469942899272
Energy: 1.6948170521568333
Energy: 1.2174699429008486
Energy: 1.139752896374962
Energy: 1.206921640432034
Energy: 1.902814734064073
Energy: 1.2069217070118612
Energy: 0.9137745642956535
Energy: 0.9768044880988374
Energy: 1.774524798293979
Energy: 0.9768033163435926
Energy: 0.9013824859778756
Energy: 0.9548891139399961
Energy: 1.9188252151263123
Energy: 0.9548890481960416
Energy: 0.8959389607383641
Energy: 0.6041530204685636
Energy: 1.9081797282338029
Energy: 0.6449083336248518
Energy: 0.7129425556820653
Energy: 0.7519413479648476
Energy: 1.7929332969653693
Energy: 0.7519397243181567
Energy: 0.5880013580776552
Energy: 0.6664758183703593
Energy: 1.904759331529502
Energy: 0.6664757954566971
Energy: 0.705881356806185
Energy: 0.7016881851999551
Energy: 1.9524344237100262
Energy: 0.6531460773494031
Energy: 0.9245251612212465
Energy: 0.7476836781030342
Energy: 1.9561451265666892
Energy: 0.7475349152011764
Energy: 0.8748024717998073
Energy: 0.9466004894400621
Energy: 1.90495414929051
Energy: 0.9465929111860736
Energy: 0.9127110231061251
Energy: 0.9998155925348998
Energy: 1.5462333622114395
Energy: 0.9998053636732769
Energy: 1.2884819073145435
Energy: 1.2059171020921293
Energy: 1.5376882069970843
Energy: 1.20591710146578
Energy: 1.3654929655747698
Energy: 1.2402645802367458
Energy: 1.700334871138711
Energy: 1.240264553587775
Energy: 1.3621024573065197
Energy: 1.2387536694059638
Energy: 1.561824170374192
Energy: 1.2387536693626116
Energy: 1.6896352764720195
Energy: 1.2290648553437202
Energy: 1.5198438054428305
Energy: 1.2290648553815549
Energy: 1.3694640908455433
Energy: 1.2284882806409378
Energy: 1.3295755985952684
Energy: 1.2284881896481086
Energy: 1.6750555440163186
Energy: 1.2291408919872782
Energy: 1.170988628777306
Energy: 1.229140880847563
Energy: 1.7454630776259459
Energy: 1.2084661078799088
Energy: 1.3097910385329958
Energy: 1.2084661083203094
Energy: 1.7741861841982542
Energy: 0.9651844745858601
Energy: 0.9307579777742756
Energy: 0.9633584983527983
Energy: 1.9029326715778152
Energy: 0.9594972305238995
Energy: 0.8758616838361201
Energy: 0.9594972304853483
Energy: 1.7644601204946835
Energy: 0.733275387047497
Energy: 0.9095864466464352
Energy: 0.7496899755653824
Energy: 1.7797564722742383
Energy: 0.7224440083590868
Energy: 0.7202144534942928
Energy: 0.7224368362929708
Energy: 1.9214883305734178
Energy: 0.6115378057390732
Energy: 0.5864247465248688
Energy: 0.6115375794711468
Energy: 1.9612579716449137
Energy: 0.7390954952601478
Energy: 0.7034905180311395
Energy: 0.7398928092224717

minimum gb energy = 0.5864247465248688 eV
minimum distance =  2.22204053683497 Angstroms
sigma value = 15


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

Energy: 1.7928994743018019
Energy: 0.6884355509799219
Energy: 0.8885500715418168
Energy: 0.7158452794889977
Energy: 2.0255878592951873
Energy: 0.8182160623162523
Energy: 0.815731469880331
Energy: 0.8182171731481166
Energy: 2.0107144716914087
Energy: 0.8490601212821515
Energy: 0.836500706907274
Energy: 0.8488456739598694
Energy: 1.7534725068466823
Energy: 0.9067594436361698
Energy: 1.1452453506441984
Energy: 0.9067348199738067
Energy: 2.0646752001687387
Energy: 1.1030968396447929
Energy: 1.2008042552381355
Energy: 1.1030968398383751
Energy: 1.6817099139880642
Energy: 1.1081052793090516
Energy: 1.2263546388380344
Energy: 1.1081052871994834
Energy: 1.3689817981576753
Energy: 1.135341639408648
Energy: 1.4878944335475965
Energy: 1.1353416420891147
Energy: 1.6811775334090369
Energy: 1.1486064812198697
Energy: 1.2187500217424545
Energy: 1.148606481034968
Energy: 1.3963966641699337
Energy: 1.121264897023261
Energy: 1.5848988622618274
Energy: 1.1212648970072354
Energy: 1.3667424989386265
Energy: 1.1398954400560206
Energy: 1.8365242243896398
Energy: 1.1398954400820624
Energy: 1.2019569506258574
Energy: 1.1691456636702644
Energy: 1.5812404711424755
Energy: 1.1691456636062225
Energy: 1.0137264219064155
Energy: 1.1043488262487733
Energy: 1.8428208609652446
Energy: 1.10434882619669
Energy: 1.1717377116849248
Energy: 1.1027155368098622
Energy: 1.849025604998112
Energy: 1.102715536908019
Energy: 0.8436971915120948
Energy: 1.1523602204906043
Energy: 1.5735938157891873
Energy: 1.1523602198692475
Energy: 0.7884600926789178
Energy: 0.8700826450112186
Energy: 2.003367953978594
Energy: 0.8700985445043622
Energy: 0.8148108331494754
Energy: 0.7156547924467611
Energy: 1.8861304676676278
Energy: 0.6388708123367614
Energy: 0.6449335729475175
Energy: 0.7223991933431303
Energy: 1.8977533802756508
Energy: 0.7223992098955915
Energy: 0.5543213593497923
Energy: 0.5834250163984094
Energy: 2.015768778087852
Energy: 0.5752511712622295
Energy: 0.6554036352595117
Energy: 0.7658685896737364
Energy: 1.7524961811909132
Energy: 0.765868608933981
Energy: 0.8489765126391724
Energy: 0.6980234575329124
Energy: 2.0305440133751973
Energy: 0.702201671183381
Energy: 0.7965230258389973
Energy: 0.8364468762320955
Energy: 2.0440827226812077
Energy: 0.8364466972019541
Energy: 0.8355248955761414
Energy: 0.909750592144268
Energy: 1.765376630331777
Energy: 0.9100398222935723
Energy: 1.1856349774455417
Energy: 0.9209759708537963
Energy: 1.695784372208352
Energy: 0.9206253518603943
Energy: 1.2138141443821013
Energy: 1.1125383103785649
Energy: 1.8694850528953504
Energy: 1.1125383112008491
Energy: 1.2094492195544368
Energy: 1.1457044377419576
Energy: 1.4050917552549835
Energy: 1.1457044353925652
Energy: 1.499854427952061
Energy: 1.138874786335941
Energy: 1.8405408574902682
Energy: 1.138874786315909
Energy: 1.2071865779806277
Energy: 1.1171556891443488
Energy: 1.5250775895225575
Energy: 1.1171556769682776
Energy: 1.6706641335397565
Energy: 1.1570741723533935
Energy: 1.3956360780763746
Energy: 1.1570741728733764
Energy: 1.5406898183971707
Energy: 1.1362900585353752
Energy: 1.5040895382787907
Energy: 1.1362900585733755
Energy: 1.5755993638967392
Energy: 1.1205333737699792
Energy: 1.222674930124634
Energy: 1.120533372035995
Energy: 2.012133911838792
Energy: 1.116710007279802
Energy: 1.0162139006531319
Energy: 1.116710007494084
Energy: 1.5709654014641956
Energy: 0.9169174489227626
Energy: 1.1603781935464632
Energy: 0.9169191684030211
Energy: 1.8794867231669572
Energy: 0.8702351150569624
Energy: 0.8507695491566488
Energy: 0.8702351346222399
Energy: 2.0386572110515657
Energy: 0.8585838284136214
Energy: 0.7759467423201533
Energy: 0.8585838433061562
Energy: 1.942455448282246
Energy: 0.6972487794267235
Energy: 0.811768097700725
Energy: 0.697297538420671
Energy: 2.013187080357535
Energy: 0.6004531090771745
Energy: 0.5265918473873523
Energy: 0.6010053787453347
Energy: 2.0190010399779865
Energy: 0.5971112058681834
Energy: 0.5826165959283527
Energy: 0.5971378813394074

minimum gb energy = 0.5265918473873523 eV
minimum distance =  2.24072629911477 Angstroms
sigma value = 85


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

Energy: 1.9369393512493835
Energy: 0.5979820363000786
Energy: 0.815313570086636
Energy: 0.6558131896689093
Energy: 2.1136396486643347
Energy: 0.7093919851825194
Energy: 0.7068105258475329
Energy: 0.7081384104262036
Energy: 1.8559847815665993
Energy: 0.7081641138540836
Energy: 0.7294353317431883
Energy: 0.7081732345753755
Energy: 1.6138303630205744
Energy: 0.7968184678779416
Energy: 1.0355292966928031
Energy: 0.7739567306774919
Energy: 2.082027783001907
Energy: 0.9718941835176562
Energy: 1.0597564349194368
Energy: 0.9718941889781394
Energy: 1.6076861910329625
Energy: 0.9929344983840143
Energy: 1.0860652720706678
Energy: 0.9928331561741508
Energy: 1.6027041420915176
Energy: 1.0316431191552322
Energy: 1.3174862116773438
Energy: 1.0316432013310104
Energy: 1.7720784062801178
Energy: 1.0173112837030442
Energy: 1.1561875588061268
Energy: 1.017306477626618
Energy: 1.6250532043025332
Energy: 1.0328235701496038
Energy: 1.3958416383646457
Energy: 1.0328235702219684
Energy: 1.5942702509825146
Energy: 1.0356864515006272
Energy: 1.6217351419716177
Energy: 1.0356864514919404
Energy: 1.3607751236977916
Energy: 1.03615974172831
Energy: 1.4707748274636445
Energy: 1.0361597398857647
Energy: 1.28922672766376
Energy: 1.0079897315250157
Energy: 1.6373334266190582
Energy: 1.0079897152002946
Energy: 1.3437689126311716
Energy: 1.0197228653718393
Energy: 1.708199030626823
Energy: 1.0197228561290252
Energy: 1.0754236382403055
Energy: 1.0314716885831607
Energy: 1.4602417912547632
Energy: 1.0314716587493544
Energy: 1.0014298064619083
Energy: 0.9736910556096603
Energy: 1.9446632078566846
Energy: 0.9736921328743513
Energy: 1.0404576659471745
Energy: 0.6474070096967345
Energy: 1.7453587242084
Energy: 0.6440765486682347
Energy: 0.721924755187331
Energy: 0.6947799878764261
Energy: 1.7633496897254843
Energy: 0.6947610515480183
Energy: 0.6551191063976657
Energy: 0.6200329044431604
Energy: 2.0076507445829894
Energy: 0.6156708492811818
Energy: 0.7425621110721558
Energy: 0.6768100077702149
Energy: 2.030899965249673
Energy: 0.6708795282455972
Energy: 0.662802212927389
Energy: 0.610221183139306
Energy: 2.029142151947286
Energy: 0.6231899117910221
Energy: 0.5924669857163926
Energy: 0.6415252586959461
Energy: 2.0848606425898817
Energy: 0.6207291717771047
Energy: 0.6656664342880736
Energy: 0.5879221887086
Energy: 1.8455776418530283
Energy: 0.5882274845734782
Energy: 0.8146593126226808
Energy: 0.462932647664151
Energy: 2.071104479113361
Energy: 0.48339993908031686
Energy: 0.808448901687056
Energy: 0.8831362693793163
Energy: 2.074272869128083
Energy: 0.8831362772866637
Energy: 0.8344322137437145
Energy: 0.8628794234760014
Energy: 1.6214847585501284
Energy: 0.8629264653576801
Energy: 1.0451775282429034
Energy: 0.8869956475719514
Energy: 2.0764644889318107
Energy: 0.886995635122195
Energy: 1.0454389785476212
Energy: 0.8693767716584974
Energy: 1.8474052991973684
Energy: 0.8693660370612826
Energy: 1.3166020349481455
Energy: 0.9477812154218143
Energy: 1.6279776166205964
Energy: 0.9477716415403327
Energy: 1.378283307922294
Energy: 1.0174057715980152
Energy: 1.8598726665114462
Energy: 1.0174057701415633
Energy: 1.4004256668962383
Energy: 1.0087694637573679
Energy: 1.5981183089243074
Energy: 1.0087694620913774
Energy: 1.627604077227965
Energy: 1.0298927168020486
Energy: 1.3016337480459224
Energy: 1.029892696788183
Energy: 1.4630729001641196
Energy: 1.0380665900046777
Energy: 1.6134619173429816
Energy: 1.0380665962275288
Energy: 1.6585315701828416
Energy: 1.0190255827944676
Energy: 1.3105664927214835
Energy: 1.0190255841085065
Energy: 1.9224757352484942
Energy: 1.021284740800649
Energy: 1.2857953338108772
Energy: 1.0212847407913832
Energy: 1.465402998444434
Energy: 0.9939805690065788
Energy: 1.2939196670321687
Energy: 0.9936363690932907
Energy: 1.9454084146343797
Energy: 0.968227480487672
Energy: 1.0808686304397133
Energy: 0.9682255100475997
Energy: 1.992195553761351
Energy: 0.9848450181939848
Energy: 1.0480686232030554
Energy: 0.9848445726372587
Energy: 1.777848046026643
Energy: 0.8121238571607261
Energy: 0.7395906042706247
Energy: 0.8114565462538916
Energy: 2.1102134778698725
Energy: 0.7010742157310934
Energy: 0.6989231707910969
Energy: 0.7010729714155349
Energy: 2.0130755917287066
Energy: 0.49065151221615105
Energy: 0.7419920867207823
Energy: 0.47998307074391106
Energy: 1.7670261844611714
Energy: 0.5604265698052353
Energy: 0.573207821149272
Energy: 0.5681385831257251
Energy: 2.082002235660493
Energy: 0.4653930291637089
Energy: 0.47216774294483943
Energy: 0.4652818053115628
Energy: 1.899375511001701
Energy: 0.4980219174380006
Energy: 0.5563421244751988
Energy: 0.5152904453393233

minimum gb energy = 0.462932647664151 eV
minimum distance =  2.22589411326052 Angstroms
sigma value = 113


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

Energy: 0.018526692316971165
Energy: 0.4574691585954773
Energy: 1.5175909115445054
Energy: 0.019192656113327912
Energy: 1.7572923942538088
Energy: 0.24005281538567222
Energy: 1.3003623752010762
Energy: 0.24005286462905764
Energy: 0.11180410896329736
Energy: 0.1965793920879767
Energy: 1.3579233265926403
Energy: 0.19778402584389998
Energy: 0.020754172653084126
Energy: 0.17909573101493187
Energy: 1.274483629421021
Energy: 0.17910602676049694
Energy: 1.83798497393877
Energy: 0.1880070957148769
Energy: 1.4010506533027909
Energy: 0.19793145584893262
Energy: 0.01912871228800806
Energy: 0.2936633971026795
Energy: 1.2714513162214882
Energy: 0.293663704318621

minimum gb energy = 0.018526692316971165 eV
minimum distance =  2.26275537957003 Angstroms
sigma value = 1